A1JR2
  CCTOOLS-0814260951

121122  0  0  1  0  0  0  0  0999 V2000
   18.2120    1.2910   -1.4920 C   0  0  0  0  0
   17.2850   -0.7410    1.2460 C   0  0  0  0  0
   17.0010   -1.0570   -0.2240 C   0  0  0  0  0
   16.0320    2.5010   -1.3310 C   0  0  0  0  0
   18.2970    0.8850    2.7200 O   0  0  0  0  0
  -13.9610    0.7630    1.5520 O   0  0  0  0  0
  -12.4030    0.1090   -0.0590 O   0  0  0  0  0
  -14.4320    3.5120   -1.5120 O   0  0  0  0  0
  -16.4800    1.5880   -0.9780 O   0  0  0  0  0
  -13.2980    3.4860    1.0480 O   0  0  0  0  0
  -11.4920   -3.3230    0.8320 O   0  0  0  0  0
   16.8900    1.3880   -0.7270 C   0  0  0  0  0
   17.1740    1.7030    0.7430 C   0  0  0  0  0
   18.0320    0.5900    1.3470 C   0  0  0  0  0
   16.1430    0.0570   -0.8280 C   0  0  0  0  0
  -14.1620    2.2710   -0.8570 C   0  0  0  0  0
  -15.4010    1.8260   -0.0720 C   0  0  0  0  0
  -12.9920    2.4480    0.1150 C   0  0  0  0  0
  -15.0770    0.5380    0.6890 C   0  0  0  0  0
   14.8420    0.1530   -0.0740 C   0  0  0  0  0
  -12.7620    1.1350    0.8690 C   0  0  0  0  0
   16.2540   -2.3880   -0.3240 C   0  0  0  0  0
  -16.2900    0.1200    1.5230 C   0  0  0  0  0
  -11.6020   -0.9310    0.5050 C   0  0  0  0  0
  -12.3490   -2.2620    0.4040 C   0  0  0  0  0
   13.6830   -0.0320   -0.7150 C   0  0  0  0  0
  -10.3000   -1.0270   -0.2480 C   0  0  0  0  0
  -12.7710   -2.5010   -1.0470 C   0  0  0  0  0
  -13.5910   -2.2190    1.2960 C   0  0  0  0  0
   12.4590    0.0580   -0.0060 C   0  0  0  0  0
   -9.1420   -0.8420    0.3930 C   0  0  0  0  0
   12.4640    0.3620    1.4700 C   0  0  0  0  0
   11.2810   -0.1300   -0.6580 C   0  0  0  0  0
   -7.9180   -0.9320   -0.3160 C   0  0  0  0  0
   10.0670   -0.0400    0.0450 C   0  0  0  0  0
   -7.9220   -1.2360   -1.7920 C   0  0  0  0  0
   -6.7400   -0.7450    0.3350 C   0  0  0  0  0
    8.8840   -0.2280   -0.6090 C   0  0  0  0  0
   -5.5260   -0.8340   -0.3680 C   0  0  0  0  0
    7.6740   -0.1390    0.0910 C   0  0  0  0  0
   -4.3430   -0.6460    0.2870 C   0  0  0  0  0
    7.6780    0.1640    1.5670 C   0  0  0  0  0
    6.4800   -0.3290   -0.5690 C   0  0  0  0  0
   -3.1320   -0.7350   -0.4140 C   0  0  0  0  0
    5.2710   -0.2410    0.1310 C   0  0  0  0  0
   -3.1370   -1.0390   -1.8900 C   0  0  0  0  0
   -1.9390   -0.5440    0.2470 C   0  0  0  0  0
    4.0760   -0.4310   -0.5300 C   0  0  0  0  0
   -0.7300   -0.6340   -0.4530 C   0  0  0  0  0
    2.8680   -0.3420    0.1690 C   0  0  0  0  0
    0.4650   -0.4430    0.2080 C   0  0  0  0  0
    1.6730   -0.5320   -0.4920 C   0  0  0  0  0
    1.6690   -0.8360   -1.9680 C   0  0  0  0  0
   18.7440    2.2390   -1.4200 H   0  0  0  0  0
   18.8230    0.4980   -1.0610 H   0  0  0  0  0
