Molecule Editor

Molecule ID: FYI-1002208 Edit

Molecule Structure InChIKey: DCUCCARRVUPXJK-GOPCVKJMSA-N

Molecule Structure SMILES String: CC(C)[C@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N3Cc1ccccc1C#Cc2ccccc23)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc9ccc(COC(=O)N(C)CCN(C)C(=O)Oc4cc6c(c5ccccc45)[C@H](CCl)CN6C(=O)c8cc7cc(OCCN(C)C)ccc7[nH]8)cc9

Download SDF Download SVG Structure in 2D SDF:

Image not available

FYI-1002208
FYIcenter.com

109117  0  0  1  0  0  0  0  0999 V2000
   12.1244   23.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   23.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   23.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   21.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   21.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   21.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   23.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   21.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   21.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866   21.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114   21.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363   21.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488   21.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612   21.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8861   21.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0985   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3110   21.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5234   21.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.7358   21.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7358   23.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.9482   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1606   21.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3731   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5855   21.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.3731   19.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.0796   19.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5439   17.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1558   17.9535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3036   16.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8394   15.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2274   15.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0796   16.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3731   15.9416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.6666   16.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.2023   17.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.5903   17.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.4426   18.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.9068   19.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.5188   20.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.6666   19.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   19.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   21.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   21.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   21.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   21.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   21.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   23.1000    0.0000 N   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
    7.2746   19.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   18.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   18.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   17.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8807    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3134    1.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6828    0.7448    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.7036    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8807    4.6326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3134    5.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6828    6.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3766    7.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6676    8.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4552    9.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1641   10.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8326   10.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5416   12.2453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5820   13.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2909   14.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3312   15.4883    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6627   15.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0402   16.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7922    9.9392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0833    8.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4148    8.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9842    6.8581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 31 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  3  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 39 44  1  0  0  0  0
 29 44  1  0  0  0  0
  4 45  1  0  0  0  0
 45 46  2  0  0  0  0
 45 47  1  0  0  0  0
 48 47  1  6  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 53 55  2  0  0  0  0
 48 56  1  0  0  0  0
 56 57  2  0  0  0  0
 56 58  1  0  0  0  0
 58 59  1  0  0  0  0
 59 60  2  0  0  0  0
 60 61  1  0  0  0  0
 61 62  2  0  0  0  0
 62 63  1  0  0  0  0
 63 64  1  0  0  0  0
 64 65  1  0  0  0  0
 65 66  2  0  0  0  0
 65 67  1  0  0  0  0
 67 68  1  0  0  0  0
 67 69  1  0  0  0  0
 69 70  1  0  0  0  0
 70 71  1  0  0  0  0
 71 72  1  0  0  0  0
 71 73  1  0  0  0  0
 73 74  2  0  0  0  0
 73 75  1  0  0  0  0
 75 76  1  0  0  0  0
 76 77  2  0  0  0  0
 77 78  1  0  0  0  0
 78 79  2  0  0  0  0
 79 80  1  0  0  0  0
 80 81  1  0  0  0  0
 81 82  2  0  0  0  0
 82 83  1  0  0  0  0
 83 84  2  0  0  0  0
 84 85  1  0  0  0  0
 76 85  1  0  0  0  0
 80 85  2  0  0  0  0
 86 79  1  0  0  0  0
 86 87  1  1  0  0  0
 87 88  1  0  0  0  0
 86 89  1  0  0  0  0
 89 90  1  0  0  0  0
 78 90  1  0  0  0  0
 90 91  1  0  0  0  0
 91 92  2  0  0  0  0
 91 93  1  0  0  0  0
 93 94  2  0  0  0  0
 94 95  1  0  0  0  0
 95 96  2  0  0  0  0
 96 97  1  0  0  0  0
 97 98  1  0  0  0  0
 98 99  1  0  0  0  0
 99100  1  0  0  0  0
100101  1  0  0  0  0
101102  1  0  0  0  0
101103  1  0  0  0  0
 97104  2  0  0  0  0
104105  1  0  0  0  0
105106  2  0  0  0  0
 95106  1  0  0  0  0
106107  1  0  0  0  0
 93107  1  0  0  0  0
 62108  1  0  0  0  0
108109  2  0  0  0  0
 59109  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002208-3D
FYIcenter.com

