
     RDKit          3D

103107  0  0  0  0  0  0  0  0999 V2000
   -5.4059    3.7189   -1.5817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9733    3.3206   -0.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5388    3.7965    0.2052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6413    3.9444   -0.9123 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3731    2.9476   -1.8595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5122    3.3464   -3.1841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4887    2.4096   -4.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2671    1.0710   -3.9015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0822    0.6652   -2.5772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583    1.6087   -1.5300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8323    1.1597   -0.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7797    0.5935    0.5011 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5947    1.4330    0.5136 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5250    0.4669    0.6148 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3397    0.7442    1.8729 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5117    1.9882    2.2252 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0464   -0.2527    2.6144 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1236    0.1176    3.5298 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3724    0.6248    2.8189 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6402    0.2963    1.4737 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7829    0.7769    0.8651 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7225    1.5252    1.5788 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9527    2.0466    0.8509 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6175    0.9734    0.1046 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1700   -0.1147    0.9365 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5161    0.2929    1.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4483    0.6736    0.5641 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9257    1.7915   -0.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6077    1.4849   -0.8320 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4753    1.8545    2.9161 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2894    1.4198    3.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0467   -1.0016    0.4413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0751   -1.4018    1.3684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0668   -0.9295    2.5503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0471   -2.4043    1.0325 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3223   -3.4696    2.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9890   -4.7749    1.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8770   -4.8943    0.5129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6175   -6.0765   -0.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4600   -7.1804   -0.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5837   -7.0645    0.8147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8655   -5.8649    1.4634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8602   -2.3978   -0.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1683   -1.6193   -0.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8434   -1.7674    1.0681 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7436   -0.9160   -1.0533 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0793   -0.2389   -1.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4918    0.1490   -2.4582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7504    1.0215   -2.4976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7891   -1.1228   -3.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2252    0.9788   -0.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3190    1.1254    0.6043 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0985    1.8636    0.1553 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2509    2.8889   -2.3413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4643    4.0461   -1.5921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8513    4.6485   -1.8623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6604    3.9186    0.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6231    4.7919    0.6745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1378    3.1333    0.9861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7513    4.3887   -3.4236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6198    2.7244   -5.2335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2380    0.3011   -4.6929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9603   -0.3902   -2.3741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5798    2.2991    1.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2201    0.6712   -0.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0239   -1.2841    2.3471 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3900   -0.7429    4.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7224    0.8956    4.2041 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9673   -0.2967    0.8581 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9610    0.4792   -0.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5653    2.8244    0.1441 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6633    2.5348    1.5769 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4590   -0.4810    1.7448 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3673   -1.0236    0.2937 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3988    1.0607    2.3529 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9029   -0.5947    2.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8033    2.6653    0.5377 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6175    2.0744   -0.9321 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2224    2.3934   -1.3993 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7811    0.6837   -1.5987 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2234    2.4001    3.4787 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1014    1.7049    4.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8926   -1.7182    0.5611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2275   -1.1468   -0.6357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3996   -3.4590    2.2917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7074   -3.3519    2.9402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1859   -4.0762    0.3644 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2043   -6.1268   -0.8749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2367   -8.1158   -0.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2516   -7.9198    0.9630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7694   -5.7795    2.0541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2604   -2.1029   -1.1135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1792   -3.4344   -0.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2257   -1.0028   -1.9954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8454   -0.9963   -0.6894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6703    0.7135   -2.9141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5344    2.0421   -2.1518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1669    1.0414   -3.5279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5242    0.6209   -1.8398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7336   -1.5677   -2.9080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8559   -0.8956   -4.3449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0273   -1.9016   -3.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8424    1.7233    1.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 22 30  1  0
 30 31  2  0
 14 32  1  0
 32 33  1  0
 33 34  2  0
 33 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  2  0
 35 43  1  0
 43 44  1  0
 44 45  2  0
 44 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 48 50  1  0
 47 51  1  0
 51 52  2  0
 51 53  1  0
 53  2  1  0
 10  5  1  0
 31 19  1  0
 42 37  1  0
 29 24  1  0
  1 54  1  0
  1 55  1  0
  1 56  1  0
  2 57  1  0
  3 58  1  0
  3 59  1  0
  6 60  1  0
  7 61  1  0
  8 62  1  0
  9 63  1  0
 13 64  1  0
 14 65  1  0
 17 66  1  0
 18 67  1  0
 18 68  1  0
 20 69  1  0
 21 70  1  0
 23 71  1  0
 23 72  1  0
 25 73  1  0
 25 74  1  0
 26 75  1  0
 26 76  1  0
 28 77  1  0
 28 78  1  0
 29 79  1  0
 29 80  1  0
 30 81  1  0
 31 82  1  0
 32 83  1  0
 32 84  1  0
 36 85  1  0
 36 86  1  0
 38 87  1  0
 39 88  1  0
 40 89  1  0
 41 90  1  0
 42 91  1  0
 43 92  1  0
 43 93  1  0
 46 94  1  0
 47 95  1  0
 48 96  1  0
 49 97  1  0
 49 98  1  0
 49 99  1  0
 50100  1  0
 50101  1  0
 50102  1  0
 53103  1  0
M  END
$$$$
