
     RDKit          3D

 66 69  0  0  0  0  0  0  0  0999 V2000
    5.2607   -0.2395    3.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7135   -0.2988    1.6264 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1834   -0.4088    1.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6557   -0.4015    0.2480 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6465   -1.6618   -0.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7335   -2.7563    0.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2342   -2.4255   -0.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2889   -1.6832    1.2323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5607   -1.0080    0.9208 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7444   -1.8152    0.7464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8785   -2.8794    1.4096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7818   -1.4461   -0.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3884   -1.0806   -1.5386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3426   -0.7285   -2.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6990   -0.7407   -2.1675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1038   -1.1031   -0.8808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1555   -1.4569    0.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7832   -1.8752    1.8516 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6815    0.4677    0.9644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7496    0.9702    2.4259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3009    2.4403    2.5811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5662    3.2625    1.3113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8314    2.6889    0.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5476    1.1744    0.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4285    0.5863   -1.1052 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5641    0.8429   -2.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1429    0.8949   -3.4005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0478    1.1648   -4.4278 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3933    1.3764   -4.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8396    1.3009   -2.8139 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9438    1.0153   -1.7702 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5079    0.8815   -0.4158 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8869    1.9367    0.1628 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3684   -0.1684    3.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9789   -1.1565    3.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8620    0.6519    3.5790 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0290    0.6168    1.0822 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1529   -1.1792    1.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7420    0.4345    2.2013 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8862   -1.3309    2.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6828   -2.0576   -0.5751 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3389   -1.4923   -1.5773 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9022   -3.6735   -0.5342 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0249   -3.0302    1.1053 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0270   -1.8523   -0.9344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3344   -3.3769   -0.0989 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4586   -0.9602    1.6013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4357   -2.4058    2.0642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3426   -1.0831   -1.8164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0295   -0.4497   -3.4936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4374   -0.4671   -2.9099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1577   -1.1006   -0.6335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6320    0.7731    0.4730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7957    0.8645    2.7877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1116    0.3393    3.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8329    2.9015    3.4408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2119    2.4724    2.8060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2473    4.3142    1.4771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6614    3.2734    1.1166 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1351    3.2218   -0.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4476    2.8889   -0.8256 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3776    1.0498    0.7736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9018    0.7410   -3.6409 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7038    1.2135   -5.4529 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0943    1.5881   -4.9309 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8934    1.4447   -2.6066 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  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
  9 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 32  4  1  0
 17 12  1  0
 24 19  1  0
 31 26  1  0
  1 34  1  0
  1 35  1  0
  1 36  1  0
  2 37  1  0
  2 38  1  0
  3 39  1  0
  3 40  1  0
  5 41  1  0
  5 42  1  0
  6 43  1  0
  6 44  1  0
  7 45  1  0
  7 46  1  0
  8 47  1  0
  8 48  1  0
 13 49  1  0
 14 50  1  0
 15 51  1  0
 16 52  1  0
 19 53  1  0
 20 54  1  0
 20 55  1  0
 21 56  1  0
 21 57  1  0
 22 58  1  0
 22 59  1  0
 23 60  1  0
 23 61  1  0
 24 62  1  0
 27 63  1  0
 28 64  1  0
 29 65  1  0
 30 66  1  0
M  END
$$$$
