B47CBX
  -OEChem-04022106213D

 45 48  0     0  0  0  0  0  0999 V2000
    1.7063   -2.5961    0.5319 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7109   -1.2690   -1.0571 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5414   -1.5847   -0.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4814   -0.6122   -0.6051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -2.0744   -1.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4566   -0.1917    0.3304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5626   -2.1345    1.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9128   -0.6990   -0.2157 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7995    0.6571    0.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -0.0479   -1.8911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4634   -0.7562    1.6164 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7504   -1.5981   -0.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5218   -1.7212    1.9752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3967    0.7807   -0.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5223    1.2425    0.4489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4164    0.9172   -2.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -1.2354   -0.5575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3754    1.3309   -1.3297 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9275    1.4768    0.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2824   -0.4158   -0.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1689    0.9403   -0.2868 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9873    2.2747   -0.3217 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8285    0.7734    1.5643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2415    2.8378    0.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4003    1.3363    1.9089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9352    2.3686    1.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8004   -2.0891   -2.2127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2351   -3.1188   -0.9378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8432   -2.8914    1.3551 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7906   -0.4510   -1.6541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7430   -0.3149   -2.6466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2034   -0.4474    2.3517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5382   -2.1498    2.9731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1546    1.1196    0.6553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3981    1.3497   -3.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2571   -2.2901   -0.8000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8650    2.5355    0.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1069    2.0836   -1.6089 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2490   -0.8334   -0.8591 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0477    1.5780   -0.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5075    2.6502   -1.1998 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2326   -0.0182    2.1909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6597    3.6396   -0.5784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9351    0.9790    2.7838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8911    2.8081    1.4078 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2  5  1  0  0  0  0
  2 12  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  2  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6 11  1  0  0  0  0
  6 14  2  0  0  0  0
  7 13  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 17  2  0  0  0  0
  9 15  1  0  0  0  0
  9 19  2  0  0  0  0
 10 16  1  0  0  0  0
 10 31  1  0  0  0  0
 11 13  2  0  0  0  0
 11 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 18  1  0  0  0  0
 14 34  1  0  0  0  0
 15 22  2  0  0  0  0
 15 23  1  0  0  0  0
 16 18  2  0  0  0  0
 16 35  1  0  0  0  0
 17 20  1  0  0  0  0
 17 36  1  0  0  0  0
 18 38  1  0  0  0  0
 19 21  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  2  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 24  1  0  0  0  0
 22 41  1  0  0  0  0
 23 25  2  0  0  0  0
 23 42  1  0  0  0  0
 24 26  2  0  0  0  0
 24 43  1  0  0  0  0
 25 26  1  0  0  0  0
 25 44  1  0  0  0  0
 26 45  1  0  0  0  0
M  END

$$$$