Molecule FYI-1001778

Molecule Summary:

ID: FYI-1001778
SMILES: O=CN(c1ccc(cc1)C(=O)NC(C(=O)O)CCC(=O)NC(C(=O)O)CCC(=O)SCCNC(=O)CCNC(=O)C(C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O)CC1CNc2c(N1)c(=O)[nH]c(n2)N

Received at FYIcenter.com on: 2022-11-30

Molecule ID: FYI-1001778 Edit

Molecule Structure SMILES String: O=CN(c1ccc(cc1)C(=O)NC(C(=O)O)CCC(=O)NC(C(=O)O)CCC(=O)SCCNC(=O)CCNC(=O)C(C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O)CC1CNc2c(N1)c(=O)[nH]c(n2)N

Download SDF Download SVG Structure in 2D SDF:

FYI-1001778
FYIcenter.com

 90 95  0  0  1  0  0  0  0  0999 V2000
   42.3857    6.6075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.5981    7.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.5981    8.7075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   42.3857    9.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.3857   10.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.1732   11.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.9608   10.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.9608    9.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.1732    8.7075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7484   11.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7484   12.9075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.5359   10.8075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.3235   11.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3235   12.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5359   13.6076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.1110   13.6076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.1110   10.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8986   11.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6862   10.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6862    9.4075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4737   11.5075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.2613   10.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2613    9.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0488    8.7075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4737    8.7075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0488   11.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8364   10.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6240   11.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6240   12.9075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4115   10.8075    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   24.1991   11.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9866   10.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7742   11.5075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.5618   10.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5618    9.4075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3493   11.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1369   10.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9244   11.5075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7120   10.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7120    9.4075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4996   11.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2871   10.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0747   11.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8622   10.8075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6498   11.5075    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.3498   12.7199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4374   10.8075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4374    9.4075    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.8373    9.4075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2249    8.7075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2249    7.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0125    6.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8662    5.2152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4968    4.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7968    6.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7336    7.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4425    8.5464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1110    8.9790    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.5436   10.3105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7795    9.4117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6784    7.6476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4045    6.2829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9274    3.6451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6274    2.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6906    1.3923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4115    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    3.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    4.1770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    3.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9863    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1373    8.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9498   12.7199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5871    9.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9871    9.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4996   12.9075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.8106    9.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.8106   10.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.0230   11.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.0230   12.9075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   44.8106   13.6076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.5981   12.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.5981   11.5075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   42.3857   13.6076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.1732   12.9075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.3857   15.0076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   43.5981   15.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.8106   15.0076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   43.5981   17.1076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 13  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 22  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  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
 35 34  2  0  0  0  0
 36 34  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  2  0  0  0  0
 41 39  1  0  0  0  0
 42 41  1  0  0  0  0
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 45 44  1  0  0  0  0
 46 45  2  0  0  0  0
 47 45  1  0  0  0  0
 48 47  1  0  0  0  0
 49 48  2  0  0  0  0
 50 48  1  0  0  0  0
 51 50  1  0  0  0  0
 52 51  1  1  0  0  0
 53 52  1  0  0  0  0
 54 53  1  0  0  0  0
 55 54  1  0  0  0  0
 56 55  1  0  0  0  0
 56 52  1  0  0  0  0
 56 57  1  6  0  0  0
 58 57  1  0  0  0  0
 59 58  2  0  0  0  0
 60 58  1  0  0  0  0
 61 58  1  0  0  0  0
 55 62  1  6  0  0  0
 54 63  1  1  0  0  0
 64 63  1  0  0  0  0
 65 64  2  0  0  0  0
 66 65  1  0  0  0  0
 67 66  2  0  0  0  0
 67 63  1  0  0  0  0
 68 67  1  0  0  0  0
 69 68  2  0  0  0  0
 70 69  1  0  0  0  0
 71 70  2  0  0  0  0
 71 66  1  0  0  0  0
 72 71  1  0  0  0  0
 73 48  1  0  0  0  0
 74 45  1  0  0  0  0
 75 42  1  0  0  0  0
 76 42  1  0  0  0  0
 77 41  1  0  0  0  0
 78  3  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
 82 81  1  0  0  0  0
 83 82  2  0  0  0  0
 84 83  1  0  0  0  0
 84 79  1  0  0  0  0
 85 83  1  0  0  0  0
 86 85  2  0  0  0  0
 87 85  1  0  0  0  0
 88 87  1  0  0  0  0
 89 88  2  0  0  0  0
 89 82  1  0  0  0  0
 90 88  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001778-3D
FYIcenter.com

