A1E1S
  CCTOOLS-0731261037

 88 90  0  0  1  0  0  0  0  0999 V2000
    8.3030    3.6650    0.8210 C   0  0  0  0  0
   -8.6250   -2.1870   -0.0870 C   0  0  0  0  0
   -7.3200   -2.8030    0.4210 C   0  0  0  0  0
   -6.1330   -2.1170   -0.2590 C   0  0  0  0  0
   -4.8280   -2.7330    0.2480 C   0  0  0  0  0
   -3.6420   -2.0460   -0.4320 C   0  0  0  0  0
   -2.3360   -2.6630    0.0760 C   0  0  0  0  0
   -1.1500   -1.9760   -0.6040 C   0  0  0  0  0
    0.1350   -2.5830   -0.1040 C   0  0  0  0  0
    7.7150   -1.8990   -0.5360 C   0  0  0  0  0
    5.2720   -2.3950   -0.1400 C   0  0  0  0  0
    6.2640   -1.4900   -0.8730 C   0  0  0  0  0
    7.3940    0.5050   -0.7580 C   0  0  0  0  0
  -16.0770    5.8940   -1.2780 C   0  0  0  0  0
  -14.7140    5.4040   -0.7850 C   0  0  0  0  0
  -14.7350    3.8790   -0.6620 C   0  0  0  0  0
  -13.3720    3.3880   -0.1690 C   0  0  0  0  0
  -13.3930    1.8630   -0.0460 C   0  0  0  0  0
  -12.0310    1.3720    0.4470 C   0  0  0  0  0
  -12.0510   -0.1520    0.5700 C   0  0  0  0  0
  -10.6890   -0.6430    1.0630 C   0  0  0  0  0
  -10.7090   -2.1450    1.1840 C   0  0  0  0  0
   -9.7930   -2.8630    0.5830 C   0  0  0  0  0
    7.0630    1.9480    1.2860 C   0  0  0  0  0
    9.0250    4.8690    0.7570 C   0  0  0  0  0
    9.8270    4.2360   -1.3130 C   0  0  0  0  0
    8.4010    2.7730   -0.2600 C   0  0  0  0  0
    8.4760   -0.5560   -0.4580 C   0  0  0  0  0
    7.6090    1.7010    0.0620 N   0  0  0  0  0
    7.4670    3.1040    1.7270 N   0  0  0  0  0
    8.9680    5.7860    1.7910 N   0  0  0  0  0
    9.7660    5.1060   -0.3220 N   0  0  0  0  0
    9.1670    3.0970   -1.2960 N   0  0  0  0  0
    0.1060   -3.4740    0.7120 O   0  0  0  0  0
    1.3130   -2.1350   -0.5660 O   0  0  0  0  0
    2.6770   -4.3790   -0.4380 O   0  0  0  0  0
    2.6320   -2.7560    1.4950 O   0  0  0  0  0
    3.9420   -2.0770   -0.5540 O   0  0  0  0  0
    6.1460   -0.1300   -0.4030 O   0  0  0  0  0
    9.0190   -0.3630    0.8490 O   0  0  0  0  0
    8.2570   -2.7220   -1.5710 O   0  0  0  0  0
    2.6410   -2.8350    0.0170 P   0  0  0  0  0
   -8.6390   -1.1220    0.1470 H   0  0  0  0  0
   -8.6960   -2.3230   -1.1660 H   0  0  0  0  0
   -7.2490   -2.6670    1.5000 H   0  0  0  0  0
   -7.3060   -3.8680    0.1870 H   0  0  0  0  0
   -6.2040   -2.2530   -1.3380 H   0  0  0  0  0
   -6.1470   -1.0520   -0.0260 H   0  0  0  0  0
   -4.7570   -2.5970    1.3270 H   0  0  0  0  0
   -4.8140   -3.7980    0.0150 H   0  0  0  0  0
   -3.7130   -2.1830   -1.5110 H   0  0  0  0  0
   -3.6550   -0.9820   -0.1980 H   0  0  0  0  0
   -2.2660   -2.5270    1.1550 H   0  0  0  0  0
   -2.3230   -3.7270   -0.1580 H   0  0  0  0  0
   -1.2210   -2.1120   -1.6830 H   0  0  0  0  0
   -1.1640   -0.9120   -0.3700 H   0  0  0  0  0
    7.7560   -2.4170    0.4220 H   0  0  0  0  0
    5.4870   -3.4370   -0.3770 H   0  0  0  0  0
    5.3650   -2.2400    0.9350 H   0  0  0  0  0
    6.0970   -1.5380   -1.9490 H   0  0  0  0  0
    7.4000    0.7650   -1.8160 H   0  0  0  0  0
