Molecule Editor

Molecule ID: FYI-1004491 Edit

Molecule Structure InChIKey: DIBFUHLKAXUCBS-ZKXVPKOESA-N

Molecule Structure SMILES String: CC(=O)N[C@@H]2[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](CO)O[C@H]2O[C@@H]9[C@@H](CO)O[C@H](O[C@@H]6[C@H](O)C(O)O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O

Download SDF Download SVG Structure in 2D SDF:

Image not available

FYI-1004491
FYIcenter.com

109117  0  0  1  0  0  0  0  0999 V2000
    1.2124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   16.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   18.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   18.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   20.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   20.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   18.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   20.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   22.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   21.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   18.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   18.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   16.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   18.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   18.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   18.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989   16.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   18.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   16.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   18.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   18.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   20.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   20.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   18.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865   20.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   22.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   23.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   24.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   25.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865   24.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865   23.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   22.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989   22.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989   21.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989   25.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   26.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   25.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   21.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   18.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   16.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  1  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  6  0  0  0
 12 11  1  1  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  1  6  0  0  0
 16 19  1  6  0  0  0
 20 19  1  6  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 25 20  1  0  0  0  0
 24 26  1  6  0  0  0
 27 26  1  0  0  0  0
 23 28  1  1  0  0  0
 29 28  1  1  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 34 29  1  0  0  0  0
 33 35  1  1  0  0  0
 36 35  1  0  0  0  0
 32 37  1  1  0  0  0
 31 38  1  1  0  0  0
 30 39  1  6  0  0  0
 22 40  1  6  0  0  0
 21 41  1  1  0  0  0
 42 41  1  0  0  0  0
 43 42  2  0  0  0  0
 44 42  1  0  0  0  0
 15 45  1  1  0  0  0
 46 45  1  1  0  0  0
 47 46  1  0  0  0  0
 48 47  1  0  0  0  0
 49 48  1  0  0  0  0
 50 49  1  0  0  0  0
 51 50  1  0  0  0  0
 51 46  1  0  0  0  0
 51 52  1  1  0  0  0
 53 50  1  0  0  0  0
 48 54  1  1  0  0  0
 55 54  1  0  0  0  0
 56 55  1  6  0  0  0
 57 56  1  0  0  0  0
 58 57  1  0  0  0  0
 59 58  1  0  0  0  0
 60 59  1  0  0  0  0
 61 60  1  0  0  0  0
 61 56  1  0  0  0  0
 60 62  1  1  0  0  0
 63 62  1  0  0  0  0
 59 64  1  6  0  0  0
 58 65  1  1  0  0  0
 57 66  1  1  0  0  0
 67 66  1  1  0  0  0
 68 67  1  0  0  0  0
 69 68  1  0  0  0  0
 70 69  1  0  0  0  0
 71 70  1  0  0  0  0
 72 71  1  0  0  0  0
 72 67  1  0  0  0  0
 71 73  1  1  0  0  0
 74 73  1  0  0  0  0
 70 75  1  6  0  0  0
 76 75  1  1  0  0  0
 77 76  1  0  0  0  0
 78 77  1  0  0  0  0
 79 78  1  0  0  0  0
 80 79  1  0  0  0  0
 81 80  1  0  0  0  0
 81 76  1  0  0  0  0
 80 82  1  1  0  0  0
 83 82  1  0  0  0  0
 79 84  1  1  0  0  0
 78 85  1  1  0  0  0
 77 86  1  6  0  0  0
 69 87  1  1  0  0  0
 68 88  1  6  0  0  0
 89 88  1  0  0  0  0
 90 89  2  0  0  0  0
 91 89  1  0  0  0  0
 47 92  1  6  0  0  0
 13 93  1  6  0  0  0
 94 93  1  0  0  0  0
  8 95  1  6  0  0  0
 96 95  1  0  0  0  0
  7 97  1  1  0  0  0
 98 97  1  1  0  0  0
 99 98  1  0  0  0  0
100 99  1  0  0  0  0
101100  1  0  0  0  0
102101  1  0  0  0  0
103102  1  0  0  0  0
103 98  1  0  0  0  0
102104  1  1  0  0  0
105104  1  0  0  0  0
101106  1  1  0  0  0
100107  1  1  0  0  0
 99108  1  6  0  0  0
  6109  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004491-3D
FYIcenter.com