154159  0  0  1  0  0  0  0  0999 V2000
  -26.2714    0.5984    2.6090 O   0  0  0  0  0  0  0  0  0  0  0  0
  -25.7222    1.2743    3.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.4228    1.1678    3.9750 N   0  0  0  0  0  0  0  0  0  0  0  0
  -23.5008    0.1604    3.5335 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.5954   -0.4175    2.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.5549   -1.2006    1.7492 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.3957   -1.3953    2.5099 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.3365   -0.9289    3.8136 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.4034   -0.1995    4.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.2110   -2.1097    1.9896 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.0748   -1.7690    2.2698 O   0  0  0  0  0  0  0  0  0  0  0  0
  -20.4867   -3.1870    1.2201 N   0  0  0  0  0  0  0  0  0  0  0  0
  -19.4264   -4.0115    0.6810 C   0  0  3  0  0  0  0  0  0  0  0  0
  -18.6576   -4.7815    1.7733 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.0201   -5.8298    2.2893 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.5410   -4.1299    2.1751 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.9964   -4.9700   -0.3298 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.1790   -5.7634    0.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.8087   -6.4124   -0.9619 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.1610   -6.5886   -1.9862 O   0  0  0  0  0  0  0  0  0  0  0  0
  -23.0497   -6.9617   -0.6599 N   0  0  0  0  0  0  0  0  0  0  0  0
  -23.6259   -8.2885   -1.4055 C   0  0  3  0  0  0  0  0  0  0  0  0
  -23.8360   -7.3401   -2.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.2840   -6.2860   -3.1999 O   0  0  0  0  0  0  0  0  0  0  0  0
  -24.8122   -7.7082   -3.7681 O   0  0  0  0  0  0  0  0  0  0  0  0
  -23.0615  -10.3770   -0.9233 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.8432  -11.2019    0.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
  -24.1439  -11.7555    0.9684 C   0  0  0  0  0  0  0  0  0  0  0  0
  -25.0078  -12.2475    0.2521 O   0  0  0  0  0  0  0  0  0  0  0  0
  -24.1327  -12.0882    2.6598 S   0  0  0  0  0  0  0  0  0  0  0  0
  -23.4147  -13.6714    2.2066 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.3656  -14.5187    3.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.9127  -15.8135    3.0189 N   0  0  0  0  0  0  0  0  0  0  0  0
  -22.5323  -16.6785    4.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.8641  -16.5227    5.1767 O   0  0  0  0  0  0  0  0  0  0  0  0
  -21.7038  -17.8492    3.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.1602  -17.7834    2.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.3388  -16.6284    1.7045 N   0  0  0  0  0  0  0  0  0  0  0  0
  -19.7290  -15.7277    2.5524 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.8988  -15.7763    3.7701 O   0  0  0  0  0  0  0  0  0  0  0  0
  -18.9615  -14.4955    1.9773 C   0  0  3  0  0  0  0  0  0  0  0  0
  -18.5069  -14.4163    0.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.7283  -14.2710   -0.4401 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.3465  -14.1388   -1.8030 O   0  0  0  0  0  0  0  0  0  0  0  0
  -20.6504  -13.9599   -2.9259 P   0  0  3  0  0  0  0  0  0  0  0  0
  -21.2515  -12.7500   -2.2401 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.5620  -13.4869   -4.0220 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.4005  -14.1629   -5.4482 P   0  0  3  0  0  0  0  0  0  0  0  0