206214  0  0  1  0  0  0  0  0999 V2000
    0.9551    0.3241    2.8152 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4507    0.0868    2.9975 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2434    1.0901    2.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8423   -1.3691    2.6616 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0251   -2.3295    3.4637 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7211   -3.6075    3.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0243   -4.0170    1.8883 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0864   -4.5292    4.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2146   -3.9586    4.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0013   -3.6111    3.3973 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3025   -3.1678    3.7951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1646   -2.8922    2.5672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4264   -4.1196    1.8852 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1670   -3.9229    0.6848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4400   -5.2845    0.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1012   -6.2250    0.8905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3617   -5.7688    1.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9741   -6.7810    2.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2636   -6.2928    2.6718 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8691   -7.0921    3.6843 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1918   -6.4479    4.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9138   -7.2302    5.0741 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6267   -7.2286    6.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7847   -6.4998    6.9302 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4969   -8.1495    7.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4537   -7.2903    8.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1188   -8.0233    9.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4191   -8.7322    9.9945 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4928   -7.8016    9.5180 N   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2462   -6.5620    9.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2790   -5.2346    9.8986 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8823   -4.0117    9.3105 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0743   -2.7764    9.9639 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6433   -2.7175   11.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0564   -3.8966   11.8462 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.9037   -5.1065   11.1567 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3298   -6.2681   11.7701 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3606   -7.4505   11.8541 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.9653   -8.7321   11.4444 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2357   -9.7762   12.3263 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7416  -11.0564   12.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0754  -11.2905   10.8949 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8101  -10.2406   10.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1477   -8.9009   10.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3765   -1.4759    2.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8339   -1.2926    4.0930 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2058   -1.7977    1.8632 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6734   -2.0451    1.9871 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4149   -0.7263    2.3337 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9638   -0.7127    2.3697 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6677   -1.0175    1.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1344   -1.0295    1.1163 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8596    0.1458    1.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2161   -0.0743    1.2136 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3720    1.2655    0.9571 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434   -3.2865    2.8331 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3414   -3.5068    3.0300 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1586   -4.1849    3.1759 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2055   -5.2531    4.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3681   -5.8131    4.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2823   -6.9657    5.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0350   -7.5464    5.6555 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9920   -8.8731    6.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3237   -8.8686    7.6724 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9818   -8.4089    8.7865 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0509   -7.8037    8.7256 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2879   -8.6970    9.9792 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0458   -9.4566    9.9765 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6604   -7.9962   11.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1906   -8.5393   12.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6611   -9.8351   13.2590 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0271  -10.2396   12.9552 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8918  -10.3488   14.3947 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8040   -9.8231   14.6786 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3824  -11.4723   15.2541 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4105  -12.5088   16.4996 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5116  -12.4589   17.6734 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9751  -13.0013   18.9181 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1402  -13.8146   18.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9028  -14.0450   17.6006 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9963  -14.9450   17.5567 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7967  -15.0953   16.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5281  -14.3354   15.3010 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4342  -13.4618   15.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5866  -13.3168   16.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4547  -14.4721   20.1169 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7684  -15.8477   20.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0533  -16.6803   21.6832 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8918  -13.4204   21.