
     RDKit          3D

 81 84  0  0  0  0  0  0  0  0999 V2000
    9.2704   -1.1018    1.4683 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1222   -0.7705    0.6966 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9352    0.4506    0.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9567    1.4150   -0.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7211    2.6177   -0.7371 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4669    2.8752   -1.2987 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4346    1.9361   -1.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1837    2.2623   -1.7425 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9997    1.4684   -1.6491 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4390    1.4578   -0.2479 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0589    2.0786    0.6592 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1994    0.7715    0.0625 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4930    1.0567    1.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1356    1.7623    1.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0135    1.2302    1.9574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3557   -0.2670    1.7240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6695   -0.6392    0.9569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8901   -0.2880    1.8644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1925   -0.1945    1.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1550    0.8672    0.0149 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0301    0.5354   -1.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4790    0.6112   -0.7253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1024    1.8598   -0.5833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4358    1.9205   -0.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1156    0.7775    0.1064 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5342   -0.4434   -0.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2054   -0.5508   -0.4325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7892    1.2550   -0.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8032    0.0739   -0.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6024   -2.1558    0.7005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6097   -2.8868    0.9026 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4152   -2.7716    0.2794 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9280   -2.6840   -1.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552   -3.3538   -1.1994 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8040   -3.3925   -2.5588 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6211   -2.7403   -0.3506 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2012   -2.4736    0.9611 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3562   -1.5132   -0.9669 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5948   -0.1712   -0.8997 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6817    0.7131   -0.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1416   -2.1203    1.8928 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3878   -0.3804    2.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1821   -1.0986    0.8319 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9354    1.2427    0.3644 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5086    3.3576   -0.8175 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2931    3.8178   -1.8069 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2381    1.9302   -2.3137 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1949    0.4432   -2.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0997    1.7076    1.9929 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3789    0.1090    1.8932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1591    1.7093    0.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2617    2.8469    1.2868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7094    1.3615    3.0198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8982    1.8780    1.8186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3954   -0.7605    2.7226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5074   -0.7445    1.2198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7444    0.6895    2.3734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0049   -1.0414    2.6768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0239    0.0295    1.7587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4079   -1.1898    0.6078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8856    1.2618   -1.9628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7766   -0.4653   -1.5448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5624    2.7783   -0.7839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9236    2.8791   -0.0692 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1021   -1.3346    0.2190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7473   -1.5295   -0.5179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7947    1.7241   -1.4274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4244    2.0494    0.2585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8199    0.4278   -0.7900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1792   -0.6376   -1.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9023   -1.6428   -1.4252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6449   -3.2171   -1.7256 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3146   -4.4040   -0.8471 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5130   -4.0816   -2.6538 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -3.5488   -0.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0159   -2.4202    1.5285 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3316   -1.4059   -0.4442 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6122   -1.7299   -2.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5521    0.2948   -1.9076 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5512   -0.3475   -0.6306 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9051   -0.0355   -0.4519 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  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  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 20 28  1  0
 28 29  1  0
 17 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
  7 40  2  0
 40  3  1  0
 39 12  1  0
 29 17  1  0
 27 22  1  0
  1 41  1  0
  1 42  1  0
  1 43  1  0
  4 44  1  0
  5 45  1  0
  6 46  1  0
  9 47  1  0
  9 48  1  0
 13 49  1  0
 13 50  1  0
 14 51  1  0
 14 52  1  0
 15 53  1  0
 15 54  1  0
 16 55  1  0
 16 56  1  0
 18 57  1  0
 18 58  1  0
 19 59  1  0
 19 60  1  0
 21 61  1  0
 21 62  1  0
 23 63  1  0
 24 64  1  0
 26 65  1  0
 27 66  1  0
 28 67  1  0
 28 68  1  0
 29 69  1  0
 29 70  1  0
 33 71  1  0
 33 72  1  0
 34 73  1  0
 35 74  1  0
 36 75  1  0
 37 76  1  0
 38 77  1  0
 38 78  1  0
 39 79  1  0
 39 80  1  0
 40 81  1  0
M  END
$$$$
