A1IJH
  CCTOOLS-0807261401

 72 80  0  0  1  0  0  0  0  0999 V2000
    3.2270    0.1960    3.2010 C   0  0  0  0  0
    3.5290    1.5090    2.4670 C   0  0  0  0  0
    2.5190    1.8830    1.3950 C   0  0  0  0  0
    0.8930    2.0580    1.7810 S   0  5  0  0  0
    2.8910    2.1650    0.1320 C   0  0  0  0  0
    1.7610    2.8720   -0.8860 S   0  5  0  0  0
   -0.1720    2.7080    0.0330 W   0  0  0  0  0
    4.2930    1.8590   -0.4170 C   0  0  0  0  0
    4.1640    1.1090   -1.6680 N   0  0  0  0  0
    4.3890   -0.2540   -1.7740 C   0  0  0  0  0
    4.0360   -0.9810   -2.9700 C   0  0  0  0  0
    3.5460   -0.4880   -3.9810 O   0  0  0  0  0
    4.3000   -2.3460   -2.9280 N   0  0  0  0  0
    4.8450   -2.9530   -1.8310 C   0  0  0  0  0
    5.0600   -4.2650   -1.8890 N   0  0  0  0  0
    5.1600   -2.2900   -0.7160 N   0  0  0  0  0
    4.9380   -0.9530   -0.6830 C   0  0  0  0  0
    5.2760   -0.3070    0.4660 N   0  0  0  0  0
    5.2410    1.1490    0.6050 C   0  0  0  0  0
    4.8860    1.4440    1.9720 O   0  0  0  0  0
   -2.0700   -1.6150   -2.3340 C   0  0  0  0  0
   -2.6190   -0.1960   -2.1970 C   0  0  0  0  0
   -2.0450    0.6140   -1.0450 C   0  0  0  0  0
   -0.3900    0.7440   -0.7960 S   0  5  0  0  0
   -2.8350    1.3220   -0.2120 C   0  0  0  0  0
   -2.1010    2.3260    0.9090 S   0  5  0  0  0
   -4.3670    1.2570   -0.2610 C   0  0  0  0  0
   -4.9060    0.4930    0.8660 N   0  0  0  0  0
   -6.1240   -0.1730    0.8060 C   0  0  0  0  0
   -6.7250   -0.7520    1.9840 C   0  0  0  0  0
   -6.2540   -0.7060    3.1160 O   0  0  0  0  0
   -7.9470   -1.3820    1.7720 N   0  0  0  0  0
   -8.5270   -1.4600    0.5370 C   0  0  0  0  0
   -9.6950   -2.0900    0.4360 N   0  0  0  0  0
   -7.9750   -0.9360   -0.5600 N   0  0  0  0  0
   -6.7910   -0.2880   -0.4300 C   0  0  0  0  0
   -6.2440    0.2180   -1.5700 N   0  0  0  0  0
   -4.8760    0.7140   -1.6310 C   0  0  0  0  0
   -4.0470   -0.3670   -2.0970 O   0  0  0  0  0
    2.9010   -2.4250    2.7900 P   0  0  0  0  0
    1.3850   -2.5200    2.8990 O   0  5  0  0  0
    3.6000   -2.6340    4.1300 O   0  5  0  0  0
    3.4720   -3.3300    1.7080 O   0  0  0  0  0
    3.1950   -0.9140    2.2720 O   0  0  0  0  0
   -1.5220   -3.7700   -0.8740 P   0  0  0  0  0
   -0.0290   -3.4720   -0.8740 O   0  5  0  0  0
   -2.0170   -4.2690    0.4740 O   0  5  0  0  0
   -1.9390   -4.6920   -2.0130 O   0  0  0  0  0
   -2.2780   -2.3540   -1.1070 O   0  0  0  0  0
    0.6140   -2.9770    1.0310 MG  0  2  0  0  0
    2.3650    0.2730    3.6640 H   0  0  0  0  0
    3.9200    0.0440    3.8800 H   0  0  0  0  0
    3.4810    2.2330    3.1460 H   0  0  0  0  0