210218  0  0  1  0  0  0  0  0999 V2000
    7.6272   -7.4850   -2.9009 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3683   -8.1924   -3.3045 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4997   -7.6562   -3.9830 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3039   -9.4880   -2.8460 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1496  -10.3701   -3.1080 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0983  -10.8393   -4.6070 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1171  -11.8644   -4.7354 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7293  -11.4327   -5.0489 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3985  -11.3004   -6.4454 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2472  -11.8610   -7.4188 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7947  -11.4521   -8.7148 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6116  -12.0820   -9.2188 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2714  -11.5357   -8.6909 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1716  -12.1132   -9.4436 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6978  -13.6148   -9.1659 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4917  -14.2172   -9.6537 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1779  -14.1711   -7.7980 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1280  -14.2341   -6.8086 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4239  -13.3892   -7.3062 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6018  -13.7563   -8.0370 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6027  -10.6662   -4.3909 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2483  -11.3154   -4.5828 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9804  -12.3592   -3.6583 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7623  -10.5925   -3.0045 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8219   -9.7509   -2.6156 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7689   -9.7105   -1.1796 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5343   -9.1623   -0.6323 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8134   -8.9418    0.8613 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8723   -7.8436    1.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4494   -6.5967    0.4911 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6473   -8.6245    1.6385 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5750   -9.5620    1.5265 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8707  -10.8172    2.1372 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3706  -10.7886    3.5051 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6943  -12.2170    4.0431 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5759  -13.1005    3.8194 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0092  -12.2068    5.5637 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2634  -11.6718    5.9409 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9435  -11.5891    6.2853 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7323  -10.2229    5.9101 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4318   -9.6347    6.7159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1919   -9.6526    8.1262 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3200   -9.0667    8.8046 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4682   -9.8678    8.5195 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6643   -9.4363    9.1666 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1705   -8.0809    8.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3517   -7.6813    9.3312 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4373   -9.5303   10.6842 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1445  -10.8969   11.0284 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2544   -8.6460   11.1278 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5715   -7.2597   10.9830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9925   -9.0164   10.3161 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1245   -8.1337   10.4438 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7229   -7.9208   11.7140 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7295   -6.9181   11.5013 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8890   -7.3355   10.7705 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6567   -7.7142    9.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0840   -6.6275    8.5668 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5931   -8.4630   11.5291 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0625   -8.0883   12.8477 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0898   -7.0955   12.8853 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2355   -7.4681   12.1082 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9992   -8.5801   12.6000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3372   -9.9396   12.2911 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0772  -11.0413   12.7894 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4205   -8.3953   14.0684 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1468   -9.5244   14.5582 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2260   -8.0268   14.9674 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3381   -9.1419   15.1551 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4761   -6.8216   14.3644 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2737   -5.6404   14.4737 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6362   -9.6552   11.7387 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4929  -10.4180   10.5419 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3082   -9.2089   12.3885 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5137   -9.0868   13.8420 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4797   -8.9301   14.7273 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9066   -8.8116   16.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6961   -8.8862   14.3859 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3601  -10.1076    4.4246 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2331   -8.7241    4.1053 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1251   -9.6675    0.0565 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4343   -8.3783   -0.3555 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7852   -8.1588   -1.7424 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1467   -6.7828   -1.9707 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4668   -6.3694   -1.5770 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6286   -6.3070   -0.