   18.0090    1.0660   -2.5390 H   0  0  0  0  0
   16.3440   -0.6720    1.7910 H   0  0  0  0  0
   17.8970   -1.5350    1.6770 H   0  0  0  0  0
   17.9430   -1.1260   -0.7690 H   0  0  0  0  0
   15.8300    2.2770   -2.3780 H   0  0  0  0  0
   15.0910    2.5710   -0.7850 H   0  0  0  0  0
   16.5640    3.4500   -1.2590 H   0  0  0  0  0
   18.8380    0.2190    3.1680 H   0  0  0  0  0
  -13.6890    3.8530   -2.0290 H   0  0  0  0  0
  -17.2980    1.3020   -0.5480 H   0  0  0  0  0
  -12.5990    3.6530    1.6950 H   0  0  0  0  0
  -11.1850   -3.2370    1.7450 H   0  0  0  0  0
   17.7060    2.6520    0.8150 H   0  0  0  0  0
   16.2330    1.7730    1.2880 H   0  0  0  0  0
   18.9740    0.5210    0.8020 H   0  0  0  0  0
   15.9410   -0.1680   -1.8750 H   0  0  0  0  0
  -13.9100    1.5140   -1.5990 H   0  0  0  0  0
  -15.6840    2.6060    0.6350 H   0  0  0  0  0
  -12.0930    2.7110   -0.4420 H   0  0  0  0  0
  -14.8340   -0.2530   -0.0210 H   0  0  0  0  0
   14.8450    0.3700    0.9840 H   0  0  0  0  0
  -11.9580    1.2680    1.5930 H   0  0  0  0  0
   15.3130   -2.3190    0.2210 H   0  0  0  0  0
   16.0520   -2.6130   -1.3720 H   0  0  0  0  0
   16.8660   -3.1810    0.1060 H   0  0  0  0  0
  -17.1130   -0.1480    0.8590 H   0  0  0  0  0
  -16.0280   -0.7390    2.1410 H   0  0  0  0  0
  -16.5940    0.9480    2.1630 H   0  0  0  0  0
  -11.4000   -0.7060    1.5530 H   0  0  0  0  0
   13.6800   -0.2500   -1.7730 H   0  0  0  0  0
  -10.3040   -1.2440   -1.3060 H   0  0  0  0  0
  -11.8860   -2.5320   -1.6820 H   0  0  0  0  0
  -13.3040   -3.4500   -1.1190 H   0  0  0  0  0
  -13.4250   -1.6920   -1.3730 H   0  0  0  0  0
  -14.1770   -1.3300    1.0610 H   0  0  0  0  0
  -14.1950   -3.1090    1.1220 H   0  0  0  0  0
  -13.2860   -2.1860    2.3420 H   0  0  0  0  0
   -9.1390   -0.6240    1.4500 H   0  0  0  0  0
   12.4190    1.4410    1.6190 H   0  0  0  0  0
   11.5980   -0.1060    1.9400 H   0  0  0  0  0
   13.3770   -0.0290    1.9190 H   0  0  0  0  0
   11.2780   -0.3470   -1.7150 H   0  0  0  0  0
   10.0700    0.1780    1.1030 H   0  0  0  0  0
   -7.9690   -0.3040   -2.3550 H   0  0  0  0  0
   -7.0110   -1.7740   -2.0550 H   0  0  0  0  0
   -8.7900   -1.8500   -2.0340 H   0  0  0  0  0
   -6.7360   -0.5270    1.3930 H   0  0  0  0  0
    8.8810   -0.4460   -1.6670 H   0  0  0  0  0
   -5.5290   -1.0520   -1.4250 H   0  0  0  0  0
   -4.3390   -0.4280    1.3450 H   0  0  0  0  0
    7.6330    1.2430    1.7160 H   0  0  0  0  0
    6.8130   -0.3030    2.0370 H   0  0  0  0  0
    8.5910   -0.2270    2.0160 H   0  0  0  0  0
    6.4770   -0.5470   -1.6270 H   0  0  0  0  0
    5.2740   -0.0230    1.1890 H   0  0  0  0  0
   -3.1840   -0.1060   -2.4530 H   0  0  0  0  0
   -2.2260   -1.5760   -2.1530 H   0  0  0  0  0
