A1L0F
  CCTOOLS-0807261403

 75 83  0  0  1  0  0  0  0  0999 V2000
   -3.0110    3.9210   -0.5420 C   0  0  0  0  0
   -1.6670    4.3620   -0.5900 C   0  0  0  0  0
    3.4290    1.0380   -0.0590 C   0  0  0  0  0
    1.1510    0.8860   -0.0740 N   0  0  0  0  0
    2.8760    2.3090   -0.2900 C   0  0  0  0  0
   -2.9340    2.5320   -0.4230 C   0  0  0  0  0
    0.5660    3.2230   -0.4610 C   0  0  0  0  0
   -4.7050   -1.9520    0.1260 C   0  0  0  0  0
   -5.1350   -0.6180   -0.0620 C   0  0  0  0  0
   -4.0060    0.1940   -0.1710 C   0  0  0  0  0
   -3.3110   -1.8920    0.0880 C   0  0  0  0  0
   -3.9860    1.5870   -0.3690 C   0  0  0  0  0
    1.1790   -3.3850    0.4980 C   0  0  0  0  0
   -0.0920   -3.9810    0.4630 C   0  0  0  0  0
   -0.9950   -2.9110    0.2880 C   0  0  0  0  0
    0.9860   -2.0140    0.3180 C   0  0  0  0  0
    2.2420   -1.2920    0.3210 C   0  0  0  0  0
   -2.3840   -2.9600    0.1920 C   0  0  0  0  0
   -6.5740   -0.1750   -0.0780 C   0  0  0  0  0
   -5.6350   -3.1100    0.2760 C   0  0  0  0  0
   -5.4780   -4.3510    0.6770 C   0  0  0  0  0
   -4.1830    4.8380   -0.6560 C   0  0  0  0  0
    2.3240    0.1510    0.0720 C   0  0  0  0  0
   -5.4660    4.6970   -0.4150 C   0  0  0  0  0
   -1.2390    5.8020   -0.7010 C   0  0  0  0  0
    3.6840    3.5670   -0.4900 C   0  0  0  0  0
    4.9020    0.7230    0.0030 C   0  0  0  0  0
    2.6130   -3.6550    0.6170 C   0  0  0  0  0
    3.3130   -2.2960    0.6660 C   0  0  0  0  0
   -0.3550   -5.4430    0.6210 C   0  0  0  0  0
    3.8770   -2.1180    2.0710 C   0  0  0  0  0
    5.9170   -2.1010    3.3430 C   0  0  0  0  0
    5.4850    0.1490   -1.2870 C   0  0  0  0  0
    5.7360    1.1670   -2.3950 C   0  0  0  0  0
    1.5040    2.1840   -0.2790 C   0  0  0  0  0
   -0.8400    3.2460   -0.4660 C   0  0  0  0  0
   -2.8880   -0.5730   -0.1030 N   0  0  0  0  0
   -0.2880   -1.7150    0.1910 N   0  5  0  0  0
   -1.6020    2.1330   -0.3840 N   0  5  0  0  0
    3.2170   -4.7160    0.6950 O   0  0  0  0  0
    3.1970   -1.8970    3.0380 O   0  0  0  0  0
    5.2170   -2.2460    2.0790 O   0  0  0  0  0
    4.7760    1.4830   -3.1290 O   0  0  0  0  0
    6.8890    1.6330   -2.5130 O   0  5  0  0  0
   -0.8860    0.1700   -0.3860 MG  0  2  0  0  0
    0.9550    4.0680   -0.6240 H   0  0  0  0  0
   -4.8290    1.9650   -0.5600 H   0  0  0  0  0
   -2.7500   -3.8300    0.1500 H   0  0  0  0  0
   -6.6410    0.7570    0.1800 H   0  0  0  0  0
   -7.0910   -0.7050    0.5500 H   0  0  0  0  0
   -6.9400   -0.2890   -0.9700 H   0  0  0  0  0
   -6.5250   -2.9500    0.0050 H   0  0  0  0  0
   -6.2090   -4.9470    0.6490 H   0  0  0  0  0
   -4.6520   -4.6390    1.0260 H   0  0  0  0  0