  -19.8762  -15.5655   -5.6330 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.9216  -13.0431   -6.4704 O   0  0  0  0  0  0  0  0  0  0  0  0
  -20.8421  -12.1220   -5.9716 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.3830  -10.7032   -5.7236 C   0  0  1  0  0  0  0  0  0  0  0  0
  -21.6744  -10.0773   -6.0873 O   0  0  0  0  0  0  0  0  0  0  0  0
  -22.0668   -9.1972   -5.0342 C   0  0  2  0  0  0  0  0  0  0  0  0
  -20.7105   -8.8092   -4.4173 C   0  0  1  0  0  0  0  0  0  0  0  0
  -20.1009  -10.2029   -4.2111 C   0  0  2  0  0  0  0  0  0  0  0  0
  -18.8170  -10.2026   -3.5324 O   0  0  0  0  0  0  0  0  0  0  0  0
  -18.7087   -9.6963   -1.8817 P   0  0  0  0  0  0  0  0  0  0  0  0
  -19.3334  -10.9873   -1.3686 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.1045  -10.0656   -1.8811 O   0  0  0  0  0  0  0  0  0  0  0  0
  -18.6004   -9.1900   -0.2310 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.9160   -8.0397   -5.3450 O   0  0  0  0  0  0  0  0  0  0  0  0
  -22.9999   -9.8771   -4.1388 N   0  0  0  0  0  0  0  0  0  0  0  0
  -24.2187  -10.5019   -4.4161 C   0  0  0  0  0  0  0  0  0  0  0  0
  -25.0988  -10.6307   -3.4167 N   0  0  0  0  0  0  0  0  0  0  0  0
  -24.5407   -9.9931   -2.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.9331   -9.6517   -2.7972 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.7031   -9.0600   -1.7765 N   0  0  0  0  0  0  0  0  0  0  0  0
  -22.1537   -8.8716   -0.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
  -23.7747   -9.0954    0.4435 N   0  0  0  0  0  0  0  0  0  0  0  0
  -25.0372   -9.7334   -0.6292 C   0  0  0  0  0  0  0  0  0  0  0  0
  -26.3369   -9.8929   -0.1777 N   0  0  0  0  0  0  0  0  0  0  0  0
  -17.8440  -14.0219   -5.7646 O   0  0  0  0  0  0  0  0  0  0  0  0
  -21.9543  -13.7810   -4.0487 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6374  -13.1383    0.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.5958  -15.6081    0.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.6742  -13.2909    2.2918 O   0  0  0  0  0  0  0  0  0  0  0  0
  -24.0284    2.0843    5.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.7182    2.8646    4.8300 C   0  0  3  0  0  0  0  0  0  0  0  0
  -22.6850    3.7476    3.5589 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.4238    4.4870    3.5276 N   0  0  0  0  0  0  0  0  0  0  0  0
  -20.7877    4.9589    4.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.2972    4.5641    5.8837 C   0  0  0  0  0  0  0  0  0  0  0  0
  -22.3786    3.6721    6.0219 N   0  0  0  0  0  0  0  0  0  0  0  0
  -20.6083    5.0638    7.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.0288    4.8482    8.2428 O   0  0  0  0  0  0  0  0  0  0  0  0
  -19.4652    5.7735    6.8891 N   0  0  0  0  0  0  0  0  0  0  0  0
  -19.0331    6.1015    5.6438 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.6770    5.7688    4.5696 N   0  0  0  0  0  0  0  0  0  0  0  0
  -17.8745    6.8127    5.5711 N   0  0  0  0  0  0  0  0  0  0  0  0
  -26.2910    2.0791    3.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
  -24.4369   -0.2104    1.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
  -22.6465   -1.5871    0.7369 H   0  0  0  0  0  0  0  0  0  0  0  0
  -20.4570   -1.1078    4.4276 H   0  0  0  0  0  0  0  0  0  0  0  0
  -22.3249    0.1177    5.3655 H   0  0  0  0  0  0  0  0  0  0  0  0
  -21.4544   -3.4229    1.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
  -18.7204   -3.3643    0.1485 H   0  0  0  0  0  0  0  0  0  0  0  0
  -17.5634   -3.1918    1.8801 H   0  0  0  0  0  0  0  0  0  0  0  0
  -19.2173   -5.6639   -0.6780 H   0  0  0  0  0  0  0  0  0  0  0  0
