UYI
  CCTOOLS-0124251000

 82 85  0  0  1  0  0  0  0  0999 V2000
   -4.4810    0.5080   -1.3300 C   0  0  0  0  0
   -5.7540    3.7920   -0.4920 C   0  0  0  0  0
   -3.7340    4.6550    0.4830 C   0  0  0  0  0
   -3.7660    2.4250   -0.3750 C   0  0  0  0  0
    0.2110    1.5560    1.4250 C   0  0  0  0  0
    1.2640    2.2410    0.5480 C   0  0  0  0  0
    2.7990    0.2860    0.8250 C   0  0  0  0  0
    4.2050   -0.1480    1.2420 C   0  0  0  0  0
    5.7780    1.7870    1.0290 C   0  0  0  0  0
   -5.1250   -3.1120   -0.5480 C   0  0  0  0  0
   -3.8700   -3.4600    0.2540 C   0  0  0  0  0
   -3.2620   -4.7560   -0.2850 C   0  0  0  0  0
   -2.8660   -2.3430    0.1250 C   0  0  0  0  0
   -1.9610   -0.1890    0.8170 C   0  0  0  0  0
   -2.0480    0.4140   -0.5860 C   0  0  0  0  0
   -3.3950    1.0650   -0.7710 C   0  0  0  0  0
   -5.1140    2.5830   -0.7460 C   0  0  0  0  0
   -5.0630    4.8170    0.1180 C   0  0  0  0  0
   -3.0860    3.4760    0.2420 C   0  0  0  0  0
   -0.5740   -0.7320    1.0460 C   0  0  0  0  0
    2.6600    1.8010    0.9960 C   0  0  0  0  0
    1.7630   -0.4200    1.7050 C   0  0  0  0  0
    5.2260    0.6490    0.4720 C   0  0  0  0  0
    6.7110    2.5210    0.3200 C   0  0  0  0  0
    7.0920    2.1170   -0.9460 C   0  0  0  0  0
    6.5390    0.9790   -1.5030 C   0  0  0  0  0
    5.6110    0.2420   -0.7920 C   0  0  0  0  0
    2.5670   -0.0800   -0.6190 C   0  0  0  0  0
    2.5720   -1.7000   -2.4390 C   0  0  0  0  0
    1.9300   -3.3600   -0.1010 C   0  0  0  0  0
    4.3000   -2.9350   -0.3550 C   0  0  0  0  0
   -2.9370   -1.2750    0.9430 N   0  0  0  0  0
   -5.5180    1.4000   -1.3240 N   0  0  0  0  0
    0.4300    0.1040    1.3800 N   0  0  0  0  0
    2.7090   -1.3580   -1.0210 N   0  0  0  0  0
    2.9820   -2.3360   -0.1060 N   0  0  0  0  0
   -4.2260   -3.6360    1.6680 N   0  0  0  0  0
   -1.9940   -2.4060   -0.7160 O   0  0  0  0  0
   -0.3610   -1.9200    0.9300 O   0  0  0  0  0
    2.2520    0.7760   -1.4180 O   0  0  0  0  0
   -4.5270   -0.4940   -1.7290 H   0  0  0  0  0
   -6.7880    3.9270   -0.7720 H   0  0  0  0  0
   -3.2070    5.4690    0.9600 H   0  0  0  0  0
    0.3060    1.9080    2.4520 H   0  0  0  0  0
   -0.7850    1.7900    1.0490 H   0  0  0  0  0
    1.1100    1.9570   -0.4930 H   0  0  0  0  0
    1.1730    3.3220    0.6480 H   0  0  0  0  0
    4.3380    0.0270    2.3090 H   0  0  0  0  0
    4.3360   -1.2090    1.0290 H   0  0  0  0  0
    5.4780    2.1060    2.0160 H   0  0  0  0  0
   -5.5580   -2.1890   -0.1650 H   0  0  0  0  0
   -4.8610   -2.9820   -1.5980 H   0  0  0  0  0
   -5.8510   -3.9200   -0.4550 H   0  0  0  0  0
   -2.9980   -4.6260   -1.3340 H   0  0  0  0  0
   -2.3680   -5.0040    0.2870 H   0  0  0  0  0
   -3.9880   -5.5640   -0.1910 H   0  0  0  0  0
   -2.1770    0.5810    1.5580 H   0  0  0  0  0
