KC2
  CCTOOLS-0807261402

 73 81  0  0  1  0  0  0  0  0999 V2000
    2.1660   -1.5260    0.7040 N   0  5  0  0  0
   -0.0050    1.6700   -0.7060 N   0  5  0  0  0
   -2.0840   -0.7290   -0.2240 C   0  0  0  0  0
    1.6900   -2.7470    1.0350 C   0  0  0  0  0
    4.0390    0.8780    0.1260 C   0  0  0  0  0
    0.4020    2.9460   -1.0800 C   0  0  0  0  0
   -2.9320   -1.8190   -0.0410 C   0  0  0  0  0
    2.7480   -3.5580    1.4450 C   0  0  0  0  0
    4.9440    1.9030   -0.1470 C   0  0  0  0  0
   -0.7260    3.7150   -1.4400 C   0  0  0  0  0
   -2.0990   -2.8940    0.3790 C   0  0  0  0  0
    3.9430   -2.8010    1.3570 C   0  0  0  0  0
    4.2230    3.0070   -0.6670 C   0  0  0  0  0
   -1.8240    2.8560   -1.2660 C   0  0  0  0  0
   -0.8090   -2.3880    0.5060 C   0  0  0  0  0
    3.5420   -1.5400    0.9120 C   0  0  0  0  0
    2.8880    2.6000   -0.6590 C   0  0  0  0  0
   -1.3130    1.6340   -0.8250 C   0  0  0  0  0
   -4.3430   -1.8700   -0.3870 C   0  0  0  0  0
    5.2850   -3.3370    1.7390 C   0  0  0  0  0
    4.8630    4.2990   -1.0650 C   0  0  0  0  0
   -3.2800    2.7520   -1.3850 C   0  0  0  0  0
   -5.3400   -2.5640    0.1380 C   0  0  0  0  0
    6.5160   -2.9000    1.5990 C   0  0  0  0  0
    4.4430    5.3810   -1.6830 C   0  0  0  0  0
   -3.6680    1.3740   -0.8440 C   0  0  0  0  0
   -6.6500    1.3120    1.4140 C   0  0  0  0  0
   -6.7300   -2.5780   -0.3580 C   0  0  0  0  0
   -4.4670    1.5650    0.4400 C   0  0  0  0  0
   -2.3600    0.6550   -0.6220 C   0  0  0  0  0
    0.3290   -3.0930    0.9490 C   0  0  0  0  0
    4.3330   -0.3930    0.6580 C   0  0  0  0  0
    1.7400    3.3320   -1.0610 C   0  0  0  0  0
   -2.5280   -4.3100    0.6580 C   0  0  0  0  0
    2.6730   -4.9950    1.8890 C   0  0  0  0  0
    6.4390    1.8640    0.0330 C   0  0  0  0  0
   -0.8120    5.1330   -1.9010 C   0  0  0  0  0
   -0.7940   -1.0800    0.1580 N   0  0  0  0  0
    2.7830    1.2930   -0.1730 N   0  0  0  0  0
   -7.1270   -1.9270   -1.3180 O   0  0  0  0  0
   -3.9980    2.0140    1.4520 O   0  0  0  0  0
   -7.5100   -3.3690    0.3360 O   0  0  0  0  0
   -5.7470    1.1770    0.2850 O   0  0  0  0  0
   -4.1010    3.5600   -1.7960 O   0  0  0  0  0
    1.0370    0.0750    0.0140 MG  0  2  0  0  0
   -4.5760   -1.3770   -1.1460 H   0  0  0  0  0
    5.2740   -4.1600    2.2020 H   0  0  0  0  0
    5.7660    4.3970   -0.8080 H   0  0  0  0  0
   -5.1820   -3.0690    0.9080 H   0  0  0  0  0
    7.2320   -3.3980    1.9580 H   0  0  0  0  0
    6.6910   -2.1090    1.1180 H   0  0  0  0  0
    5.0300    6.1100   -1.7970 H   0  0  0  0  0
