V70
  CCTOOLS-1205251005

 71 82  0  0  0  0  0  0  0  0999 V2000
   -2.3140    2.0550    0.5350 C   0  0  0  0  0
    3.4700    0.9600    1.0840 C   0  0  0  0  0
    2.1890    0.4820    0.5070 C   0  0  0  0  0
   -1.4180   -2.5040    0.7000 C   0  0  0  0  0
   -0.0620   -3.1000    2.9800 C   0  0  0  0  0
   -3.7380   -2.8080   -2.2080 C   0  0  0  0  0
    2.2020   -0.3360   -0.5560 C   0  0  0  0  0
   -1.6610    2.4360   -0.6890 C   0  0  0  0  0
    4.7230   -0.3450   -0.5960 C   0  0  0  0  0
   -2.1370   -2.1870   -0.5040 C   0  0  0  0  0
   -3.2960    2.9110    1.0890 C   0  0  0  0  0
   -2.5600    0.5560    2.2520 C   0  0  0  0  0
   -3.0400   -3.1370   -1.0360 C   0  0  0  0  0
    3.4980   -0.7730   -1.1330 C   0  0  0  0  0
   -3.5070   -1.5840   -2.7720 C   0  0  0  0  0
    4.7080    0.5600    0.5540 C   0  0  0  0  0
   -2.0240    3.6550   -1.3100 C   0  0  0  0  0
    3.4410    1.8340    2.1810 C   0  0  0  0  0
   -2.6000   -0.7050   -2.1900 C   0  0  0  0  0
    0.0920   -1.8900    2.3120 C   0  0  0  0  0
   -3.5290    1.3460    2.8610 C   0  0  0  0  0
   -0.1150    1.9880   -2.3200 C   0  0  0  0  0
   -1.6300   -3.7580    1.3190 C   0  0  0  0  0
   -0.9200   -4.0480    2.4940 C   0  0  0  0  0
   -3.9090    2.5290    2.2900 C   0  0  0  0  0
    3.4950   -1.6420   -2.2340 C   0  0  0  0  0
   -3.2170   -4.3780   -0.3840 C   0  0  0  0  0
   -2.5380   -4.6770    0.7480 C   0  0  0  0  0
   -3.0190    4.4710   -0.7260 C   0  0  0  0  0
    5.8940    1.0270    1.1290 C   0  0  0  0  0
   -3.6290    4.1140    0.4280 C   0  0  0  0  0
    4.6800   -2.0610   -2.7660 C   0  0  0  0  0
   -1.3720    4.0150   -2.4980 C   0  0  0  0  0
   -0.4150    3.1700   -2.9890 C   0  0  0  0  0
    4.6120    2.2770    2.7220 C   0  0  0  0  0
    5.9220   -0.7870   -1.1610 C   0  0  0  0  0
    5.8370    1.8730    2.2000 C   0  0  0  0  0
    5.8910   -1.6350   -2.2310 C   0  0  0  0  0
   -1.9430   -1.0240   -1.0870 N   0  3  0  0  0
    0.9750   -0.7660   -1.0840 N   0  0  0  0  0
   -1.9850    0.9250    1.1190 N   0  3  0  0  0
    0.9490    0.8520    1.0520 N   0  0  0  0  0
   -0.7390    1.6500   -1.2040 N   0  3  0  0  0
   -0.5760   -1.6280    1.2010 N   0  3  0  0  0
   -0.5570    0.0110   -0.0100 RU  0  0  0  0  0
    0.4990   -3.2900    3.8830 H   0  0  0  0  0
   -4.4340   -3.5000   -2.6500 H   0  0  0  0  0
   -2.2710   -0.3790    2.7130 H   0  0  0  0  0
   -4.0290   -1.2970   -3.6740 H   0  0  0  0  0
    2.4970    2.1550    2.5940 H   0  0  0  0  0
   -2.4290    0.2610   -2.6490 H   0  0  0  0  0
    0.7740   -1.1480    2.7080 H   0  0  0  0  0
