A1EMM
  CCTOOLS-0620250948

172179  0  0  0  0  0  0  0  0999 V2000
    5.3400    1.9260   -0.7550 C   0  0  0  0  0
    4.6340    3.2460   -0.9340 C   0  0  0  0  0
    3.6760    3.4740    0.2380 C   0  0  0  0  0
    2.0840    5.0370    1.1140 C   0  0  0  0  0
    1.4300    6.3900    0.8310 C   0  0  0  0  0
   -0.0200    7.5150   -0.7120 C   0  0  0  0  0
   -0.8330    7.3000   -1.9900 C   0  0  0  0  0
   -2.7050    6.0900   -2.8710 C   0  0  0  0  0
   -3.7880    5.0800   -2.4850 C   0  0  0  0  0
   -5.7140    4.8000   -1.0850 C   0  0  0  0  0
   -6.5810    5.5260   -0.0550 C   0  0  0  0  0
   -7.6910    4.6140    0.3990 C   0  0  0  0  0
    5.1010    1.2370    0.2130 O   0  0  0  0  0
    3.0070    4.7250    0.0680 O   0  0  0  0  0
    0.6390    6.2980   -0.3560 O   0  0  0  0  0
   -1.8820    6.3630   -1.7350 O   0  0  0  0  0
   -4.6610    5.6650   -1.5160 O   0  0  0  0  0
   -7.7800    3.4940   -0.0560 O   0  0  0  0  0
   12.9530    0.5890    0.9970 C   0  0  0  0  0
   10.0640   -3.3190    0.7010 N   0  0  0  0  0
   15.8620   -0.9800    2.3150 C   0  0  0  0  0
    8.3970   -1.9930   -1.0420 C   0  0  0  0  0
   15.6090    1.0120   -0.6640 C   0  0  0  0  0
   14.1910    2.6660   -1.6570 C   0  0  0  0  0
   16.0910    3.3370   -0.3520 C   0  0  0  0  0
    7.0870   -1.9030   -0.6070 C   0  0  0  0  0
   13.7340   -3.0270    0.8640 C   0  0  0  0  0
   12.4540   -3.5700    0.7870 C   0  0  0  0  0
   11.3420   -2.7580    0.7790 C   0  0  0  0  0
   11.4980   -1.3580    0.8490 C   0  0  0  0  0
   12.8000   -0.8050    0.9270 C   0  0  0  0  0
   13.9190   -1.6640    0.9340 C   0  0  0  0  0
   10.3860   -0.5010    0.8420 C   0  0  0  0  0
   10.5720    0.8460    0.9050 C   0  0  0  0  0
   11.8520    1.3900    0.9870 C   0  0  0  0  0
    9.3870   -3.7710    1.9190 C   0  0  0  0  0
   14.5050    1.3400   -1.4290 C   0  0  0  0  0
   14.9840    3.6680   -1.1190 C   0  0  0  0  0
   16.4020    2.0090   -0.1260 C   0  0  0  0  0
    6.3670   -0.7430   -0.8160 C   0  0  0  0  0
    6.9600    0.3340   -1.4620 C   0  0  0  0  0
    8.2750    0.2400   -1.8970 C   0  0  0  0  0
    8.9900   -0.9230   -1.6860 C   0  0  0  0  0
   16.5020   -2.2850    2.7130 C   0  0  0  0  0
    9.8260   -5.1750    2.2460 C   0  0  0  0  0
   13.5230    5.2410   -2.1410 C   0  0  0  0  0
   15.2100   -1.1340    1.0120 N   0  0  0  0  0
    6.2330    1.5100   -1.6750 N   0  0  0  0  0
   17.0610   -2.4170    3.9320 N   0  0  0  0  0
    9.3300   -5.8010    3.3320 N   0  0  0  0  0
   10.3470   -3.4910   -1.7450 O   0  0  0  0  0