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6864  -12.9035   20.4278 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5569  -12.5917   21.3083 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4063  -12.7050   20.8798 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7158  -12.2316   22.8402 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7170  -11.8172   23.7542 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1531  -11.5209   25.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6272  -11.0266   26.4195 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7687  -10.9042   27.5358 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0155  -10.5306   28.8387 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1299   -9.7581   29.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0215   -8.2348   29.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0923   -7.4223   29.7694 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0402   -6.0615   29.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9923   -7.3031   31.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4342  -11.3017   27.3521 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9306  -11.7429   26.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8007  -11.8385   24.9876 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5727  -12.2434   23.6683 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8694   -6.9203    5.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9533   -5.7782    4.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7111    1.3769    2.9856 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3724   -0.2663    3.5296 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6342    0.0534    1.8046 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6950    0.2799    4.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9833    1.0033    1.0879 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3259    0.9502    2.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0333    2.1134    2.4730 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6689   -1.5847    1.6018 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7796   -2.0924    4.4218 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7857   -4.7188    4.8444 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8964   -5.4856    3.5195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0473   -3.0656    5.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7296   -4.7104    5.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1926   -2.2488    4.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7733   -3.9421    4.4120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6453   -2.2064    1.8895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1168   -2.4526    2.8827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5916   -3.2982   -0.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1008   -3.4001    0.9150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4848   -5.7465   -0.2367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0246   -5.1636   -0.8829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0309   -5.6008    0.5037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2697   -4.8224    1.8974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3348   -6.8865    3.1936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0618   -7.7632    1.8313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2061   -7.1741    4.5527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0413   -8.0983    3.2828 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8370   -6.3530    3.2009 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0263   -5.4389    4.4730 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6354   -7.8495    4.7280 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8290   -8.7641    7.8657 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0587   -8.8439    6.6134 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1597   -6.8546    7.3826 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9014   -6.4691    8.5561 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2528   -6.8372    8.7542 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7603   -6.2493    8.1643 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4537   -3.9968    8.3086 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7951   -1.8570    9.4607 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.8148   -1.7405   11.7165 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5701   -3.8645   12.8084 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.7531   -9.5835   13.2677 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.8937  -11.8410   12.8106 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7004  -12.3044   10.6856 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2831  -10.5034    9.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582   -1.7119    0.9107 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9587   -2.3072    0.9573 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0696   -0.3860    3.3178 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0854    0.0497    1.6267 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3275   -1.3851    3.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2661    0.2897    2.7031 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3761   -0.2519    0.3059 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3611   -1.9911    0.6466 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5788   -1.9139    1.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5186   -1.0045    0.9647 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8567    0.6625    0.9456 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2477   -4.0070    2.8003 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3589   -5.4157    4.3841 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2095   -7.4186    5.7244 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0011   -9.2849    6.5077 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4534   -9.5848    5.7474 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8816   -9.9804    9.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2117   -8.7751   10.1597 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1022  -10.2089   10.7664 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1825   -7.0087   11.1069 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7349   -7.7806   11.