929
  CCTOOLS-0919241036

113116  0  0  1  0  0  0  0  0999 V2000
   -6.1800    0.0620    3.2040 O   0  0  0  0  0
   -5.1700    0.0600    2.5270 C   0  0  0  0  0
   -4.2140    0.9850    2.7420 N   0  0  0  0  0
   -4.3910    1.9920    3.7910 C   0  0  0  0  0
   -3.0410    2.4800    4.2510 C   0  0  0  0  0
   -2.8120    2.7140    5.5940 C   0  0  0  0  0
   -1.5740    3.1620    6.0160 C   0  0  0  0  0
   -0.5660    3.3760    5.0950 C   0  0  0  0  0
   -0.7950    3.1410    3.7530 C   0  0  0  0  0
   -2.0310    2.6890    3.3310 C   0  0  0  0  0
   -5.1980    3.1680    3.2390 C   0  0  0  0  0
   -4.9890   -0.9600    1.4720 C   0  0  0  0  0
   -5.9770   -1.9210    1.2520 C   0  0  0  0  0
   -5.8080   -2.8780    0.2620 C   0  0  0  0  0
   -6.7990   -3.8390    0.0450 N   0  0  0  0  0
   -7.5030   -3.9800   -1.4470 S   0  0  0  0  0
   -7.2510   -2.7290   -2.0720 O   0  0  0  0  0
   -6.5680   -5.3010   -2.2660 C   0  0  0  0  0
   -8.8300   -4.4070   -1.1690 O   0  0  0  0  0
   -7.2140   -4.7230    1.1380 C   0  0  0  0  0
   -4.6570   -2.8830   -0.5120 C   0  0  0  0  0
   -3.8350   -0.9580    0.6920 C   0  0  0  0  0
   -3.6650   -1.9240   -0.2980 C   0  0  0  0  0
   -2.4390   -1.9300   -1.1240 C   0  0  0  0  0
   -2.2940   -2.7710   -1.9900 O   0  0  0  0  0
   -1.4820   -1.0040   -0.9160 N   0  0  0  0  0
   -0.2670   -1.0100   -1.7350 C   0  0  0  0  0
   -0.5220   -0.2420   -3.0330 C   0  0  0  0  0
   -0.7690    1.1330   -2.7330 O   0  0  0  0  0
   -1.0210    1.9430   -3.8820 C   0  0  0  0  0
   -1.2660    3.3660   -3.4500 C   0  0  0  0  0
   -0.2070    4.2480   -3.3460 C   0  0  0  0  0
   -0.4310    5.5560   -2.9500 C   0  0  0  0  0
    0.6040    6.4180   -2.8480 F   0  0  0  0  0
   -1.7170    5.9790   -2.6570 C   0  0  0  0  0
   -2.7760    5.0950   -2.7620 C   0  0  0  0  0
   -4.0310    5.5060   -2.4770 F   0  0  0  0  0
   -2.5500    3.7890   -3.1630 C   0  0  0  0  0
    0.8720   -0.3410   -0.9620 C   0  0  0  0  0
    0.5110    1.0070   -0.6550 O   0  0  0  0  0
    1.1280   -1.1090    0.3360 C   0  0  0  0  0
    2.3260   -0.4970    1.0630 C   0  0  0  0  0
    2.4710   -1.1430    2.4420 C   0  0  0  0  0
    3.5790   -0.7410    0.2610 C   0  0  0  0  0
    3.5180   -1.3450   -0.7890 O   0  0  0  0  0
    4.7660   -0.2880    0.7100 N   0  0  0  0  0
    5.9830   -0.5250   -0.0700 C   0  0  0  0  0
    6.1320    0.5700   -1.1280 C   0  0  0  0  0
    4.9650    0.4870   -2.1150 C   0  0  0  0  0
    6.1270    1.9410   -0.4490 C   0  0  0  0  0
    7.1790   -0.5030    0.8470 C   0  0  0  0  0
    7.0950    0.0130    1.9410 O   0  0  0  0  0