   -3.9930    5.6970   -0.9980 H   0  0  0  0  0
   -6.0580    5.4070   -0.6030 H   0  0  0  0  0
   -5.7940    3.9060   -0.0220 H   0  0  0  0  0
   -0.3480    5.9170   -0.3370 H   0  0  0  0  0
   -1.8500    6.3680   -0.2030 H   0  0  0  0  0
   -1.2410    6.0710   -1.6340 H   0  0  0  0  0
    3.1750    4.2160   -1.0000 H   0  0  0  0  0
    4.4990    3.3690   -0.9770 H   0  0  0  0  0
    3.9120    3.9470    0.3740 H   0  0  0  0  0
    5.0660    0.0880    0.7290 H   0  0  0  0  0
    5.4060    1.5300    0.2400 H   0  0  0  0  0
    4.0430   -2.2350    0.0070 H   0  0  0  0  0
   -1.2050   -5.5740    1.0750 H   0  0  0  0  0
    0.3570   -5.8470    1.1450 H   0  0  0  0  0
   -0.3890   -5.8630   -0.2560 H   0  0  0  0  0
    5.7460   -1.2160    3.7060 H   0  0  0  0  0
    6.8710   -2.2130    3.1980 H   0  0  0  0  0
    5.6020   -2.7750    3.9660 H   0  0  0  0  0
    4.8710   -0.5400   -1.6300 H   0  0  0  0  0
    6.3370   -0.2960   -1.0750 H   0  0  0  0  0
   -7.4700   -2.8780   -1.2210 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  2  0  0  0
  1 22  1  0  0  0
  2 25  1  0  0  0
  2 36  2  0  0  0
  3  5  2  0  0  0
  3 23  1  0  0  0
  3 27  1  0  0  0
  4 23  2  0  0  0
  4 35  1  0  0  0
  4 45  1  0  0  0
  5 26  1  0  0  0
  5 35  1  0  0  0
  6 12  1  0  0  0
  6 39  1  0  0  0
  7 35  2  0  0  0
  7 36  1  0  0  0
  7 46  1  0  0  0
  8  9  2  0  0  0
  8 11  1  0  0  0
  8 20  1  0  0  0
  9 10  1  0  0  0
  9 19  1  0  0  0
 10 12  2  0  0  0
 10 37  1  0  0  0
 11 18  1  0  0  0
 11 37  2  0  0  0
 12 47  1  0  0  0
 13 14  2  0  0  0
 13 16  1  0  0  0
 13 28  1  0  0  0
 14 15  1  0  0  0
 14 30  1  0  0  0
 15 18  2  0  0  0
 15 38  1  0  0  0
 16 17  2  0  0  0
 16 38  1  0  0  0
 17 23  1  0  0  0
 17 29  1  0  0  0
 18 48  1  0  0  0
 19 49  1  0  0  0
 19 50  1  0  0  0
 19 51  1  0  0  0
 20 21  2  0  0  0
 20 52  1  0  0  0
 21 53  1  0  0  0
 21 54  1  0  0  0
 22 24  2  0  0  0
 22 55  1  0  0  0
 24 56  1  0  0  0
 24 57  1  0  0  0
 25 58  1  0  0  0
 25 59  1  0  0  0
 25 60  1  0  0  0
 26 61  1  0  0  0
 26 62  1  0  0  0
 26 63  1  0  0  0
 27 33  1  0  0  0
 27 64  1  0  0  0
 27 65  1  0  0  0
 28 29  1  0  0  0
 28 40  2  0  0  0
 29 31  1  0  0  0
 29 66  1  0  0  0
 30 67  1  0  0  0
 30 68  1  0  0  0
 30 69  1  0  0  0
 31 41  2  0  0  0
 31 42  1  0  0  0
 32 42  1  0  0  0
 32 70  1  0  0  0
 32 71  1  0  0  0
 32 72  1  0  0  0
 33 34  1  0  0  0
 33 73  1  0  0  0
 33 74  1  0  0  0
 34 43  2  0  0  0
 34 44  1  0  0  0
 36 39  1  0  0  0
 37 45  1  0  0  0
 38 45  1  0  0  0
 39 45  1  0  0  0
 44 75  1  0  0  0
M  CHG  1  38  -1
M  CHG  1  39  -1
M  CHG  1  44  -1
M  CHG  1  45   2
M  END
$$$$
