A1MBJ
  CCTOOLS-0828261229

 53 57  0  0  1  0  0  0  0  0999 V2000
    1.1410    0.3020    0.2170 C   0  0  0  0  0
   -1.9070    0.9450    0.8590 C   0  0  0  0  0
   -3.8170    0.2540   -0.3450 C   0  0  0  0  0
   -5.4860    2.2030    0.7260 C   0  0  0  0  0
   -7.0390   -0.4370   -1.9780 C   0  0  0  0  0
   -6.3960    3.2560    1.3060 C   0  0  0  0  0
    4.8910    1.9750    0.0370 C   0  0  0  0  0
    3.6390    0.0730    0.3340 C   0  0  0  0  0
    5.0740    1.1950   -1.2840 C   0  0  0  0  0
    4.2320   -0.0840   -1.0840 C   0  0  0  0  0
    4.8120    3.4780   -0.2380 C   0  0  0  0  0
    2.0510   -4.0300    0.9720 C   0  0  0  0  0
    1.9440   -1.7640    0.5820 C   0  0  0  0  0
    0.5420   -1.8570    0.5600 C   0  0  0  0  0
   -0.0540   -3.1090    0.7580 C   0  0  0  0  0
    0.0460   -0.4960    0.3140 C   0  0  0  0  0
   -1.3660   -0.0770    0.1950 C   0  0  0  0  0
   -3.3140    1.1690    0.5820 C   0  0  0  0  0
   -4.1830    2.1510    1.1130 C   0  0  0  0  0
   -5.9870    1.2930   -0.1950 C   0  0  0  0  0
   -5.1630    0.3260   -0.7320 C   0  0  0  0  0
    0.7360   -4.1600    0.9590 N   0  0  0  0  0
    2.6520   -2.8740    0.7910 N   0  0  0  0  0
    2.2720   -0.4510    0.3760 N   0  0  0  0  0
   -1.4300   -3.2490    0.7450 N   0  0  0  0  0
    3.6400    1.4970    0.5770 O   0  0  0  0  0
    6.4500    0.8640   -1.4830 O   0  0  0  0  0
    5.0620   -1.2460   -1.1540 O   0  0  0  0  0
    4.7600    4.1870    1.0010 O   0  0  0  0  0
   -5.6600   -0.5680   -1.6290 O   0  0  0  0  0
   -2.5470   -0.8590   -0.8370 S   0  0  0  0  0
    1.1220    1.3660    0.0370 H   0  0  0  0  0
   -1.3450    1.5540    1.5520 H   0  0  0  0  0
   -7.6520   -0.5480   -1.0840 H   0  0  0  0  0
   -7.2110    0.5460   -2.4180 H   0  0  0  0  0
   -7.3060   -1.2090   -2.7000 H   0  0  0  0  0
   -6.8650    2.8720    2.2110 H   0  0  0  0  0
   -5.8140    4.1450    1.5470 H   0  0  0  0  0
   -7.1650    3.5120    0.5770 H   0  0  0  0  0
    5.7100    1.7580    0.7230 H   0  0  0  0  0
    4.2660   -0.4370    1.0650 H   0  0  0  0  0
    4.6940    1.7750   -2.1250 H   0  0  0  0  0
    3.4360   -0.1380   -1.8270 H   0  0  0  0  0
    5.6930    3.7910   -0.7990 H   0  0  0  0  0
    3.9150    3.6950   -0.8190 H   0  0  0  0  0
    2.6560   -4.9090    1.1380 H   0  0  0  0  0
   -3.8090    2.8660    1.8310 H   0  0  0  0  0
   -7.0240    1.3430   -0.4930 H   0  0  0  0  0
   -1.9950   -2.4740    0.5980 H   0  0  0  0  0
   -1.8300   -4.1220    0.8830 H   0  0  0  0  0
    7.0330    1.6320   -1.5540 H   0  0  0  0  0
    5.4600   -1.3930   -2.0230 H   0  0  0  0  0
    4.7090    5.1480    0.9030 H   0  0  0  0  0
  1 16  2  0  0  0
  1 32  1  0  0  0
  2 18  1  0  0  0
  2 33  1  0  0  0
  3 21  1  0  0  0
  3 31  1  0  0  0
  4 20  1  0  0  0
  4  6  1  0  0  0
  5 30  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6 37  1  0  0  0
  6 38  1  0  0  0
  6 39  1  0  0  0
  7  9  1  0  0  0
  7 11  1  0  0  0
  7 26  1  0  0  0
  7 40  1  0  0  0
  8 10  1  0  0  0
  8 26  1  0  0  0
  8 41  1  0  0  0
  9 10  1  0  0  0
  9 27  1  0  0  0
  9 42  1  0  0  0
 10 28  1  0  0  0
 10 43  1  0  0  0
 11 29  1  0  0  0
 11 44  1  0  0  0
 11 45  1  0  0  0
 12 46  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 16  1  0  0  0
 16 17  1  0  0  0
 17  2  2  0  0  0
 17 31  1  0  0  0
 18  3  2  0  0  0
 18 19  1  0  0  0
 19  4  2  0  0  0
 19 47  1  0  0  0
 20 21  2  0  0  0
 20 48  1  0  0  0
 21 30  1  0  0  0
 22 12  1  0  0  0
 22 15  2  0  0  0
 23 13  1  0  0  0
 23 12  2  0  0  0
 24  1  1  0  0  0
 24  8  1  0  0  0
 24 13  1  0  0  0
 25 15  1  0  0  0
 25 49  1  0  0  0
 25 50  1  0  0  0
 27 51  1  0  0  0
 28 52  1  0  0  0
 29 53  1  0  0  0
M  END
$$$$
