A1MBK
  CCTOOLS-0828261229

 54 58  0  0  1  0  0  0  0  0999 V2000
    1.1530    0.3210    0.2180 C   0  0  0  0  0
   -1.9000    0.9470    0.8580 C   0  0  0  0  0
   -3.8050    0.2430   -0.3470 C   0  0  0  0  0
   -5.4870    2.1830    0.7210 C   0  0  0  0  0
   -7.0220   -0.4690   -1.9810 C   0  0  0  0  0
   -6.4030    3.2300    1.3000 C   0  0  0  0  0
    4.8920    2.0160    0.0400 C   0  0  0  0  0
    3.6520    0.1080    0.3380 C   0  0  0  0  0
    5.0820    1.2350   -1.2800 C   0  0  0  0  0
    4.2470   -0.0490   -1.0790 C   0  0  0  0  0
    4.8050    3.5180   -0.2380 C   0  0  0  0  0
    2.0860   -4.0040    0.9810 C   0  0  0  0  0
    1.9680   -1.7400    0.5880 C   0  0  0  0  0
    0.5660   -1.8400    0.5640 C   0  0  0  0  0
   -0.0230   -3.0960    0.7620 C   0  0  0  0  0
    0.0620   -0.4830    0.3150 C   0  0  0  0  0
   -1.3520   -0.0730    0.1950 C   0  0  0  0  0
   -3.3080    1.1630    0.5800 C   0  0  0  0  0
   -4.1830    2.1400    1.1090 C   0  0  0  0  0
   -5.9820    1.2700   -0.1990 C   0  0  0  0  0
   -5.1510    0.3060   -0.7350 C   0  0  0  0  0
    4.7460    4.2490    1.0350 N   0  0  0  0  0
    0.7730   -4.1420    0.9660 N   0  0  0  0  0
    2.6810   -2.8450    0.8000 N   0  0  0  0  0
    2.2880   -0.4250    0.3800 N   0  0  0  0  0
   -1.3980   -3.2440    0.7480 N   0  0  0  0  0
    3.6440    1.5310    0.5790 O   0  0  0  0  0
    6.4590    0.9110   -1.4770 O   0  0  0  0  0
    5.0840   -1.2060   -1.1460 O   0  0  0  0  0
   -5.6420   -0.5900   -1.6310 O   0  0  0  0  0
   -2.5280   -0.8630   -0.8370 S   0  0  0  0  0
    1.1280    1.3850    0.0360 H   0  0  0  0  0
   -1.3420    1.5600    1.5490 H   0  0  0  0  0
   -7.2830   -1.2430   -2.7020 H   0  0  0  0  0
   -7.6350   -0.5820   -1.0870 H   0  0  0  0  0
   -7.2000    0.5130   -2.4220 H   0  0  0  0  0
   -6.8700    2.8440    2.2060 H   0  0  0  0  0
   -5.8270    4.1240    1.5410 H   0  0  0  0  0
   -7.1740    3.4810    0.5720 H   0  0  0  0  0
    5.7120    1.8050    0.7260 H   0  0  0  0  0
    4.2800   -0.3980    1.0710 H   0  0  0  0  0
    4.7000    1.8110   -2.1230 H   0  0  0  0  0
    3.4520   -0.1080   -1.8220 H   0  0  0  0  0
    5.6850    3.8360   -0.7990 H   0  0  0  0  0
    3.9080    3.7290   -0.8200 H   0  0  0  0  0
    2.6970   -4.8790    1.1500 H   0  0  0  0  0
   -3.8130    2.8580    1.8260 H   0  0  0  0  0
   -7.0190    1.3120   -0.4960 H   0  0  0  0  0
    4.6880    5.2440    0.8780 H   0  0  0  0  0
    3.9760    3.9270    1.6010 H   0  0  0  0  0
   -1.9680   -2.4730    0.5980 H   0  0  0  0  0
   -1.7940   -4.1190    0.8860 H   0  0  0  0  0
    6.6360    0.4210   -2.2910 H   0  0  0  0  0
    5.4840   -1.3520   -2.0140 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 27  1  0  0  0
  7 40  1  0  0  0
  8 10  1  0  0  0
  8 27  1  0  0  0
  8 41  1  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
  9 42  1  0  0  0
 10 29  1  0  0  0
 10 43  1  0  0  0
 11 44  1  0  0  0
 11 45  1  0  0  0
 12 46  1  0  0  0
 13 14  1  0  0  0
 14 15  2  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 11  1  0  0  0
 22 49  1  0  0  0
 22 50  1  0  0  0
 23 12  2  0  0  0
 23 15  1  0  0  0
 24 13  2  0  0  0
 24 12  1  0  0  0
 25  1  1  0  0  0
 25  8  1  0  0  0
 25 13  1  0  0  0
 26 15  1  0  0  0
 26 51  1  0  0  0
 26 52  1  0  0  0
 28 53  1  0  0  0
 29 54  1  0  0  0
M  END
$$$$
