
     RDKit          3D

 80 83  0  0  0  0  0  0  0  0999 V2000
   -4.3158    3.4458    1.6898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6897    2.2609    0.9177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9010    2.4682   -0.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1630    0.8855    1.2918 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2468    0.7823    2.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5698    1.2833    1.7785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2426    2.0588    2.5111 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0968    0.9165    0.4929 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6752   -0.2348   -0.3065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0689   -1.5544    0.3816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0443   -2.7638   -0.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7220   -3.5487   -0.5612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5577   -2.8147   -1.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9075   -1.9570   -0.3005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7252   -1.2433   -0.5711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0210   -1.4076   -1.7783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8245   -0.7249   -2.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3072    0.1315   -1.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0028    0.8417   -1.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1157    0.1779   -0.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4703    0.8148   -0.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5668    1.8349   -1.3670 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6583    0.2763   -0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5883   -0.7002    1.1001 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7026   -1.7392    0.9509 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1081   -1.1065    0.9032 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0947    0.3925    0.5324 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4580    0.8699    0.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3057    1.6452    0.8435 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4479    1.8712    0.1637 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2782    1.2189   -1.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0925    0.5810   -1.0808 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6139   -0.1497   -2.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9737    0.7531   -0.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0116    0.3146    0.1715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2270   -0.3487    0.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0370   -0.0195    1.6335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7922    4.3847    1.4043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1816    3.3341    2.7872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3883    3.5874    1.4337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5953    2.3567    1.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3247    1.7165   -1.1672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5470    3.4748   -0.8966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9791    2.3801   -0.8508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4057   -0.2742    2.6051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9622    1.3110    3.2327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8780    1.4932    0.1128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1948   -0.1756   -1.2901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5902   -0.1810   -0.5177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4201   -1.7468    1.2582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1084   -1.4479    0.7632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3104   -2.4710   -1.6165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8382   -3.4693   -0.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8921   -4.4990   -1.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4490   -3.8263    0.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8372   -3.5762   -1.6069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9215   -2.2219   -2.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3895   -2.0600   -2.5571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2990   -0.8737   -2.9368 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2803    0.8198   -2.3164 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8946    1.9067   -0.9318 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8540    0.2478    0.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1824   -0.8955   -0.7042 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6207   -1.2406    1.1116 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6925   -0.1647    2.0678 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5305   -2.3075    0.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6490   -2.4600    1.7935 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7315   -1.6894    0.1926 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5849   -1.2135    1.9022 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8527    0.9497    1.4673 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1034    2.0270    1.8361 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0192    1.2127   -1.7952 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0020    0.5247   -2.8894 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0128   -1.0334   -1.9608 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4722   -0.5131   -2.8553 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9610    1.8591   -0.5696 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1592    0.3137   -1.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6184    0.9896    0.9227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4022    0.4377    2.4259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4008   -0.9829    2.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  1  0
 27 34  1  0
 18 35  1  0
 35 36  2  0
 36 37  1  0
 37  4  1  0
 36 15  1  0
 34 23  1  0
 32 28  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  2 41  1  0
  3 42  1  0
  3 43  1  0
  3 44  1  0
  5 45  1  0
  5 46  1  0
  8 47  1  0
  9 48  1  0
  9 49  1  0
 10 50  1  0
 10 51  1  0
 11 52  1  0
 11 53  1  0
 12 54  1  0
 12 55  1  0
 13 56  1  0
 13 57  1  0
 16 58  1  0
 17 59  1  0
 19 60  1  0
 19 61  1  0
 20 62  1  0
 20 63  1  0
 24 64  1  0
 24 65  1  0
 25 66  1  0
 25 67  1  0
 26 68  1  0
 26 69  1  0
 27 70  1  0
 29 71  1  0
 31 72  1  0
 33 73  1  0
 33 74  1  0
 33 75  1  0
 34 76  1  0
 34 77  1  0
 35 78  1  0
 37 79  1  0
 37 80  1  0
M  END
$$$$