    4.7190    2.7280   -0.6290 H   0  0  0  0  0
    3.9340    1.5310   -2.3930 H   0  0  0  0  0
    4.1080   -2.8320   -3.6360 H   0  0  0  0  0
    4.8600   -4.7190   -2.6140 H   0  0  0  0  0
    5.4050   -4.6860   -1.2000 H   0  0  0  0  0
    5.5270   -0.7950    1.1600 H   0  0  0  0  0
    6.1600    1.4780    0.4510 H   0  0  0  0  0
   -1.1130   -1.5740   -2.5470 H   0  0  0  0  0
   -2.5270   -2.0640   -3.0780 H   0  0  0  0  0
   -2.4110    0.2980   -3.0340 H   0  0  0  0  0
   -4.7050    2.1860   -0.1850 H   0  0  0  0  0
   -4.4550    0.4480    1.6090 H   0  0  0  0  0
   -8.3560   -1.7460    2.4610 H   0  0  0  0  0
  -10.0940   -2.1580   -0.3440 H   0  0  0  0  0
  -10.0750   -2.4420    1.1450 H   0  0  0  0  0
   -6.7460    0.2470   -2.2980 H   0  0  0  0  0
   -4.8510    1.4470   -2.2970 H   0  0  0  0  0
    4.4020   -2.5430    4.0270 H   0  0  0  0  0
   -1.6590   -5.0210    0.6850 H   0  0  0  0  0
  1 52  1  0  0  0
  1 51  1  0  0  0
  2  1  1  0  0  0
  2 20  1  0  0  0
  2  3  1  0  0  0
  2 53  1  0  0  0
  3  4  1  0  0  0
  3  5  2  0  0  0
  4  7  1  0  0  0
  5  8  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7 26  1  0  0  0
  7 24  1  0  0  0
  8  9  1  0  0  0
  8 54  1  0  0  0
  9 10  1  0  0  0
  9 55  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 13 11  1  0  0  0
 13 56  1  0  0  0
 14 15  1  0  0  0
 14 13  1  0  0  0
 15 58  1  0  0  0
 15 57  1  0  0  0
 16 14  2  0  0  0
 17 16  1  0  0  0
 17 10  2  0  0  0
 18 17  1  0  0  0
 18 59  1  0  0  0
 19 18  1  0  0  0
 19 20  1  0  0  0
 19  8  1  0  0  0
 19 60  1  0  0  0
 21 22  1  0  0  0
 21 49  1  0  0  0
 21 61  1  0  0  0
 21 62  1  0  0  0
 22 63  1  0  0  0
 23 22  1  0  0  0
 24 23  1  0  0  0
 25 27  1  0  0  0
 25 23  2  0  0  0
 26 25  1  0  0  0
 27 38  1  0  0  0
 27 64  1  0  0  0
 28 29  1  0  0  0
 28 27  1  0  0  0
 28 65  1  0  0  0
 29 36  2  0  0  0
 30 32  1  0  0  0
 30 29  1  0  0  0
 31 30  2  0  0  0
 32 33  1  0  0  0
 32 66  1  0  0  0
 33 34  1  0  0  0
 33 35  2  0  0  0
 34 67  1  0  0  0
 34 68  1  0  0  0
 36 35  1  0  0  0
 36 37  1  0  0  0
 37 69  1  0  0  0
 38 37  1  0  0  0
 38 39  1  0  0  0
 38 70  1  0  0  0
 39 22  1  0  0  0
 40 42  1  0  0  0
 40 41  1  0  0  0
 41 50  1  0  0  0
 42 71  1  0  0  0
 43 40  2  0  0  0
 44 40  1  0  0  0
 44  1  1  0  0  0
 45 49  1  0  0  0
 45 47  1  0  0  0
 46 45  1  0  0  0
 47 72  1  0  0  0
 48 45  2  0  0  0
 50 46  1  0  0  0
M  CHG  1   4  -1
M  CHG  1   6  -1
M  CHG  1  24  -1
M  CHG  1  26  -1
M  CHG  1  41  -1
M  CHG  1  42  -1
M  CHG  1  46  -1
M  CHG  1  47  -1
M  CHG  1  50   2
M  END
$$$$