    8.3610   -4.5150   -0.6250 O   0  0  0  0  0
   15.4170   -1.4200   -1.4310 O   0  0  0  0  0
   17.3910   -0.7210   -0.0670 O   0  0  0  0  0
   14.6770    4.9730   -1.3420 O   0  0  0  0  0
   16.5150   -3.2160    1.9360 O   0  0  0  0  0
   10.6250   -5.7420    1.5310 O   0  0  0  0  0
   16.0030   -0.6800   -0.3690 S   0  0  0  0  0
    9.3150   -3.4720   -0.7680 S   0  0  0  0  0
  -10.6510   -1.5390   -1.1170 C   0  0  0  0  0
  -13.4780    0.6870    2.1640 N   0  0  0  0  0
  -10.6350   -4.8070    0.3120 C   0  0  0  0  0
  -11.4420    2.4170    2.8260 C   0  0  0  0  0
  -11.5640   -3.8670   -3.0290 C   0  0  0  0  0
   -9.7960   -4.0040   -4.6380 C   0  0  0  0  0
  -11.2560   -2.0980   -4.6120 C   0  0  0  0  0
  -10.1820    1.9510    2.4990 C   0  0  0  0  0
  -13.0990   -2.8790    1.3150 C   0  0  0  0  0
  -13.5340   -1.7060    1.9250 C   0  0  0  0  0
  -13.0300   -0.4820    1.5430 C   0  0  0  0  0
  -12.0600   -0.4150    0.5210 C   0  0  0  0  0
  -11.6160   -1.6090   -0.1000 C   0  0  0  0  0
  -12.1530   -2.8460    0.3150 C   0  0  0  0  0
  -11.5260    0.8160    0.1060 C   0  0  0  0  0
  -10.5820    0.8450   -0.8750 C   0  0  0  0  0
  -10.1500   -0.3290   -1.4890 C   0  0  0  0  0
  -14.6770    1.3660    1.6680 C   0  0  0  0  0
  -10.4900   -4.5470   -3.5740 C   0  0  0  0  0
  -10.1770   -2.7770   -5.1600 C   0  0  0  0  0
  -11.9460   -2.6440   -3.5480 C   0  0  0  0  0
   -9.2320    2.8200    1.9970 C   0  0  0  0  0
   -9.5450    4.1610    1.8200 C   0  0  0  0  0
  -10.8120    4.6250    2.1490 C   0  0  0  0  0
  -11.7570    3.7520    2.6510 C   0  0  0  0  0
  -11.1920   -5.7260    1.3680 C   0  0  0  0  0
  -15.9000    0.7550    2.3040 C   0  0  0  0  0
   -9.9440   -0.9740   -6.6920 C   0  0  0  0  0
  -11.7250   -4.0330   -0.2870 N   0  0  0  0  0
   -8.5850    5.0440    1.3120 N   0  0  0  0  0
  -10.3570   -6.4570    2.1340 N   0  0  0  0  0
  -17.1180    1.2790    2.0630 N   0  0  0  0  0
  -13.5820    2.0950    4.1880 O   0  0  0  0  0
  -11.9380    0.2190    4.0350 O   0  0  0  0  0
  -13.7470   -3.9810   -1.7020 O   0  0  0  0  0
  -12.2310   -5.9680   -1.7330 O   0  0  0  0  0
   -9.4960   -2.2400   -6.2060 O   0  0  0  0  0
  -12.3910   -5.8080    1.5300 O   0  0  0  0  0
  -15.7870   -0.2080    3.0320 O   0  0  0  0  0
  -12.4520   -4.5650   -1.6770 S   0  0  0  0  0
  -12.6530    1.3040    3.4600 S   0  0  0  0  0
    5.3690    4.0500   -0.9650 H   0  0  0  0  0
    4.0700    3.2330   -1.8670 H   0  0  0  0  0
    2.9410    2.6700    0.2680 H   0  0  0  0  0
    4.2400    3.4870    1.1700 H   0  0  0  0  0
