
     RDKit          3D

 75 77  0  0  0  0  0  0  0  0999 V2000
    7.4254   -3.2560    1.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0396   -3.0845    0.6541 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6033   -4.3081   -0.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9416   -1.9033   -0.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5329   -1.2947   -0.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2229   -0.6533    1.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8414   -0.1766    1.2063 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3878    0.9532    0.4463 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    1.6087   -0.2622 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9303    1.3374    0.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1745    0.6339   -0.7060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3558   -0.7388   -0.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0711   -1.2926    0.7245 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1261   -1.4675   -1.3405 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5431   -1.1930   -1.6241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4340   -1.6011   -0.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4507   -3.0958   -0.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2475   -3.9012   -1.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2529   -5.2906   -0.9147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4613   -5.8849    0.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6587   -5.0918    0.8956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6526   -3.7015    0.7434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7547    0.2297   -2.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1430    0.6157   -3.1300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7062    1.1149   -1.4819 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8613    1.5465   -2.2713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5009    1.6344   -0.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2649    3.1574   -0.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9606    3.4455    0.3858 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4969    4.7235    0.7487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2934    5.8745    0.5928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8324    7.1160    1.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5804    7.2227    1.6421 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2301    6.0944    1.7823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2104    4.8472    1.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6822    3.6748    1.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3555    3.4682    2.4522 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8030    2.7876    0.2879 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5087   -4.1551    1.7668 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1297   -3.3581    0.2634 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7261   -2.3828    1.7372 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6519   -5.1806    0.6415 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2363   -4.5144   -0.9367 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5453   -4.2144   -0.3647 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6631   -1.1071    0.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1973   -2.1696   -1.2902 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7655   -2.0629   -0.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4717   -0.5180   -0.9921 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3691   -1.4068    1.9666 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9144    0.1933    1.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1787   -0.6484    1.8619 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4685    1.0538    1.4217 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8215    0.5647   -1.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6860    1.2688   -0.9890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7959   -2.4370   -1.5487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8435   -1.8290   -2.4869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0820   -1.1119    0.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4801   -1.2645   -0.6025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8604   -3.4482   -1.8451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8707   -5.9050   -1.5585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4626   -6.9602    0.1909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0405   -5.5540    1.6545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0247   -3.1013    1.3853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5507    2.1681   -1.6605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4200    0.6578   -2.6365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5163    2.1412   -3.1429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6430    1.1257    0.3649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3998    1.3983    0.4858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0339    3.6352    0.5259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3553    3.5826   -1.1476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2713    5.8217    0.1348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4504    7.9969    0.9124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2303    8.1857    1.9928 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2099    6.2006    2.2304 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6461    3.1839   -0.6664 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  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 15 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  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
 36 38  1  0
 38 10  1  0
 22 17  1  0
 35 30  1  0
  1 39  1  0
  1 40  1  0
  1 41  1  0
  3 42  1  0
  3 43  1  0
  3 44  1  0
  4 45  1  0
  4 46  1  0
  5 47  1  0
  5 48  1  0
  6 49  1  0
  6 50  1  0
  7 51  1  0
 10 52  1  0
 11 53  1  0
 11 54  1  0
 14 55  1  0
 15 56  1  0
 16 57  1  0
 16 58  1  0
 18 59  1  0
 19 60  1  0
 20 61  1  0
 21 62  1  0
 22 63  1  0
 26 64  1  0
 26 65  1  0
 26 66  1  0
 27 67  1  0
 27 68  1  0
 28 69  1  0
 28 70  1  0
 31 71  1  0
 32 72  1  0
 33 73  1  0
 34 74  1  0
 38 75  1  0
M  END
$$$$
