B6AK2Y
  -OEChem-04022109123D

 43 45  0     0  0  0  0  0  0999 V2000
    0.1825    0.8937   -1.5709 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1110    1.2327    1.1370 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5166    0.0386    2.6832 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0639   -0.4891    0.0360 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8651   -1.7416    2.2600 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3390   -2.6331   -0.1751 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2668    0.7007   -0.2124 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4663    1.8661   -0.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2631    1.9315   -0.8074 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3950    0.3208   -1.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8823   -0.5352    0.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6592    0.0408    0.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8211   -0.8218   -0.5483 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3139    0.0436   -2.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9149    2.9227    0.6506 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5138    3.0860   -0.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5370   -0.5325   -1.8829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5032    0.4432    0.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0768   -0.8680    0.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1379    4.0772    0.7461 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0765    4.1590    0.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4594   -1.0463    0.1864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2441   -1.9475   -0.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1501   -0.8257    1.8454 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1079   -1.4220   -0.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0094   -2.3043   -0.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7941   -3.2055   -0.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1768   -3.3838   -0.3551 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9100    0.2334    0.8619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8786   -0.0038   -0.8339 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0943    0.2690   -3.2656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8385    2.9426    1.2082 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4574    3.1716   -1.2445 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2605   -0.7509   -2.6643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4774    4.9137    1.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6802    5.0588    0.1372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1264   -0.2175    0.4091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1612   -1.8671   -0.1671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0860   -2.4432   -0.0237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1459   -4.0485   -0.6241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6049   -4.3636   -0.5454 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7021   -0.1636    3.6250 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267   -0.9015    0.2551 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 18  2  0  0  0  0
  3 24  1  0  0  0  0
  3 42  1  0  0  0  0
  4 25  1  0  0  0  0
  4 43  1  0  0  0  0
  5 24  2  0  0  0  0
  6 25  2  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  2  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 24  1  0  0  0  0
 12 29  1  0  0  0  0
 13 17  1  0  0  0  0
 13 25  1  0  0  0  0
 14 17  2  0  0  0  0
 14 31  1  0  0  0  0
 15 20  1  0  0  0  0
 15 32  1  0  0  0  0
 16 21  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 19 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  2  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 26  1  0  0  0  0
 22 37  1  0  0  0  0
 23 27  2  0  0  0  0
 23 38  1  0  0  0  0
 26 28  2  0  0  0  0
 26 39  1  0  0  0  0
 27 28  1  0  0  0  0
 27 40  1  0  0  0  0
 28 41  1  0  0  0  0
M  END

$$$$