    2.6150    5.0820    2.0650 H   0  0  0  0  0
    1.3160    4.2650    1.1630 H   0  0  0  0  0
    0.7940    6.6690    1.6710 H   0  0  0  0  0
    2.2030    7.1460    0.6940 H   0  0  0  0  0
    0.7230    8.2940   -0.8810 H   0  0  0  0  0
   -0.6860    7.8170    0.0960 H   0  0  0  0  0
   -1.2630    8.2490   -2.3110 H   0  0  0  0  0
   -0.1820    6.9120   -2.7740 H   0  0  0  0  0
   -2.0930    5.6770   -3.6730 H   0  0  0  0  0
   -3.1740    7.0140   -3.2100 H   0  0  0  0  0
   -4.3600    4.8050   -3.3700 H   0  0  0  0  0
   -3.3210    4.1900   -2.0620 H   0  0  0  0  0
   -5.2860    3.9050   -0.6340 H   0  0  0  0  0
   -6.3260    4.5190   -1.9420 H   0  0  0  0  0
   -5.9690    5.8080    0.8020 H   0  0  0  0  0
   -7.0080    6.4220   -0.5060 H   0  0  0  0  0
   13.9400    1.0240    1.0610 H   0  0  0  0  0
   15.1200   -0.6980    3.0610 H   0  0  0  0  0
   16.6260   -0.2060    2.2500 H   0  0  0  0  0
   13.3280    2.9220   -2.2550 H   0  0  0  0  0
   16.7110    4.1150    0.0690 H   0  0  0  0  0
    6.6270   -2.7410   -0.1050 H   0  0  0  0  0
   14.5920   -3.6830    0.8700 H   0  0  0  0  0
   12.3320   -4.6420    0.7340 H   0  0  0  0  0
    9.3870   -0.9090    0.7820 H   0  0  0  0  0
    9.7140    1.5030    0.8990 H   0  0  0  0  0
   11.9730    2.4610    1.0460 H   0  0  0  0  0
    9.6450   -3.1090    2.7450 H   0  0  0  0  0
    8.3080   -3.7550    1.7630 H   0  0  0  0  0
   13.8880    0.5590   -1.8490 H   0  0  0  0  0
   17.2630    1.7510    0.4710 H   0  0  0  0  0
    5.3440   -0.6740   -0.4770 H   0  0  0  0  0
    8.7390    1.0760   -2.4000 H   0  0  0  0  0
   10.0130   -0.9960   -2.0240 H   0  0  0  0  0
   12.6430    4.8100   -1.6630 H   0  0  0  0  0
   13.3920    6.3180   -2.2410 H   0  0  0  0  0
   13.6530    4.7970   -3.1280 H   0  0  0  0  0
    6.3710    2.0260   -2.4850 H   0  0  0  0  0
   17.4730   -3.2570    4.1890 H   0  0  0  0  0
   17.0510   -1.6730    4.5540 H   0  0  0  0  0
    8.6910   -5.3480    3.9030 H   0  0  0  0  0
    9.6130   -6.7050    3.5420 H   0  0  0  0  0
  -10.3040   -2.4410   -1.5980 H   0  0  0  0  0
   -9.9130   -4.1270    0.7660 H   0  0  0  0  0
  -10.1410   -5.3970   -0.4600 H   0  0  0  0  0
   -8.9570   -4.5350   -5.0630 H   0  0  0  0  0
  -11.5550   -1.1420   -5.0170 H   0  0  0  0  0
   -9.9390    0.9080    2.6370 H   0  0  0  0  0
  -13.5080   -3.8270    1.6310 H   0  0  0  0  0
  -14.2760   -1.7550    2.7080 H   0  0  0  0  0
  -11.8550    1.7340    0.5700 H   0  0  0  0  0
  -10.1730    1.7930   -1.1920 H   0  0  0  0  0
   -9.4080   -0.2780   -2.2720 H   0  0  0  0  0
