
     RDKit          3D

 95 99  0  0  0  0  0  0  0  0999 V2000
    8.3023   -1.9674    2.6212 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082   -0.8539    2.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3460   -0.9000    0.6029 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6026   -0.4678   -0.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2305    0.2263   -1.3211 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8897    0.8502   -1.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2704   -0.0428    0.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1652   -0.9438   -0.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9927   -0.1667   -0.9201 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9193   -0.7722   -1.6563 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1055   -1.8921   -2.2103 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6352   -0.0108   -1.9078 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0130    0.5943   -0.6289 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0072    1.7155   -0.9533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8170    2.0656    0.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2287    2.3142    1.3427 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2536    2.0789    0.2269 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0472    2.7546   -0.8132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4574    3.1180   -0.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4123    4.0836    0.8546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1372    5.4430    0.6298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0839    6.3363    1.7037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3002    5.8795    3.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5723    4.5278    3.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6309    3.6322    2.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1746    1.9266   -2.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6471    2.3842   -3.1289 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9393    0.6951   -2.1511 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5360    0.3619   -3.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7860   -0.3339   -1.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0546   -1.1999   -0.9062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0306   -1.9085    0.4262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5354   -3.2207    0.5282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4485   -3.8479    1.7760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8506   -3.1696    2.9293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3374   -1.8617    2.8371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4277   -1.2308    1.5918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5292   -1.1763   -1.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9492   -1.5893   -0.1473 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8245   -2.4156    0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6878   -2.9925    1.3008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3546   -3.8755    1.5822 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2746   -4.2059    0.5909 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1703   -3.6301   -0.6760 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1628   -2.6900   -0.9633 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1325   -2.1220   -2.3261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3733   -2.8218   -3.2446 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6536   -0.8154   -2.6613 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3566   -1.8153    2.3042 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9457   -2.9538    2.2556 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2686   -1.9646    3.7313 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3906   -1.0168    2.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7719    0.1364    2.4408 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1663    0.2522    0.6098 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2478   -1.3494   -0.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9822    0.9942   -1.6118 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1221   -0.5243   -2.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2730    0.9274   -1.9410 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0459    1.8746   -0.6092 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8239    0.6099    0.8494 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542   -1.6812    0.2580 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5694   -1.5046   -1.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9495    0.8568   -0.7116 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9337    0.8449   -2.5560 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021    1.0351    0.0141 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5241   -0.1928   -0.0296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6427    1.3973   -1.7846 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5558    2.6214   -1.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7213    1.8512    1.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5313    3.7087   -1.0704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0055    2.1965   -0.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0379    3.5848   -1.1268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9638    5.8102   -0.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8759    7.3833    1.5248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2525    6.5730    3.8364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7378    4.1729    4.2498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8475    2.5884    2.3604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0398   -0.6210   -3.4546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7505    0.3372   -4.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2895    1.1333   -3.7211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6463    0.1739   -0.1331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9575   -0.5495   -0.9533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1518   -1.9560   -1.7155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2008   -3.7518   -0.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0626   -4.8583    1.8500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7801   -3.6546    3.8962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6401   -1.3321    3.7316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7897   -0.2107    1.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7760   -2.0592   -2.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8089   -0.5430   -1.9247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4113   -2.7690    2.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4330   -4.3223    2.5654 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0664   -4.9154    0.7986 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8782   -3.9296   -1.4377 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3970   -0.4512   -3.6069 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  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  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 18 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 30 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  2  0
 45 46  1  0
 46 47  2  0
 46 48  1  0
  7  3  1  0
 48 12  1  0
 25 20  1  0
 37 32  1  0
 45 40  1  0
  1 49  1  0
  1 50  1  0
  1 51  1  0
  2 52  1  0
  2 53  1  0
  4 54  1  0
  4 55  1  0
  5 56  1  0
  5 57  1  0
  6 58  1  0
  6 59  1  0
  7 60  1  0
  8 61  1  0
  8 62  1  0
  9 63  1  0
 12 64  1  0
 13 65  1  0
 13 66  1  0
 14 67  1  0
 14 68  1  0
 17 69  1  0
 18 70  1  0
 19 71  1  0
 19 72  1  0
 21 73  1  0
 22 74  1  0
 23 75  1  0
 24 76  1  0
 25 77  1  0
 29 78  1  0
 29 79  1  0
 29 80  1  0
 30 81  1  0
 31 82  1  0
 31 83  1  0
 33 84  1  0
 34 85  1  0
 35 86  1  0
 36 87  1  0
 37 88  1  0
 38 89  1  0
 38 90  1  0
 41 91  1  0
 42 92  1  0
 43 93  1  0
 44 94  1  0
 48 95  1  0
M  END
$$$$