    8.3420   -1.0560    0.4500 N   0  0  0  0  0
    9.4710   -1.1340    1.3800 C   0  0  0  0  0
   10.6420   -1.7910    0.6950 C   0  0  0  0  0
   11.5610   -1.0210    0.0070 C   0  0  0  0  0
   12.6350   -1.6230   -0.6210 C   0  0  0  0  0
   12.7900   -2.9960   -0.5610 C   0  0  0  0  0
   11.8720   -3.7660    0.1280 C   0  0  0  0  0
   10.8000   -3.1630    0.7600 C   0  0  0  0  0
   -3.4080    0.9840    2.2020 H   0  0  0  0  0
   -4.9230    1.5490    4.6330 H   0  0  0  0  0
   -3.6000    2.5470    6.3140 H   0  0  0  0  0
   -1.3950    3.3450    7.0660 H   0  0  0  0  0
    0.4010    3.7270    5.4250 H   0  0  0  0  0
   -0.0070    3.3090    3.0330 H   0  0  0  0  0
   -2.2090    2.5020    2.2820 H   0  0  0  0  0
   -6.1740    2.8150    2.9060 H   0  0  0  0  0
   -5.3290    3.9180    4.0190 H   0  0  0  0  0
   -4.6650    3.6110    2.3970 H   0  0  0  0  0
   -6.8740   -1.9200    1.8540 H   0  0  0  0  0
   -6.6540   -6.2200   -1.6870 H   0  0  0  0  0
   -6.9680   -5.4630   -3.2670 H   0  0  0  0  0
   -5.5190   -5.0130   -2.3370 H   0  0  0  0  0
   -8.0370   -4.2620    1.6840 H   0  0  0  0  0
   -7.5400   -5.6790    0.7280 H   0  0  0  0  0
   -6.3740   -4.8850    1.8130 H   0  0  0  0  0
   -4.5280   -3.6300   -1.2820 H   0  0  0  0  0
   -3.0710   -0.2130    0.8560 H   0  0  0  0  0
   -1.5970   -0.3340   -0.2250 H   0  0  0  0  0
    0.0080   -2.0390   -1.9690 H   0  0  0  0  0
    0.3510   -0.3220   -3.6800 H   0  0  0  0  0
   -1.3900   -0.6640   -3.5400 H   0  0  0  0  0
   -0.1580    1.9090   -4.5470 H   0  0  0  0  0
   -1.8990    1.5660   -4.4070 H   0  0  0  0  0
    0.7950    3.9180   -3.5750 H   0  0  0  0  0
   -1.8920    6.9980   -2.3470 H   0  0  0  0  0
   -3.3770    3.1000   -3.2490 H   0  0  0  0  0
    1.7760   -0.3460   -1.5710 H   0  0  0  0  0
   -0.2860    1.0870   -0.1140 H   0  0  0  0  0
    0.2460   -1.0480    0.9740 H   0  0  0  0  0
    1.3370   -2.1540    0.1050 H   0  0  0  0  0
    2.1720    0.5760    1.1790 H   0  0  0  0  0
    2.7130   -2.2000    2.3250 H   0  0  0  0  0
    3.2690   -0.6470    2.9940 H   0  0  0  0  0
    1.5340   -1.0430    2.9900 H   0  0  0  0  0
    4.8140    0.1950    1.5500 H   0  0  0  0  0
    5.9180   -1.4960   -0.5590 H   0  0  0  0  0
    7.0710    0.4330   -1.6640 H   0  0  0  0  0
    4.0360    0.7340   -1.6020 H   0  0  0  0  0
    5.1290    1.1910   -2.9310 H   0  0  0  0  0
    4.9000   -0.5250   -2.5160 H   0  0  0  0  0
    6.9580    2.0000    0.2550 H   0  0  0  0  0
    6.2330    2.7210   -1.2030 H   0  0  0  0  0
    5.1880    2.0780    0.0860 H   0  0  0  0  0