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7205   -5.3531    0.5045 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5556   -7.1964   -2.3022 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5860   -6.7583   -3.6897 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4437   -7.4357   -4.6102 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2470   -6.9627   -5.9623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9177   -5.7374   -6.3291 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1956   -4.4827   -5.7954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8435   -3.2664   -6.1594 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4292   -5.8234   -6.0337 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.1269   -4.6258   -6.3607 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6856   -6.2141   -4.5760 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.3055   -5.1395   -3.7135 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9460   -7.5068   -4.2420 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.5429   -8.6112   -4.9473 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2962   -8.6982   -2.0753 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7185   -9.0707   -0.7634 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8426   -9.1350   -2.3289 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6486   -9.3900   -3.7690 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6686  -10.6713   -4.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6311  -10.7190   -5.8019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4994  -11.6770   -3.5997 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3392  -10.1445   -0.7267 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8541  -10.3748   -2.0294 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5129   -6.4123   -3.0805 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4624   -7.8680   -3.4908 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8148   -7.6413   -1.8354 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1270   -9.8905   -2.4022 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3447  -11.2569   -2.4889 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3832  -10.0187   -5.2737 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5061  -11.9115   -5.6301 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6820  -12.4866   -4.7570 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2254  -11.3778   -7.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5911  -11.8223  -10.2861 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2160  -10.4439   -8.7620 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1263  -11.7981   -7.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0178  -11.5412  -10.2178 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4843  -13.8935   -9.8790 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7258  -13.6058   -9.6139 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4582  -15.2178   -7.9514 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3283  -13.5950   -6.1125 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6128  -13.6665   -6.2656 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7110  -13.1269   -8.7751 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5348   -9.6589   -4.8253 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5591  -10.5138   -4.3881 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0857  -11.6862   -5.5884 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0382  -12.3196   -3.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6450   -8.7417   -2.9994 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3084   -8.2176   -1.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2513   -9.8638    1.2737 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0773   -7.7042    2.1205 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8174   -8.1253    0.5698 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9077   -5.8919    0.9923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2915   -9.1258    2.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3082  -10.2201    3.5048 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5447  -12.6278    3.4862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0285  -13.0238    4.5832 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0227  -13.2453    5.9139 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3553  -10.7693    5.6118 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6299   -9.6392    6.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6130   -8.5974    6.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3271  -10.2299    6.5042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4448   -8.0470    8.4165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4216  -10.1850    8.9020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3725   -8.1354    7.5685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4354   -7.2806    8.7543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1086   -8.0895    8.8727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3509   -9.2524   11.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6501  -11.2908   10.2813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0538   -8.8196   12.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4843   -7.1198   11.3035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6692  -10.0221   10.6024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0215   -7.4475   12.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5279   -6.4472   10.7472 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0014   -8.5696    9.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6111   -7.9683    8.8105 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2340   -6.4532    9.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4421   -8.7928   10.9254 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7087   -6.1578   12.4684 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9306   -8.5780   12.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2006  -10.0630   11.2120 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3575  -10.0336   12.7460 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8462  -11.1415   12.2127 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1180   -7.5482   14.1048 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7355  -10.3330   14.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6079   -7.7740   15.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6804   -9.1106   14.4407 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5581   -6.6553   14.9419 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8753   -5.5981   13.7091 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1181  -10.3528   12.4351 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5686  -10.3966   10.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5803  -10.0184   12.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4487   -9.1908   14.2182 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8514   -9.3342   16.3456 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1452   -9.2699   16.