
     RDKit          3D

 95 98  0  0  0  0  0  0  0  0999 V2000
    0.0916    3.6034    2.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3666    2.6360    1.4512 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3889    3.3106    0.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1538    2.4722   -0.9805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6798    2.7119   -0.9332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4631    1.4533   -1.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5365    0.6027   -0.1857 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6176   -0.7663   -0.5443 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5353   -1.4674    0.4757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8925   -0.8995    0.4215 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3121    0.0799    1.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8303   -1.3713   -0.5709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4889   -2.2647   -1.3916 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2087   -0.8578   -0.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2710   -1.6507   -0.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5731   -1.1394   -0.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8006    0.1140   -0.6903 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7864    0.8943   -1.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4690    0.4255   -1.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1797   -1.3706   -0.5975 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1771   -2.8472   -1.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4076   -1.1612    0.7309 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0416   -1.4445    0.6364 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7232   -2.2841    1.6448 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5357   -1.7201    3.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2606   -3.7450    1.5579 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5885   -4.2677    0.2997 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8563   -0.7868   -0.3541 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7392   -1.1083   -1.5664 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    0.1623    0.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1980    0.0123   -0.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2414    0.8861   -0.2073 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5470    0.6700   -0.7699 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5271    1.7100   -0.9106 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1474    2.8882   -1.1550 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0125    1.4357   -0.7947 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6169    0.7863   -2.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5048   -0.7448   -2.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0108   -1.3750   -0.7981 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2548   -0.8270    0.4129 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3909    0.6974    0.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0093    1.9051    0.7284 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7413    2.0746    1.2886 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6809    1.2272    0.9290 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3895    1.4122    1.4491 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9343    4.2396    2.2123 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3903    3.0383    3.4603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7443    4.2841    2.8237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4112    2.3559    1.7116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8499    4.3215    0.1351 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6559    3.4570   -0.2902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7889    2.7392   -1.9959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9152    1.4009   -0.8301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0054    3.0418    0.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9363    3.5343   -1.6370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9796    0.9805   -2.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4954    1.7473   -1.6041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0930   -0.9079   -1.5444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1191   -1.3561    1.4974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5853   -2.5588    0.2839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4865    0.3203    2.1304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6117    1.0237    0.9317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1688   -0.3201    2.0075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0942   -2.6472    0.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4019   -1.7355    0.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0036    1.8846   -1.5316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6645    1.0551   -1.5004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6599   -0.8116   -1.3997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8400   -2.9985   -1.8992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1541   -3.1530   -1.3183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5116   -3.5016   -0.1922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5340   -0.1169    1.0681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8728   -1.7884    1.5161 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8195   -2.2848    1.4492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5231   -1.7869    3.3901 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1617   -2.2933    3.7775 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8584   -0.6581    3.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7766   -4.3402    2.3432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8350   -3.8227    1.7322 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2508   -5.1998    0.2931 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3857   -0.7982   -1.2289 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7569   -0.2721   -1.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4962    2.4371   -0.7153 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424    1.2119   -2.9711 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6969    1.0486   -2.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622   -1.0584   -2.2918 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1158   -1.1304   -2.9397 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0985   -1.1719   -0.6813 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8731   -2.4753   -0.8461 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1900   -1.1267    0.3680 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6760   -1.2821    1.3331 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7734    1.0713    1.3560 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4524    0.9314    0.7527 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8123    2.5560    1.0482 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6121    2.8441    2.0285 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  1  0
 10 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
  8 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 23 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 32 42  2  0
 42 43  1  0
 43 44  2  0
 44 45  1  0
 45  2  1  0
 19 14  1  0
 44 30  1  0
 41 36  1  0
  1 46  1  0
  1 47  1  0
  1 48  1  0
  2 49  1  1
  3 50  1  0
  3 51  1  0
  4 52  1  0
  4 53  1  0
  5 54  1  0
  5 55  1  0
  6 56  1  0
  6 57  1  0
  8 58  1  6
  9 59  1  0
  9 60  1  0
 11 61  1  0
 11 62  1  0
 11 63  1  0
 15 64  1  0
 16 65  1  0
 18 66  1  0
 19 67  1  0
 20 68  1  6
 21 69  1  0
 21 70  1  0
 21 71  1  0
 22 72  1  0
 22 73  1  0
 24 74  1  6
 25 75  1  0
 25 76  1  0
 25 77  1  0
 26 78  1  0
 26 79  1  0
 27 80  1  0
 31 81  1  0
 33 82  1  0
 36 83  1  0
 37 84  1  0
 37 85  1  0
 38 86  1  0
 38 87  1  0
 39 88  1  0
 39 89  1  0
 40 90  1  0
 40 91  1  0
 41 92  1  0
 41 93  1  0
 42 94  1  0
 43 95  1  0
M  END
$$$$
