
     RDKit          3D

 50 53  0  0  0  0  0  0  0  0999 V2000
   -3.1951   -1.1786    2.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7358    0.0588    1.8233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9286    1.2967    2.3108 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3673    2.1513    1.4717 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4192    3.5973    1.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7920    1.4912    0.4383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0459    0.1285    0.6201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5045   -1.0217   -0.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2909   -2.1255   -0.4737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6975   -3.2177   -1.0279 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3541   -3.2670   -1.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2271   -4.4352   -1.8312 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4318   -2.1570   -0.9089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1733   -1.0800   -0.3506 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8186   -2.1543   -1.1173 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5993   -0.9555   -1.2082 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0635   -1.3208   -1.4584 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4432   -0.0811    0.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9048   -0.5596    1.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7082    0.1795    2.4476 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1633   -0.2954    3.6332 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0319    1.3981    2.4005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5409    1.8796    1.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    1.1506    0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1341    1.6656   -1.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8782    2.2237   -2.0931 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    1.4540   -1.5389 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6104    0.9069   -2.8505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2814    2.2020   -0.7998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0951   -1.5833    2.0193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3894   -1.9423    2.5199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4523   -0.9445    3.5805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3893    4.0008    1.7571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9822    3.8430    2.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9291    4.0737    0.7991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3588   -2.1250   -0.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3756   -5.2499   -2.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2530   -4.4973   -2.0154 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2694   -0.4114   -2.1154 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6888   -0.4029   -1.4877 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1562   -1.8404   -2.4358 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4476   -2.0010   -0.6702 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4015   -1.5184    1.3488 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8759    1.9664    3.3083 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0043    2.8201    1.1719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1321    0.1445   -3.1666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6402    1.7234   -3.6025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6050    0.4145   -2.8047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8721    3.1976   -0.5265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1595    2.3979   -1.4531 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
  7  2  1  0
 14  8  1  0
 24 18  1  0
 29  6  1  0
  1 30  1  0
  1 31  1  0
  1 32  1  0
  5 33  1  0
  5 34  1  0
  5 35  1  0
  9 36  1  0
 12 37  1  0
 12 38  1  0
 16 39  1  6
 17 40  1  0
 17 41  1  0
 17 42  1  0
 19 43  1  0
 22 44  1  0
 23 45  1  0
 28 46  1  0
 28 47  1  0
 28 48  1  0
 29 49  1  0
 29 50  1  0
M  END
$$$$
