
     RDKit          3D

115119  0  0  0  0  0  0  0  0999 V2000
   -0.5149    2.9856   -3.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5922    2.6629   -2.7767 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3408    3.3621   -1.4168 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9607    3.0868   -0.8529 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6962    1.8923   -0.6449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8870    2.0387   -0.2636 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1975    0.4709   -0.8754 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7274   -0.0471   -2.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6152   -0.4957    0.2947 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9094   -1.0476    0.0333 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9496   -0.6069    0.9148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6950   -1.7858    1.5932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6277   -2.5900    0.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7535   -3.4827   -0.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5305   -3.5182    1.2422 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9101   -3.2215    2.5669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4534   -1.5849   -0.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4638   -1.0097    0.5603 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5446   -0.4661   -0.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3586    0.5444   -1.6196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8705    0.2292    0.2294 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5697   -1.6659    0.4532 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1828   -2.9726    1.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8143   -1.3252    1.1632 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7816   -0.9874    0.1690 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2782   -2.1278   -0.5347 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9594   -2.0382   -1.9130 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5687   -0.9101   -2.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0309   -0.7591   -3.9205 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0923   -1.0837   -2.5065 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6614   -1.2525   -1.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1079   -1.6517   -1.1399 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9212   -0.6347   -1.8393 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6990   -1.8985    0.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7998   -2.3071   -0.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0540   -2.2225    1.0674 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8036   -0.2266    2.2946 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1407   -0.6323    3.4525 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2076   -0.0031    2.8668 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7761    1.1005    2.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8643    1.8997    2.7658 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5093    1.8367    1.4986 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3871    1.0184    1.7840 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5918    1.9150    0.0890 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4819    3.2474   -0.3431 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8537    3.6182   -0.9479 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1259    4.1634    0.8691 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9824    5.2844    0.9660 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2797    3.2681    2.0846 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0551    3.3850    3.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3787    2.3774   -4.7037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    4.0556   -4.0807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5316    2.7977   -3.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5371    3.0510   -3.2197 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6977    1.5646   -2.6502 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3093    4.4533   -1.6795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0960    0.4852   -0.9255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1951    0.4358   -3.0601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8207    0.1577   -2.3553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5556   -1.1350   -2.3463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6104    0.0673    1.2357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5706   -0.0063    1.7738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2978   -1.3155    2.4024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9878   -2.4681    2.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0787   -2.9094   -0.9603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3979   -4.0929   -0.9674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1384   -4.1848    0.3037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0728   -3.4200    3.2624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3137   -2.1903    2.6769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7243   -3.9106    2.8536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9052   -2.1496   -1.0848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2809   -0.9731   -0.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8243   -0.8996   -1.5370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9344    0.0212   -2.4174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6708    1.2769   -2.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0725    1.0954   -0.9644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3207   -1.9629   -0.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6885   -3.5326    0.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9003   -2.7587    1.8239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4141   -3.6646    1.4067 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1645   -2.2279    1.7122 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8124   -3.0829   -0.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3055    0.0218   -1.9557 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2720   -1.6672   -4.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9319   -0.6147   -3.9029 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4890    0.1338   -4.4003 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3545   -1.9726   -3.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5248   -0.1741   -2.9802 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5716   -0.2711   -0.5554 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7093   -0.6547   -2.9287 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0044   -0.8219   -1.7525 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7160    0.3878   -1.4442 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4615   -1.0607    0.8777 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3423   -2.8758    0.5729 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8064   -1.9942    0.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0769   -3.3182   -0.6867 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7707   -3.0896    1.4677 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3626   -1.3437    4.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0669   -1.0896    3.0966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4240    0.2557    4.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8297   -0.9104    2.8325 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1492    0.3392    3.9196 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2955    0.6388    1.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7297    1.2330    2.9752 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375    2.7385    2.1464 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5174    2.2805    3.7447 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1624    2.8536   -1.6894 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    3.6574   -0.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8128    4.6089   -1.4510 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0816    4.5538    0.7938 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6228    5.8667    1.6887 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1376    3.6313    2.6749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0468    4.4220    3.4011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8790    3.1185    2.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1652    2.7086    3.8889 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
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 13 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
  9 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 32 34  1  0
 31 35  1  0
 35 36  1  0
 24 37  1  0
 37 38  1  1
 37 39  1  0
 39 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 42 44  1  0
 44 45  1  0
 45 46  1  6
 45 47  1  0
 47 48  1  0
 47 49  1  0
 49 50  1  0
 45  3  1  0
 21 11  1  0
 35 26  1  0
 43 37  1  0
 49 42  1  0
  1 51  1  0
  1 52  1  0
  1 53  1  0
  2 54  1  0
  2 55  1  0
  3 56  1  6
  7 57  1  6
  8 58  1  0
  8 59  1  0
  8 60  1  0
  9 61  1  1
 11 62  1  0
 12 63  1  0
 12 64  1  0
 14 65  1  0
 14 66  1  0
 14 67  1  0
 16 68  1  0
 16 69  1  0
 16 70  1  0
 17 71  1  0
 18 72  1  0
 19 73  1  0
 20 74  1  0
 20 75  1  0
 20 76  1  0
 22 77  1  6
 23 78  1  0
 23 79  1  0
 23 80  1  0
 24 81  1  1
 26 82  1  0
 28 83  1  0
 29 84  1  0
 29 85  1  0
 29 86  1  0
 30 87  1  0
 30 88  1  0
 31 89  1  0
 33 90  1  0
 33 91  1  0
 33 92  1  0
 34 93  1  0
 34 94  1  0
 34 95  1  0
 35 96  1  0
 36 97  1  0
 38 98  1  0
 38 99  1  0
 38100  1  0
 39101  1  0
 39102  1  0
 40103  1  0
 41104  1  0
 41105  1  0
 41106  1  0
 46107  1  0
 46108  1  0
 46109  1  0
 47110  1  6
 48111  1  0
 49112  1  1
 50113  1  0
 50114  1  0
 50115  1  0
M  END
$$$$