  -16.8490    5.5970   -0.5680 H   0  0  0  0  0
  -16.0620    6.9810   -1.3660 H   0  0  0  0  0
  -16.2910    5.4540   -2.2520 H   0  0  0  0  0
  -13.9420    5.7000   -1.4950 H   0  0  0  0  0
  -14.5000    5.8440    0.1890 H   0  0  0  0  0
  -15.5070    3.5820    0.0480 H   0  0  0  0  0
  -14.9490    3.4380   -1.6360 H   0  0  0  0  0
  -12.6010    3.6850   -0.8790 H   0  0  0  0  0
  -13.1580    3.8280    0.8050 H   0  0  0  0  0
  -14.1650    1.5660    0.6640 H   0  0  0  0  0
  -13.6070    1.4230   -1.0200 H   0  0  0  0  0
  -11.2590    1.6690   -0.2630 H   0  0  0  0  0
  -11.8170    1.8130    1.4210 H   0  0  0  0  0
  -12.8230   -0.4490    1.2800 H   0  0  0  0  0
  -12.2650   -0.5920   -0.4040 H   0  0  0  0  0
   -9.9170   -0.3460    0.3530 H   0  0  0  0  0
  -10.4750   -0.2030    2.0370 H   0  0  0  0  0
  -11.4790   -2.6290    1.7670 H   0  0  0  0  0
   -9.8760   -3.9400    0.5670 H   0  0  0  0  0
    6.3900    1.2850    1.8100 H   0  0  0  0  0
   10.4410    4.4690   -2.1710 H   0  0  0  0  0
    9.2640   -0.5200   -1.2100 H   0  0  0  0  0
    8.4240    5.6020    2.5730 H   0  0  0  0  0
    9.4710    6.6130    1.7350 H   0  0  0  0  0
    2.6840   -4.5070   -1.3960 H   0  0  0  0  0
    9.6600   -1.0380    1.1130 H   0  0  0  0  0
    9.1850   -2.9590   -1.4400 H   0  0  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 43  1  0  0  0
  2 44  1  0  0  0
  3  4  1  0  0  0
  3 45  1  0  0  0
  3 46  1  0  0  0
  4  5  1  0  0  0
  4 47  1  0  0  0
  4 48  1  0  0  0
  5  6  1  0  0  0
  5 49  1  0  0  0
  5 50  1  0  0  0
  6  7  1  0  0  0
  6 51  1  0  0  0
  6 52  1  0  0  0
  7  8  1  0  0  0
  7 53  1  0  0  0
  7 54  1  0  0  0
  8  9  1  0  0  0
  8 55  1  0  0  0
  8 56  1  0  0  0
  9 34  2  0  0  0
  9 35  1  0  0  0
 10 28  1  0  0  0
 10 41  1  0  0  0
 10 12  1  0  0  0
 10 57  1  0  0  0
 11 12  1  0  0  0
 11 58  1  0  0  0
 11 59  1  0  0  0
 12 60  1  0  0  0
 13 39  1  0  0  0
 13 61  1  0  0  0
 14 15  1  0  0  0
 14 62  1  0  0  0
 14 63  1  0  0  0
 14 64  1  0  0  0
 15 16  1  0  0  0
 15 65  1  0  0  0
 15 66  1  0  0  0
 16 17  1  0  0  0
 16 67  1  0  0  0
 16 68  1  0  0  0
 17 18  1  0  0  0
 17 69  1  0  0  0
 17 70  1  0  0  0
 18 19  1  0  0  0
 18 71  1  0  0  0
 18 72  1  0  0  0
 19 20  1  0  0  0
 19 73  1  0  0  0
 19 74  1  0  0  0
 20 21  1  0  0  0
 20 75  1  0  0  0
 20 76  1  0  0  0
 21 22  1  0  0  0
 21 77  1  0  0  0
 21 78  1  0  0  0
 22 23  2  0  0  0
 22 79  1  0  0  0
 23  2  1  0  0  0
 23 80  1  0  0  0
 24 29  1  0  0  0
 24 81  1  0  0  0
 25  1  2  0  0  0
 25 32  1  0  0  0
 26 33  1  0  0  0
 26 82  1  0  0  0
 27 29  1  0  0  0
 27 33  2  0  0  0
 28 13  1  0  0  0
 28 83  1  0  0  0
 29 13  1  0  0  0
 30  1  1  0  0  0
 30 24  2  0  0  0
 31 25  1  0  0  0
 31 84  1  0  0  0
 31 85  1  0  0  0
 32 26  2  0  0  0
 35 42  1  0  0  0
 36 86  1  0  0  0
 38 11  1  0  0  0
 38 42  1  0  0  0
 39 12  1  0  0  0
 40 28  1  0  0  0
 40 87  1  0  0  0
 41 88  1  0  0  0
 42 37  2  0  0  0
 42 36  1  0  0  0
M  END
$$$$
