
     RDKit          3D

 66 70  0  0  0  0  0  0  0  0999 V2000
    3.9286   -2.5207   -0.5163 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4605   -1.8071    0.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1816   -2.2253    1.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9684   -1.6805    0.4446 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7992   -2.1333   -0.9357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5962   -1.7418   -1.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9444   -0.3769   -1.2170 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4906    0.2728   -0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5420    0.1736    1.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8620   -1.2251    1.7072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3768   -1.4654    1.8415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0785   -1.6321    0.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2939   -0.7424    0.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4827   -1.1127    0.9863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6235   -0.3161    0.8829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5877    0.8632    0.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4112    1.2511   -0.5066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2475    0.4631   -0.4039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0393    0.8524   -1.0082 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8259    2.0857   -1.6930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3366    2.2779   -1.9772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5949    2.4954   -0.7317 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4110    1.7597   -0.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6958    2.3711   -0.4074 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9094   -0.2180    0.4642 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1459   -0.6185    0.8392 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2522   -0.0384    0.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2903   -0.0263   -1.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3810    0.5443   -1.9699 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4011    1.1049   -1.2074 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3579    1.1211    0.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2972    0.5699    0.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4935    1.7363    0.6357 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3057    2.1213   -0.4822 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5695    1.7042   -1.6390 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1231   -3.3351    1.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2055   -1.9085    2.1542 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8926   -3.2394   -0.9930 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5618   -1.6801   -1.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6364   -1.9376   -2.5082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3638   -2.4067   -0.9825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4807    0.6541    0.8073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1985    0.8088    1.9775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4255   -2.0492    1.1285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4050   -1.3044    2.7157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8310   -0.6403    2.4385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5277   -2.3992    2.4275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3948   -2.6924    0.3582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3815   -1.4461   -0.3685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5245   -2.0197    1.5759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5328   -0.6044    1.3926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4750    1.4788    0.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4178    2.1711   -1.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1876    2.9379   -1.0792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3788    2.0682   -2.6545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2097    3.1694   -2.6281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9374    1.4100   -2.5396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7661    3.3904   -0.2213 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7151    0.1904   -0.1871 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0970    0.1595    1.4937 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8689   -0.1915    1.7514 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4723   -0.4354   -1.8683 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4245    0.5503   -3.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2912    0.5950    1.9429 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2819    1.5959   -0.4415 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4476    3.2231   -0.4916 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
 11 12  1  0
 12 13  1  0
 13 14  2  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  1  0
 22 23  1  0
 23 24  2  0
  8 25  1  0
  2 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  1  0
 34 35  1  0
 25  4  1  0
 32 27  1  0
 23  8  1  0
 35 30  1  0
 18 13  1  0
  3 36  1  0
  3 37  1  0
  5 38  1  0
  5 39  1  0
  6 40  1  0
  6 41  1  0
  9 42  1  0
  9 43  1  0
 10 44  1  0
 10 45  1  0
 11 46  1  0
 11 47  1  0
 12 48  1  0
 12 49  1  0
 14 50  1  0
 15 51  1  0
 16 52  1  0
 17 53  1  0
 20 54  1  0
 20 55  1  0
 21 56  1  0
 21 57  1  0
 22 58  1  0
 25 59  1  0
 25 60  1  0
 26 61  1  0
 28 62  1  0
 29 63  1  0
 32 64  1  0
 34 65  1  0
 34 66  1  0
M  END
$$$$