   -1.2630    1.1610   -0.7100 H   0  0  0  0  0
   -1.9200   -0.3740   -1.3290 H   0  0  0  0  0
   -5.5620    5.7550    0.3140 H   0  0  0  0  0
   -2.0520    3.3580    0.5280 H   0  0  0  0  0
    3.4120    2.3060    0.3890 H   0  0  0  0  0
    2.8040    2.0620    2.0440 H   0  0  0  0  0
    1.7910   -1.4930    1.5120 H   0  0  0  0  0
    1.9850   -0.2290    2.7550 H   0  0  0  0  0
    7.1430    3.4100    0.7560 H   0  0  0  0  0
    7.8200    2.6910   -1.5000 H   0  0  0  0  0
    6.8360    0.6640   -2.4920 H   0  0  0  0  0
    5.1800   -0.6470   -1.2270 H   0  0  0  0  0
    3.5440   -1.6300   -2.9260 H   0  0  0  0  0
    2.1910   -2.7170   -2.5320 H   0  0  0  0  0
    1.8770   -1.0070   -2.9140 H   0  0  0  0  0
    2.0600   -4.0100    0.7640 H   0  0  0  0  0
    0.9530   -2.8780   -0.0510 H   0  0  0  0  0
    1.9950   -3.9530   -1.0140 H   0  0  0  0  0
    5.0760   -2.1890   -0.1860 H   0  0  0  0  0
    4.4500   -3.7760    0.3230 H   0  0  0  0  0
    4.3510   -3.2860   -1.3850 H   0  0  0  0  0
   -3.6340   -1.2240    1.6160 H   0  0  0  0  0
   -6.4050    1.2250   -1.6740 H   0  0  0  0  0
   -4.9450   -4.3350    1.7760 H   0  0  0  0  0
   -3.4130   -3.8660    2.2200 H   0  0  0  0  0
  1 33  1  0  0  0
  1 16  2  0  0  0
  1 41  1  0  0  0
  2 18  1  0  0  0
  2 42  1  0  0  0
  3 43  1  0  0  0
  4 19  2  0  0  0
  5  6  1  0  0  0
  5 44  1  0  0  0
  5 45  1  0  0  0
  6 46  1  0  0  0
  6 47  1  0  0  0
  7 21  1  0  0  0
  8  7  1  0  0  0
  8 48  1  0  0  0
  8 49  1  0  0  0
  9 23  2  0  0  0
  9 50  1  0  0  0
 10 11  1  0  0  0
 10 51  1  0  0  0
 10 52  1  0  0  0
 10 53  1  0  0  0
 11 37  1  0  0  0
 11 13  1  0  0  0
 12 11  1  0  0  0
 12 54  1  0  0  0
 12 55  1  0  0  0
 12 56  1  0  0  0
 13 32  1  0  0  0
 14 20  1  0  0  0
 14 57  1  0  0  0
 15 14  1  0  0  0
 15 58  1  0  0  0
 15 59  1  0  0  0
 16 15  1  0  0  0
 16  4  1  0  0  0
 17  2  2  0  0  0
 17  4  1  0  0  0
 18  3  2  0  0  0
 18 60  1  0  0  0
 19  3  1  0  0  0
 19 61  1  0  0  0
 20 34  1  0  0  0
 20 39  2  0  0  0
 21  6  1  0  0  0
 21 62  1  0  0  0
 21 63  1  0  0  0
 22  7  1  0  0  0
 22 34  1  0  0  0
 22 64  1  0  0  0
 22 65  1  0  0  0
 23 27  1  0  0  0
 23  8  1  0  0  0
 24 25  2  0  0  0
 24  9  1  0  0  0
 24 66  1  0  0  0
 25 26  1  0  0  0
 25 67  1  0  0  0
 26 27  2  0  0  0
 26 68  1  0  0  0
 27 69  1  0  0  0
 28  7  1  0  0  0
 28 35  1  0  0  0
 29 35  1  0  0  0
 29 70  1  0  0  0
 29 71  1  0  0  0
 29 72  1  0  0  0
 30 73  1  0  0  0
 30 74  1  0  0  0
 30 75  1  0  0  0
 31 36  1  0  0  0
 31 76  1  0  0  0
 31 77  1  0  0  0
 31 78  1  0  0  0
 32 14  1  0  0  0
 32 79  1  0  0  0
 33 17  1  0  0  0
 33 80  1  0  0  0
 34  5  1  0  0  0
 35 36  1  0  0  0
 36 30  1  0  0  0
 37 81  1  0  0  0
 37 82  1  0  0  0
 38 13  2  0  0  0
 40 28  2  0  0  0
M  END
$$$$