    8.4320   -1.4030   -0.4520 H   0  0  0  0  0
    9.7520   -0.1290    1.6960 H   0  0  0  0  0
    9.1840   -1.7220    2.2520 H   0  0  0  0  0
   11.4400    0.0510   -0.0400 H   0  0  0  0  0
   13.3530   -1.0220   -1.1590 H   0  0  0  0  0
   13.6290   -3.4660   -1.0520 H   0  0  0  0  0
   11.9930   -4.8380    0.1750 H   0  0  0  0  0
   10.0840   -3.7640    1.3010 H   0  0  0  0  0
  1  2  2  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  3  4  1  0  0  0
  3 61  1  0  0  0
  4  5  1  0  0  0
  4 11  1  0  0  0
  4 62  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 63  1  0  0  0
  7  8  2  0  0  0
  7 64  1  0  0  0
  8  9  1  0  0  0
  8 65  1  0  0  0
  9 10  2  0  0  0
  9 66  1  0  0  0
 10 67  1  0  0  0
 11 68  1  0  0  0
 11 69  1  0  0  0
 11 70  1  0  0  0
 12 13  2  0  0  0
 12 22  1  0  0  0
 13 14  1  0  0  0
 13 71  1  0  0  0
 14 15  1  0  0  0
 14 21  2  0  0  0
 15 16  1  0  0  0
 15 20  1  0  0  0
 16 17  2  0  0  0
 16 18  1  0  0  0
 16 19  2  0  0  0
 18 72  1  0  0  0
 18 73  1  0  0  0
 18 74  1  0  0  0
 20 75  1  0  0  0
 20 76  1  0  0  0
 20 77  1  0  0  0
 21 23  1  0  0  0
 21 78  1  0  0  0
 22 23  2  0  0  0
 22 79  1  0  0  0
 23 24  1  0  0  0
 24 25  2  0  0  0
 24 26  1  0  0  0
 26 27  1  0  0  0
 26 80  1  0  0  0
 27 28  1  0  0  0
 27 39  1  0  0  0
 27 81  1  0  0  0
 28 29  1  0  0  0
 28 82  1  0  0  0
 28 83  1  0  0  0
 29 30  1  0  0  0
 30 31  1  0  0  0
 30 84  1  0  0  0
 30 85  1  0  0  0
 31 32  2  0  0  0
 31 38  1  0  0  0
 32 33  1  0  0  0
 32 86  1  0  0  0
 33 34  1  0  0  0
 33 35  2  0  0  0
 35 36  1  0  0  0
 35 87  1  0  0  0
 36 37  1  0  0  0
 36 38  2  0  0  0
 38 88  1  0  0  0
 39 40  1  0  0  0
 39 41  1  0  0  0
 39 89  1  0  0  0
 40 90  1  0  0  0
 41 42  1  0  0  0
 41 91  1  0  0  0
 41 92  1  0  0  0
 42 43  1  0  0  0
 42 44  1  0  0  0
 42 93  1  0  0  0
 43 94  1  0  0  0
 43 95  1  0  0  0
 43 96  1  0  0  0
 44 45  2  0  0  0
 44 46  1  0  0  0
 46 47  1  0  0  0
 46 97  1  0  0  0
 47 48  1  0  0  0
 47 51  1  0  0  0
 47 98  1  0  0  0
 48 49  1  0  0  0
 48 50  1  0  0  0
 48 99  1  0  0  0
 49100  1  0  0  0
 49101  1  0  0  0
 49102  1  0  0  0
 50103  1  0  0  0
 50104  1  0  0  0
 50105  1  0  0  0
 51 52  2  0  0  0
 51 53  1  0  0  0
 53 54  1  0  0  0
 53106  1  0  0  0
 54 55  1  0  0  0
 54107  1  0  0  0
 54108  1  0  0  0
 55 56  2  0  0  0
 55 60  1  0  0  0
 56 57  1  0  0  0
 56109  1  0  0  0
 57 58  2  0  0  0
 57110  1  0  0  0
 58 59  1  0  0  0
 58111  1  0  0  0
 59 60  2  0  0  0
 59112  1  0  0  0
 60113  1  0  0  0
M  END
$$$$
