BW6I1V
  -OEChem-04022109553D

 50 52  0     1  0  0  0  0  0999 V2000
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    1.6782    2.0431    0.0439 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.9027    0.0776    0.8419 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7782   -2.7202   -1.2271 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4824   -0.8502   -0.9137 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6385    1.3150    0.0668 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1817    0.0448    0.8204 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3477    2.4549    0.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0593    1.7403    0.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0368    0.8793    0.7921 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9852   -1.1880    0.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6473    2.6394   -0.6147 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4487    0.5005    0.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6559   -1.9122    1.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0772   -1.6297   -0.8435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9591    2.7129   -0.8835 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4474    0.4845    1.3919 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7553    0.1664   -0.9010 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0030    1.9044   -0.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7527    0.1342    1.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0605   -0.1839   -1.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4168   -3.3986   -0.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0592   -0.2001   -0.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2302    0.5598   -0.8603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2785   -0.2673   -0.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3963   -0.5588   -0.6265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5715    1.1086   -1.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2491    0.2198    1.9030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1333    3.3317   -0.2681 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3068    2.7753    1.3985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6856    0.8546    0.5624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0549    2.2680    1.3938 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9849    1.1089    1.8650 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5701   -1.1185   -1.6555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2982    3.3902   -1.6627 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2241    0.7424    2.4236 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9866    0.1745   -1.6694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9373    2.4804   -0.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7448    1.7598    0.8856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9189   -3.6191    1.8369 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5203    0.1262    1.8164 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2838   -0.4420   -2.2789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9738   -4.2696   -0.5768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5690    0.7217   -1.8904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3035   -0.0241   -0.8845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1325   -2.0136   -0.3023 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3 27  1  0  0  0  0
  3 50  1  0  0  0  0
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 10 13  1  0  0  0  0
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 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
M  END

$$$$