   -3.9800    1.0220    3.7880 H   0  0  0  0  0
    0.6460    1.3320   -2.7220 H   0  0  0  0  0
   -1.0460   -4.9900    2.9980 H   0  0  0  0  0
   -4.6570    3.1510    2.7510 H   0  0  0  0  0
    2.5610   -1.9800   -2.6570 H   0  0  0  0  0
   -3.9060   -5.1030   -0.7970 H   0  0  0  0  0
   -2.6950   -5.6370    1.2230 H   0  0  0  0  0
   -3.2980    5.3980   -1.2090 H   0  0  0  0  0
    6.8480    0.7200    0.7300 H   0  0  0  0  0
   -4.3850    4.7630    0.8510 H   0  0  0  0  0
    4.6780   -2.7340   -3.6130 H   0  0  0  0  0
   -1.6180    4.9300   -3.0080 H   0  0  0  0  0
    0.1100    3.4190   -3.9000 H   0  0  0  0  0
    4.5890    2.9500    3.5690 H   0  0  0  0  0
    6.8670   -0.4620   -0.7530 H   0  0  0  0  0
    6.7530    2.2350    2.6460 H   0  0  0  0  0
    6.8190   -1.9800   -2.6680 H   0  0  0  0  0
    0.8790   -1.3540   -1.8560 H   0  0  0  0  0
    0.8340    1.4310    1.8280 H   0  0  0  0  0
  1  8  2  0  0  0
  1 11  1  0  0  0
  1 41  1  0  0  0
  2  3  2  0  0  0
  2 16  1  0  0  0
  2 18  1  0  0  0
  3  7  1  0  0  0
  3 42  1  0  0  0
  4 10  2  0  0  0
  4 23  1  0  0  0
  4 44  1  0  0  0
  5 20  1  0  0  0
  5 24  2  0  0  0
  5 46  1  0  0  0
  6 13  1  0  0  0
  6 15  2  0  0  0
  6 47  1  0  0  0
  7 14  2  0  0  0
  7 40  1  0  0  0
  8 17  1  0  0  0
  8 43  1  0  0  0
  9 14  1  0  0  0
  9 16  2  0  0  0
  9 36  1  0  0  0
 10 13  1  0  0  0
 10 39  1  0  0  0
 11 25  1  0  0  0
 11 31  2  0  0  0
 12 21  1  0  0  0
 12 41  2  0  0  0
 12 48  1  0  0  0
 13 27  2  0  0  0
 14 26  1  0  0  0
 15 19  1  0  0  0
 15 49  1  0  0  0
 16 30  1  0  0  0
 17 29  2  0  0  0
 17 33  1  0  0  0
 18 35  2  0  0  0
 18 50  1  0  0  0
 19 39  2  0  0  0
 19 51  1  0  0  0
 20 44  2  0  0  0
 20 52  1  0  0  0
 21 25  2  0  0  0
 21 53  1  0  0  0
 22 34  1  0  0  0
 22 43  2  0  0  0
 22 54  1  0  0  0
 23 24  1  0  0  0
 23 28  2  0  0  0
 24 55  1  0  0  0
 25 56  1  0  0  0
 26 32  2  0  0  0
 26 57  1  0  0  0
 27 28  1  0  0  0
 27 58  1  0  0  0
 28 59  1  0  0  0
 29 31  1  0  0  0
 29 60  1  0  0  0
 30 37  2  0  0  0
 30 61  1  0  0  0
 31 62  1  0  0  0
 32 38  1  0  0  0
 32 63  1  0  0  0
 33 34  2  0  0  0
 33 64  1  0  0  0
 34 65  1  0  0  0
 35 37  1  0  0  0
 35 66  1  0  0  0
 36 38  2  0  0  0
 36 67  1  0  0  0
 37 68  1  0  0  0
 38 69  1  0  0  0
 39 45  1  0  0  0
 40 45  1  0  0  0
 40 70  1  0  0  0
 41 45  1  0  0  0
 42 45  1  0  0  0
 42 71  1  0  0  0
 43 45  1  0  0  0
 44 45  1  0  0  0
M  CHG  1  39   1
M  CHG  1  41   1
M  CHG  1  43   1
M  CHG  1  44   1
M  END
$$$$