  -20.3212   -4.3974   -1.2095 H   0  0  0  0  0  0  0  0  0  0  0  0
  -21.9447   -5.1883    0.7341 H   0  0  0  0  0  0  0  0  0  0  0  0
  -20.8333   -6.5437    0.8967 H   0  0  0  0  0  0  0  0  0  0  0  0
  -23.4107   -6.8795    0.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
  -24.6643   -7.9765   -1.1201 H   0  0  0  0  0  0  0  0  0  0  0  0
  -25.5185   -8.2830   -3.4414 H   0  0  0  0  0  0  0  0  0  0  0  0
  -22.0337  -10.7351   -1.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
  -23.5366  -11.2729   -1.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
  -22.2417  -10.7105    1.2624 H   0  0  0  0  0  0  0  0  0  0  0  0
  -22.2265  -12.0773    0.2212 H   0  0  0  0  0  0  0  0  0  0  0  0
  -22.4133  -13.5346    1.7799 H   0  0  0  0  0  0  0  0  0  0  0  0
  -24.0005  -14.1601    1.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
  -24.3555  -14.6252    3.8654 H   0  0  0  0  0  0  0  0  0  0  0  0
  -22.6638  -14.0923    4.1443 H   0  0  0  0  0  0  0  0  0  0  0  0
  -22.4770  -15.9037    2.1123 H   0  0  0  0  0  0  0  0  0  0  0  0
  -22.3445  -18.7305    3.6466 H   0  0  0  0  0  0  0  0  0  0  0  0
  -20.8709  -17.9547    4.2451 H   0  0  0  0  0  0  0  0  0  0  0  0
  -21.9966  -17.8097    1.4016 H   0  0  0  0  0  0  0  0  0  0  0  0
  -20.5681  -18.6802    1.9102 H   0  0  0  0  0  0  0  0  0  0  0  0
  -19.9058  -16.7742    0.8064 H   0  0  0  0  0  0  0  0  0  0  0  0
  -18.0527  -14.4633    2.5951 H   0  0  0  0  0  0  0  0  0  0  0  0
  -20.2989  -13.3841   -0.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
  -20.4047  -15.1246   -0.3731 H   0  0  0  0  0  0  0  0  0  0  0  0
  -21.1504  -12.3609   -4.9938 H   0  0  0  0  0  0  0  0  0  0  0  0
  -21.7613  -12.2239   -6.5668 H   0  0  0  0  0  0  0  0  0  0  0  0
  -19.6237  -10.3863   -6.4424 H   0  0  0  0  0  0  0  0  0  0  0  0
  -22.6133   -8.3577   -5.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
  -20.7578   -8.2101   -3.5263 H   0  0  0  0  0  0  0  0  0  0  0  0
  -20.7269  -10.8108   -3.5625 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9906  -11.0384   -1.8474 H   0  0  0  0  0  0  0  0  0  0  0  0
  -18.9969   -9.9302    0.2654 H   0  0  0  0  0  0  0  0  0  0  0  0
  -20.3971   -7.9520   -6.1927 H   0  0  0  0  0  0  0  0  0  0  0  0
  -24.4656  -10.8068   -5.4270 H   0  0  0  0  0  0  0  0  0  0  0  0
  -21.4202   -8.5702    0.6189 H   0  0  0  0  0  0  0  0  0  0  0  0
  -26.4254  -10.0283    0.8273 H   0  0  0  0  0  0  0  0  0  0  0  0
  -26.8370  -10.6118   -0.7012 H   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6599  -14.4166   -6.6418 H   0  0  0  0  0  0  0  0  0  0  0  0
  -22.4079  -12.9589   -3.7491 H   0  0  0  0  0  0  0  0  0  0  0  0
  -18.2147  -12.2297    0.5324 H   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2331  -13.0592   -0.6801 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.7902  -13.1385    1.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
  -18.1482  -16.5330   -0.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.8950  -15.7910    0.9931 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9945  -15.4222   -0.7275 H   0  0  0  0  0  0  0  0  0  0  0  0
  -20.5871  -13.5311    2.5113 H   0  0  0  0  0  0  0  0  0  0  0  0
  -23.9813    1.5063    5.9838 H   0  0  0  0  0  0  0  0  0  0  0  0
  -24.8315    2.8146    5.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
  -21.8835    2.1662    4.7303 H   0  0  0  0  0  0  0  0  0  0  0  0
  -23.5184    4.4580    3.5493 H   0  0  0  0  0  0  0  0  0  0  0  0
  -22.7517    3.1287    2.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