   -4.0040   -1.6530   -2.1320 H   0  0  0  0  0
   -1.9350   -0.3270    1.3040 H   0  0  0  0  0
    4.0730   -0.6490   -1.5880 H   0  0  0  0  0
   -0.7330   -0.8510   -1.5110 H   0  0  0  0  0
    2.8710   -0.1240    1.2270 H   0  0  0  0  0
    0.4680   -0.2260    1.2650 H   0  0  0  0  0
    1.7130   -1.9150   -2.1170 H   0  0  0  0  0
    0.7560   -0.4450   -2.4170 H   0  0  0  0  0
    2.5340   -0.3680   -2.4380 H   0  0  0  0  0
  1 12  1  0  0  0
  1 54  1  0  0  0
  1 55  1  0  0  0
  1 56  1  0  0  0
  2 57  1  0  0  0
  2 58  1  0  0  0
  3 22  1  0  0  0
  3  2  1  0  0  0
  3 59  1  0  0  0
  4 12  1  0  0  0
  4 60  1  0  0  0
  4 61  1  0  0  0
  4 62  1  0  0  0
  5 63  1  0  0  0
  6 21  1  0  0  0
  7 24  1  0  0  0
  8 16  1  0  0  0
  8 64  1  0  0  0
  9 17  1  0  0  0
  9 65  1  0  0  0
 10 66  1  0  0  0
 11 67  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  1  0  0  0
 13 68  1  0  0  0
 13 69  1  0  0  0
 14  5  1  0  0  0
 14  2  1  0  0  0
 14 70  1  0  0  0
 15  3  1  0  0  0
 15 71  1  0  0  0
 16 17  1  0  0  0
 16 18  1  0  0  0
 16 72  1  0  0  0
 17 19  1  0  0  0
 17 73  1  0  0  0
 18 10  1  0  0  0
 18 21  1  0  0  0
 18 74  1  0  0  0
 19  6  1  0  0  0
 19 23  1  0  0  0
 19 75  1  0  0  0
 20 15  1  0  0  0
 20 26  2  0  0  0
 20 76  1  0  0  0
 21  7  1  0  0  0
 21 77  1  0  0  0
 22 78  1  0  0  0
 22 79  1  0  0  0
 22 80  1  0  0  0
 23 81  1  0  0  0
 23 82  1  0  0  0
 23 83  1  0  0  0
 24 27  1  0  0  0
 24 25  1  0  0  0
 24 84  1  0  0  0
 25 28  1  0  0  0
 25 11  1  0  0  0
 26 85  1  0  0  0
 27 31  2  0  0  0
 27 86  1  0  0  0
 28 87  1  0  0  0
 28 88  1  0  0  0
 28 89  1  0  0  0
 29 25  1  0  0  0
 29 90  1  0  0  0
 29 91  1  0  0  0
 29 92  1  0  0  0
 30 26  1  0  0  0
 30 33  2  0  0  0
 31 34  1  0  0  0
 31 93  1  0  0  0
 32 30  1  0  0  0
 32 94  1  0  0  0
 32 95  1  0  0  0
 32 96  1  0  0  0
 33 97  1  0  0  0
 34 36  1  0  0  0
 35 33  1  0  0  0
 35 38  2  0  0  0
 35 98  1  0  0  0
 36 99  1  0  0  0
 36100  1  0  0  0
 36101  1  0  0  0
 37 34  2  0  0  0
 37102  1  0  0  0
 38103  1  0  0  0
 39 37  1  0  0  0
 39104  1  0  0  0
 40 38  1  0  0  0
 40 43  2  0  0  0
 41 39  2  0  0  0
 41105  1  0  0  0
 42 40  1  0  0  0
 42106  1  0  0  0
 42107  1  0  0  0
 42108  1  0  0  0
 43 45  1  0  0  0
 43109  1  0  0  0
 44 41  1  0  0  0
 44 46  1  0  0  0
 45 48  2  0  0  0
 45110  1  0  0  0
 46111  1  0  0  0
 46112  1  0  0  0
 46113  1  0  0  0
 47 44  2  0  0  0
 47114  1  0  0  0
 48 50  1  0  0  0
 48115  1  0  0  0
 49 47  1  0  0  0
 49116  1  0  0  0
 50 52  2  0  0  0
 50117  1  0  0  0
 51 49  2  0  0  0
 51118  1  0  0  0
 52 51  1  0  0  0
 52 53  1  0  0  0
 53119  1  0  0  0
 53120  1  0  0  0
 53121  1  0  0  0
M  END
$$$$