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0201   -7.7578   16.4336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6163  -10.5807    4.2579 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -8.3884    3.7193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6766  -10.4079   -0.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1385   -8.2353   -2.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5463   -5.3347   -1.9384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4462   -7.2573    0.4551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6388   -5.9779    0.2172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8237   -5.7190    0.3641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5219   -6.9224   -1.8644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0742   -8.4667   -4.6788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8359   -5.6638   -7.4232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1698   -4.4473   -6.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1146   -4.4946   -4.7074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7727   -3.1451   -7.1243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8488   -6.6088   -6.6765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7212   -3.9224   -5.8083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7650   -6.3576   -4.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6449   -5.4345   -3.0687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0667   -7.7277   -3.1804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2156   -8.6090   -5.8685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9503   -9.2793   -2.7327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9472   -9.2515   -0.1961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7222  -10.1022   -1.8331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6669   -8.6037   -4.4149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4074  -10.0913   -6.2376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7590  -11.7538   -6.1382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6630  -10.3615   -6.1658 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6703  -11.1284   -0.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5432  -10.0765   -2.6369 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1110  1  0  0  0  0
  1111  1  0  0  0  0
  1112  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4113  1  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  5114  1  1  0  0  0
  6  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6115  1  6  0  0  0
  7116  1  0  0  0  0
  8 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8117  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 10118  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12119  1  6  0  0  0
 13 14  1  0  0  0  0
 13120  1  0  0  0  0
 13121  1  0  0  0  0
 14122  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15123  1  6  0  0  0
 16124  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17125  1  6  0  0  0
 18126  1  0  0  0  0
 19 20  1  0  0  0  0
 19127  1  1  0  0  0
 20128  1  0  0  0  0
 21 24  1  0  0  0  0
 21 22  1  0  0  0  0
 21129  1  6  0  0  0
 22 23  1  0  0  0  0
 22130  1  0  0  0  0
 22131  1  0  0  0  0
 23132  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25133  1  6  0  0  0
 27 28  1  0  0  0  0
 27108  1  0  0  0  0
 27 26  1  0  0  0  0
 27134  1  6  0  0  0
 28 31  1  0  0  0  0
 28 29  1  0  0  0  0
 28135  1  1  0  0  0
 29 30  1  0  0  0  0
 29136  1  0  0  0  0
 29137  1  0  0  0  0
 30138  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 81  1  0  0  0  0
 32139  1  1  0  0  0
 34 35  1  0  0  0  0
 34 79  1  0  0  0  0
 34 33  1  0  0  0  0
 34140  1  1  0  0  0
 35 37  1  0  0  0  0
 35 36  1  0  0  0  0
 35141  1  6  0  0  0
 36142  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37143  1  0  0  0  0
 38144  1  0  0  0  0
 39 40  1  0  0  0  0
 40 79  1  0  0  0  0
 40 41  1  0  0  0  0
 40145  1  1  0  0  0
 41 42  1  0  0  0  0
 41146  1  0  0  0  0
 41147  1  0  0  0  0
 43 44  1  0  0  0  0
 43 52  1  0  0  0  0
 43 42  1  0  0  0  0
 43148  1  6  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 48  1  0  0  0  0
 45149  1  6  0  0  0
 46 47  1  0  0  0  0
 46150  1  0  0  0  0
 46151  1  0  0  0  0
 47152  1  0  0  0  0
 48 50  1  0  0  0  0
 48 49  1  0  0  0  0
 48153  1  1  0  0  0
 49154  1  0  0  0  0
 50 51  1  0  0  0  0
 50 52  1  0  0  0  0
 50155  1  1  0  0  0
 51156  1  0  0  0  0
 52 53  1  0  0  0  0
 52157  1  1  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 54 74  1  0  0  0  0
 54158  1  1  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 56 59  1  0  0  0  0
 56159  1  6  0  0  0
 57 58  1  0  0  0  0
 57160  1  0  0  0  0
 57161  1  0  0  0  0
 58162  1  0  0  0  0
 59 72  1  0  0  0  0
 59 60  1  0  0  0  0
 59163  1  6  0  0  0
 60 61  1  0  0  0  0
 61 62  1  0  0  0  0
 61 70  1  0  0  0  0
 61164  1  6  0  0  0
 62 63  1  0  0  0  0
 63 64  1  0  0  0  0
 63 66  1  0  0  0  0
 63165  1  6  0  0  0
 64 65  1  0  0  0  0
 64166  1  0  0  0  0
 64167  1  0  0  0  0
 65168  1  0  0  0  0
 66 67  1  0  0  0  0
 66 68  1  0  0  0  0
 66169  1  1  0  0  0
 67170  1  0  0  0  0
 68 69  1  0  0  0  0
 68 70  1  0  0  0  0
 68171  1  1  0  0  0
 69172  1  0  0  0  0
 70 71  1  0  0  0  0
 70173  1  1  0  0  0
 71174  1  0  0  0  0
 72 73  1  0  0  0  0
 72 74  1  0  0  0  0
 72175  1  1  0  0  0
 73176  1  0  0  0  0
 74 75  1  0  0  0  0
 74177  1  6  0  0  0
 75 76  1  0  0  0  0
 75178  1  0  0  0  0
 76 77  1  0  0  0  0
 76 78  2  0  0  0  0
 77179  1  0  0  0  0
 77180  1  0  0  0  0
 77181  1  0  0  0  0
 79 80  1  0  0  0  0
 79182  1  6  0  0  0
 80183  1  0  0  0  0
 81108  1  0  0  0  0
 81 82  1  0  0  0  0
 81184  1  6  0  0  0
 82 83  1  0  0  0  0
 83 84  1  0  0  0  0
 83103  1  0  0  0  0
 83185  1  6  0  0  0
 84 85  1  0  0  0  0
 85 86  1  0  0  0  0
 85 88  1  0  0  0  0
 85186  1  6  0  0  0
 86 87  1  0  0  0  0
 86187  1  0  0  0  0
 86188  1  0  0  0  0
 87189  1  0  0  0  0
 88101  1  0  0  0  0
 88 89  1  0  0  0  0
 88190  1  1  0  0  0
 89 90  1  0  0  0  0
 90 91  1  0  0  0  0
 90 99  1  0  0  0  0
 90191  1  6  0  0  0
 91 92  1  0  0  0  0
 92 93  1  0  0  0  0
 92 95  1  0  0  0  0
 92192  1  6  0  0  0
 93 94  1  0  0  0  0
 93193  1  0  0  0  0
 93194  1  0  0  0  0
 94195  1  0  0  0  0
 95 96  1  0  0  0  0
 95 97  1  0  0  0  0
 95196  1  6  0  0  0
 96197  1  0  0  0  0
 97 98  1  0  0  0  0
 97 99  1  0  0  0  0
 97198  1  1  0  0  0
 98199  1  0  0  0  0
 99100  1  0  0  0  0
 99200  1  1  0  0  0
100201  1  0  0  0  0
101102  1  0  0  0  0
101103  1  0  0  0  0
101202  1  6  0  0  0
102203  1  0  0  0  0
103104  1  0  0  0  0
103204  1  1  0  0  0
104105  1  0  0  0  0
104205  1  0  0  0  0
105106  1  0  0  0  0
105107  2  0  0  0  0
106206  1  0  0  0  0
106207  1  0  0  0  0
106208  1  0  0  0  0
108109  1  0  0  0  0
108209  1  1  0  0  0
109210  1  0  0  0  0
M  END
$$$$