  -21.1833    4.9947    2.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
  -23.1500    4.1066    6.5272 H   0  0  0  0  0  0  0  0  0  0  0  0
  -18.9510    6.0496    7.7078 H   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6265    7.4228    6.3352 H   0  0  0  0  0  0  0  0  0  0  0  0
  -17.7117    7.2054    4.6496 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 91  1  0  0  0  0
  3  4  1  0  0  0  0
  3 78  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5 92  1  0  0  0  0
  6  7  1  0  0  0  0
  6 93  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 94  1  0  0  0  0
  9 95  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 96  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 97  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 98  1  0  0  0  0
 17 18  1  0  0  0  0
 17 99  1  0  0  0  0
 17100  1  0  0  0  0
 18 19  1  0  0  0  0
 18101  1  0  0  0  0
 18102  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21103  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  1  0  0  0  0
 22104  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25105  1  0  0  0  0
 26 27  1  0  0  0  0
 26106  1  0  0  0  0
 26107  1  0  0  0  0
 27 28  1  0  0  0  0
 27108  1  0  0  0  0
 27109  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31110  1  0  0  0  0
 31111  1  0  0  0  0
 32 33  1  0  0  0  0
 32112  1  0  0  0  0
 32113  1  0  0  0  0
 33 34  1  0  0  0  0
 33114  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36115  1  0  0  0  0
 36116  1  0  0  0  0
 37 38  1  0  0  0  0
 37117  1  0  0  0  0
 37118  1  0  0  0  0
 38 39  1  0  0  0  0
 38119  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 77  1  0  0  0  0
 41120  1  0  0  0  0
 42 43  1  0  0  0  0
 42 75  1  0  0  0  0
 42 76  1  0  0  0  0
 43 44  1  0  0  0  0
 43121  1  0  0  0  0
 43122  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 45 47  1  0  0  0  0
 45 74  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 48 50  1  0  0  0  0
 48 73  1  0  0  0  0
 50 51  1  0  0  0  0
 51123  1  0  0  0  0
 51124  1  0  0  0  0
 52 53  1  0  0  0  0
 52 56  1  0  0  0  0
 52 51  1  0  0  0  0
 52125  1  6  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 54 63  1  0  0  0  0
 54126  1  6  0  0  0
 55 56  1  0  0  0  0
 55 62  1  0  0  0  0
 55127  1  1  0  0  0
 56 57  1  0  0  0  0
 56128  1  1  0  0  0
 57 58  1  0  0  0  0
 58 59  2  0  0  0  0
 58 60  1  0  0  0  0
 58 61  1  0  0  0  0
 60129  1  0  0  0  0
 61130  1  0  0  0  0
 62131  1  0  0  0  0
 63 64  1  0  0  0  0
 63 67  1  0  0  0  0
 64 65  2  0  0  0  0
 64132  1  0  0  0  0
 65 66  1  0  0  0  0
 66 67  1  0  0  0  0
 66 71  2  0  0  0  0
 67 68  2  0  0  0  0
 68 69  1  0  0  0  0
 69 70  2  0  0  0  0
 69133  1  0  0  0  0
 70 71  1  0  0  0  0
 71 72  1  0  0  0  0
 72134  1  0  0  0  0
 72135  1  0  0  0  0
 73136  1  0  0  0  0
 74137  1  0  0  0  0
 75138  1  0  0  0  0
 75139  1  0  0  0  0
 75140  1  0  0  0  0
 76141  1  0  0  0  0
 76142  1  0  0  0  0
 76143  1  0  0  0  0
 77144  1  0  0  0  0
 78 79  1  0  0  0  0
 78145  1  0  0  0  0
 78146  1  0  0  0  0
 79 80  1  0  0  0  0
 79 84  1  0  0  0  0
 79147  1  0  0  0  0
 80 81  1  0  0  0  0
 80148  1  0  0  0  0
 80149  1  0  0  0  0
 81 82  1  0  0  0  0
 81150  1  0  0  0  0
 82 83  2  0  0  0  0
 82 89  1  0  0  0  0
 83 84  1  0  0  0  0
 83 85  1  0  0  0  0
 84151  1  0  0  0  0
 85 86  2  0  0  0  0
 85 87  1  0  0  0  0
 87 88  1  0  0  0  0
 87152  1  0  0  0  0
 88 89  2  0  0  0  0
 88 90  1  0  0  0  0
 90153  1  0  0  0  0
 90154  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-12-28, 1437👍, 0💬