    3.5710    5.4230   -2.0350 H   0  0  0  0  0
   -4.2100    0.8760   -1.4990 H   0  0  0  0  0
   -6.3170    0.7840    2.1580 H   0  0  0  0  0
   -7.5320    0.9960    1.1600 H   0  0  0  0  0
   -6.7020    2.2460    1.6750 H   0  0  0  0  0
    0.1350   -3.9510    1.2920 H   0  0  0  0  0
    5.2220   -0.4890    0.9580 H   0  0  0  0  0
    1.8950    4.2190   -1.3460 H   0  0  0  0  0
   -1.7940   -4.9220    0.4900 H   0  0  0  0  0
   -3.2670   -4.5530    0.0790 H   0  0  0  0  0
   -2.8060   -4.3890    1.5850 H   0  0  0  0  0
    3.4300   -5.4900    1.5370 H   0  0  0  0  0
    1.8580   -5.4060    1.5630 H   0  0  0  0  0
    2.6860   -5.0360    2.8600 H   0  0  0  0  0
    6.8730    2.3200   -0.7060 H   0  0  0  0  0
    6.7520    0.9460    0.0540 H   0  0  0  0  0
    6.6780    2.3030    0.8650 H   0  0  0  0  0
   -1.5980    5.2440   -2.4630 H   0  0  0  0  0
   -0.0170    5.3580   -2.4110 H   0  0  0  0  0
   -0.8800    5.7220   -1.1310 H   0  0  0  0  0
   -8.3410   -3.3730    0.0350 H   0  0  0  0  0
  1  4  1  0  0  0
  1 16  1  0  0  0
  1 45  1  0  0  0
  2  6  1  0  0  0
  2 18  1  0  0  0
  2 45  1  0  0  0
  3  7  1  0  0  0
  3 30  2  0  0  0
  3 38  1  0  0  0
  4  8  1  0  0  0
  4 31  2  0  0  0
  5  9  1  0  0  0
  5 32  1  0  0  0
  5 39  2  0  0  0
  6 10  2  0  0  0
  6 33  1  0  0  0
  7 11  2  0  0  0
  7 19  1  0  0  0
  8 12  2  0  0  0
  8 35  1  0  0  0
  9 13  2  0  0  0
  9 36  1  0  0  0
 10 14  1  0  0  0
 10 37  1  0  0  0
 11 15  1  0  0  0
 11 34  1  0  0  0
 12 16  1  0  0  0
 12 20  1  0  0  0
 13 17  1  0  0  0
 13 21  1  0  0  0
 14 18  2  0  0  0
 14 22  1  0  0  0
 15 31  1  0  0  0
 15 38  2  0  0  0
 16 32  2  0  0  0
 17 33  2  0  0  0
 17 39  1  0  0  0
 18 30  1  0  0  0
 19 23  2  0  0  0
 19 46  1  0  0  0
 20 24  2  0  0  0
 20 47  1  0  0  0
 21 25  2  0  0  0
 21 48  1  0  0  0
 22 26  1  0  0  0
 22 44  2  0  0  0
 23 28  1  0  0  0
 23 49  1  0  0  0
 24 50  1  0  0  0
 24 51  1  0  0  0
 25 52  1  0  0  0
 25 53  1  0  0  0
 26 29  1  0  0  0
 26 30  1  0  0  0
 26 54  1  0  0  0
 27 43  1  0  0  0
 27 55  1  0  0  0
 27 56  1  0  0  0
 27 57  1  0  0  0
 28 40  2  0  0  0
 28 42  1  0  0  0
 29 41  2  0  0  0
 29 43  1  0  0  0
 31 58  1  0  0  0
 32 59  1  0  0  0
 33 60  1  0  0  0
 34 61  1  0  0  0
 34 62  1  0  0  0
 34 63  1  0  0  0
 35 64  1  0  0  0
 35 65  1  0  0  0
 35 66  1  0  0  0
 36 67  1  0  0  0
 36 68  1  0  0  0
 36 69  1  0  0  0
 37 70  1  0  0  0
 37 71  1  0  0  0
 37 72  1  0  0  0
 38 45  1  0  0  0
 39 45  1  0  0  0
 42 73  1  0  0  0
M  CHG  1   1  -1
M  CHG  1   2  -1
M  CHG  1  45   2
M  END
$$$$
