
     RDKit          3D

 49 52  0  0  0  0  0  0  0  0999 V2000
    1.1399    2.6584   -3.5731 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7577    1.7734   -2.3831 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5652    2.1009   -1.9573 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9314    1.9992   -0.6133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0050    0.7490    0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1855    0.6503    1.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3787    1.8343    2.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3798    3.0383    1.4875 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1682    3.1518    0.1492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1389    4.4486   -0.4507 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1416   -0.6652    2.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3032   -1.7556    1.8202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5932   -2.7532    2.6810 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5613   -2.3360    3.4796 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1760   -3.1720    4.5048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9234   -1.0838    3.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0230   -0.3651    3.7365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9053    0.2104    4.2153 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7288   -1.9161    0.7331 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6909   -0.7972    0.6810 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3689   -0.3812    1.9154 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1600   -0.2387   -0.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1101    0.5914   -0.5705 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5800   -0.6293   -1.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7317   -1.9627   -2.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1248   -2.4159   -3.4712 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3582   -1.5450   -4.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2558   -1.9960   -5.3632 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2283   -0.2070   -3.8657 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8743    0.2886   -2.7144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1316    2.3580   -3.9742 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3822    2.5992   -4.3814 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2015    3.7175   -3.2435 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4644    2.0573   -1.5778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9144   -0.1373   -0.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5039    1.8088    3.1922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9666    4.5722   -1.4732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2957    5.2992    0.1342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1904   -3.4802    4.1755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5604   -4.0800    4.6787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2528   -2.6073    5.4579 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1797   -2.0442   -0.2171 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2947   -2.8569    0.9036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1488    0.6882    2.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0372   -0.9815    2.7887 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4661   -0.5188    1.8114 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3013   -2.6621   -1.7006 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2345   -3.4504   -3.7702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3760    0.4439   -4.4832 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  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
  6 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  3  0
 12 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 27 29  1  0
 29 30  2  0
 30  2  1  0
  9  4  2  0
 16 11  2  0
 30 24  1  0
  1 31  1  0
  1 32  1  0
  1 33  1  0
  2 34  1  1
  5 35  1  0
  7 36  1  0
 10 37  1  0
 10 38  1  0
 15 39  1  0
 15 40  1  0
 15 41  1  0
 19 42  1  0
 19 43  1  0
 21 44  1  0
 21 45  1  0
 21 46  1  0
 25 47  1  0
 26 48  1  0
 29 49  1  0
M  END
$$$$