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0959   -8.5394   12.6450 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4993   -7.7654   13.3497 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3848   -9.7291   12.0515 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0570  -11.3092   12.7473 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6966   -9.9815   13.7774 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4836  -12.1398   17.5202 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2458  -15.5587   18.4195 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6279  -15.7960   16.4362 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1557  -14.4297   14.4182 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2289  -12.9095   14.3911 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5317  -14.5614   20.2831 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6851  -15.7863   19.9895 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1620  -16.4941   19.3571 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5692  -12.5568   21.1254 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7235  -13.8028   22.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7673  -11.7105   23.5212 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6863  -10.7731   26.5177 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0907  -10.1821   29.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0735   -9.9042   30.4363 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0338   -7.8780   29.4460 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0616   -8.0890   28.0387 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1763   -6.0927   28.1098 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8483   -5.4336   29.5908 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0863   -5.5621   29.4093 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1313   -8.2676   31.7164 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0451   -6.8623   31.5515 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8006   -6.6591   31.6000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7561  -11.2880   28.2125 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8879  -12.0522   26.0298 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6745  -12.5106   23.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8861   -7.3234    5.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0454   -5.2890    4.0379 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  1  0  0  0  0
  2113  1  0  0  0  0
  3114  1  0  0  0  0
  3115  1  0  0  0  0
  3116  1  0  0  0  0
  4 45  1  0  0  0  0
  4  5  1  0  0  0  0
  4  2  1  0  0  0  0
  4117  1  6  0  0  0
  5  6  1  0  0  0  0
  5118  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8119  1  0  0  0  0
  8120  1  0  0  0  0
  9 10  1  0  0  0  0
  9121  1  0  0  0  0
  9122  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11123  1  0  0  0  0
 11124  1  0  0  0  0
 12 13  1  0  0  0  0
 12125  1  0  0  0  0
 12126  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14127  1  0  0  0  0
 14128  1  0  0  0  0
 15 16  1  0  0  0  0
 15129  1  0  0  0  0
 15130  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17131  1  0  0  0  0
 17132  1  0  0  0  0
 18 19  1  0  0  0  0
 18133  1  0  0  0  0
 18134  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20135  1  0  0  0  0
 20136  1  0  0  0  0
 21 22  1  0  0  0  0
 21137  1  0  0  0  0
 21138  1  0  0  0  0
 22 23  1  0  0  0  0
 22139  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25140  1  0  0  0  0
 25141  1  0  0  0  0
 26 27  1  0  0  0  0
 26142  1  0  0  0  0
 26143  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 44  1  0  0  0  0
 30 31  1  0  0  0  0
 30144  1  0  0  0  0
 30145  1  0  0  0  0
 31 32  1  0  0  0  0
 31 36  2  0  0  0  0
 32 33  2  0  0  0  0
 32146  1  0  0  0  0
 33 34  1  0  0  0  0
 33147  1  0  0  0  0
 34 35  2  0  0  0  0
 34148  1  0  0  0  0
 35 36  1  0  0  0  0
 35149  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  3  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 44  2  0  0  0  0
 40 41  2  0  0  0  0
 40150  1  0  0  0  0
 41 42  1  0  0  0  0
 41151  1  0  0  0  0
 42 43  2  0  0  0  0
 42152  1  0  0  0  0
 43 44  1  0  0  0  0
 43153  1  0  0  0  0
 45 46  2  0  0  0  0
 45 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47154  1  0  0  0  0
 48 49  1  0  0  0  0
 48 56  1  0  0  0  0
 48155  1  6  0  0  0
 49 50  1  0  0  0  0
 49156  1  0  0  0  0
 49157  1  0  0  0  0
 50 51  1  0  0  0  0
 50158  1  0  0  0  0
 50159  1  0  0  0  0
 51 52  1  0  0  0  0
 51160  1  0  0  0  0
 51161  1  0  0  0  0
 52 53  1  0  0  0  0
 52162  1  0  0  0  0
 53 54  1  0  0  0  0
 53 55  2  0  0  0  0
 54163  1  0  0  0  0
 54164  1  0  0  0  0
 56 57  2  0  0  0  0
 56 58  1  0  0  0  0
 58 59  1  0  0  0  0
 58165  1  0  0  0  0
 59 60  1  0  0  0  0
 59109  2  0  0  0  0
 60 61  2  0  0  0  0
 60166  1  0  0  0  0
 61 62  1  0  0  0  0
 61167  1  0  0  0  0
 62 63  1  0  0  0  0
 62108  2  0  0  0  0
 63 64  1  0  0  0  0
 63168  1  0  0  0  0
 63169  1  0  0  0  0
 64 65  1  0  0  0  0
 65 66  2  0  0  0  0
 65 67  1  0  0  0  0
 67 68  1  0  0  0  0
 67 69  1  0  0  0  0
 68170  1  0  0  0  0
 68171  1  0  0  0  0
 68172  1  0  0  0  0
 69 70  1  0  0  0  0
 69173  1  0  0  0  0
 69174  1  0  0  0  0
 70 71  1  0  0  0  0
 70175  1  0  0  0  0
 70176  1  0  0  0  0
 71 72  1  0  0  0  0
 71 73  1  0  0  0  0
 72177  1  0  0  0  0
 72178  1  0  0  0  0
 72179  1  0  0  0  0
 73 74  2  0  0  0  0
 73 75  1  0  0  0  0
 75 76  1  0  0  0  0
 76 77  1  0  0  0  0
 76 85  2  0  0  0  0
 77 78  2  0  0  0  0
 77180  1  0  0  0  0
 78 79  1  0  0  0  0
 78 90  1  0  0  0  0
 79 80  2  0  0  0  0
 79 86  1  0  0  0  0
 80 81  1  0  0  0  0
 80 85  1  0  0  0  0
 81 82  2  0  0  0  0
 81181  1  0  0  0  0
 82 83  1  0  0  0  0
 82182  1  0  0  0  0
 83 84  2  0  0  0  0
 83183  1  0  0  0  0
 84 85  1  0  0  0  0
 84184  1  0  0  0  0
 86 89  1  0  0  0  0
 86 87  1  0  0  0  0
 86185  1  1  0  0  0
 87 88  1  0  0  0  0
 87186  1  0  0  0  0
 87187  1  0  0  0  0
 89 90  1  0  0  0  0
 89188  1  0  0  0  0
 89189  1  0  0  0  0
 90 91  1  0  0  0  0
 91 92  2  0  0  0  0
 91 93  1  0  0  0  0
 93 94  2  0  0  0  0
 93107  1  0  0  0  0
 94 95  1  0  0  0  0
 94190  1  0  0  0  0
 95 96  1  0  0  0  0
 95106  2  0  0  0  0
 96 97  2  0  0  0  0
 96191  1  0  0  0  0
 97 98  1  0  0  0  0
 97104  1  0  0  0  0
 98 99  1  0  0  0  0
 99100  1  0  0  0  0
 99192  1  0  0  0  0
 99193  1  0  0  0  0
100101  1  0  0  0  0
100194  1  0  0  0  0
100195  1  0  0  0  0
101102  1  0  0  0  0
101103  1  0  0  0  0
102196  1  0  0  0  0
102197  1  0  0  0  0
102198  1  0  0  0  0
103199  1  0  0  0  0
103200  1  0  0  0  0
103201  1  0  0  0  0
104105  2  0  0  0  0
104202  1  0  0  0  0
105106  1  0  0  0  0
105203  1  0  0  0  0
106107  1  0  0  0  0
107204  1  0  0  0  0
108109  1  0  0  0  0
108205  1  0  0  0  0
109206  1  0  0  0  0
M  END
$$$$