
     RDKit          3D

 44 47  0  0  0  0  0  0  0  0999 V2000
    5.1188    2.0804    1.4871 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6753    0.9106    0.7392 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2846    0.6536    0.4999 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3218    1.5037    0.9730 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9865    1.2788    0.7537 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5847    0.1846    0.0377 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5301   -0.6645   -0.4298 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8553   -0.4619   -0.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5619   -1.4435   -0.8054 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6090   -2.2249   -1.3733 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8806   -3.2471   -2.0583 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3414   -1.7892   -1.1474 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1021   -2.3145   -1.7311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0455   -2.2102   -0.7606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1432   -3.1092    0.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1604   -2.9658    1.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0732   -1.9138    1.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9848   -0.9947    0.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9730   -1.1603   -0.8712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9105    0.0632    0.0725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9853    1.1159   -0.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3802    2.4221   -0.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8437    2.4098   -0.2362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3644    2.0012    1.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0481    2.1714    1.2825 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6961    2.0538    2.5135 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7857    3.0057    0.9714 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2271    2.0871    1.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3994    0.2519    0.3755 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5974   -1.5702   -0.8443 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2391   -3.3818   -2.0106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1211   -1.7588   -2.6674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4253   -3.9130    0.4179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333   -3.6626    2.0802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8475   -1.8030    1.8974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8639   -0.4679   -1.6903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5574    0.8365   -1.8743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0625    1.3080   -1.0821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8547    2.6835    0.6136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6581    3.2279   -1.0718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3918    1.7575   -1.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4726    3.4404   -0.4286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8496    2.6552    1.9182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6428    0.9540    1.3969 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  2  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  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
  8  3  1  0
 19 14  1  0
 25  5  1  0
 12  7  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  2 29  1  0
  9 30  1  0
 13 31  1  0
 13 32  1  0
 15 33  1  0
 16 34  1  0
 17 35  1  0
 19 36  1  0
 21 37  1  0
 21 38  1  0
 22 39  1  0
 22 40  1  0
 23 41  1  0
 23 42  1  0
 24 43  1  0
 24 44  1  0
M  END
$$$$