  -14.6270    2.4250    1.9230 H   0  0  0  0  0
  -14.7370    1.2550    0.5860 H   0  0  0  0  0
  -10.1930   -5.5020   -3.1670 H   0  0  0  0  0
  -12.7860   -2.1150   -3.1210 H   0  0  0  0  0
   -8.2480    2.4560    1.7420 H   0  0  0  0  0
  -11.0580    5.6680    2.0130 H   0  0  0  0  0
  -12.7430    4.1110    2.9040 H   0  0  0  0  0
  -10.9780   -1.0590   -7.0290 H   0  0  0  0  0
   -9.8830   -0.2350   -5.8930 H   0  0  0  0  0
   -9.3160   -0.6600   -7.5260 H   0  0  0  0  0
   -8.5640    5.9640    1.6160 H   0  0  0  0  0
   -9.3980   -6.3910    2.0050 H   0  0  0  0  0
  -10.7160   -7.0480    2.8140 H   0  0  0  0  0
  -17.9040    0.8860    2.4720 H   0  0  0  0  0
  -17.2080    2.0490    1.4800 H   0  0  0  0  0
  1  2  1  0  0  0
  1 13  2  0  0  0
  2  3  1  0  0  0
  2101  1  0  0  0
  2102  1  0  0  0
  3 14  1  0  0  0
  3103  1  0  0  0
  3104  1  0  0  0
  4  5  1  0  0  0
  4105  1  0  0  0
  4106  1  0  0  0
  5 15  1  0  0  0
  5107  1  0  0  0
  5108  1  0  0  0
  6  7  1  0  0  0
  6109  1  0  0  0
  6110  1  0  0  0
  7 16  1  0  0  0
  7111  1  0  0  0
  7112  1  0  0  0
  8  9  1  0  0  0
  8113  1  0  0  0
  8114  1  0  0  0
  9 17  1  0  0  0
  9115  1  0  0  0
  9116  1  0  0  0
 10 11  1  0  0  0
 10117  1  0  0  0
 10118  1  0  0  0
 11 12  1  0  0  0
 11119  1  0  0  0
 11120  1  0  0  0
 12 89  1  0  0  0
 12 18  2  0  0  0
 14  4  1  0  0  0
 15  6  1  0  0  0
 16  8  1  0  0  0
 17 10  1  0  0  0
 19 35  1  0  0  0
 19121  1  0  0  0
 20 59  1  0  0  0
 20 36  1  0  0  0
 21 44  1  0  0  0
 21122  1  0  0  0
 21123  1  0  0  0
 22 43  2  0  0  0
 23 39  2  0  0  0
 24 37  2  0  0  0
 24124  1  0  0  0
 25 38  2  0  0  0
 25125  1  0  0  0
 26 22  1  0  0  0
 26126  1  0  0  0
 27 32  2  0  0  0
 27127  1  0  0  0
 28 27  1  0  0  0
 28128  1  0  0  0
 29 28  2  0  0  0
 29 20  1  0  0  0
 30 31  1  0  0  0
 30 29  1  0  0  0
 31 19  2  0  0  0
 32 31  1  0  0  0
 32 47  1  0  0  0
 33 30  2  0  0  0
 33129  1  0  0  0
 34 33  1  0  0  0
 34130  1  0  0  0
 35 34  2  0  0  0
 35131  1  0  0  0
 36 45  1  0  0  0
 36133  1  0  0  0
 36132  1  0  0  0
 37 23  1  0  0  0
 37134  1  0  0  0
 38 24  1  0  0  0
 38 55  1  0  0  0
 39 25  1  0  0  0
 39135  1  0  0  0
 40 26  2  0  0  0
 40136  1  0  0  0
 41 40  1  0  0  0
 41 48  1  0  0  0
 42 41  2  0  0  0
 42137  1  0  0  0
 43 42  1  0  0  0
 43138  1  0  0  0
 44 49  1  0  0  0
 44 56  2  0  0  0
 45 50  1  0  0  0
 45 57  2  0  0  0
 46140  1  0  0  0
 46141  1  0  0  0
 46139  1  0  0  0
 47 58  1  0  0  0
 47 21  1  0  0  0
 48  1  1  0  0  0
 48142  1  0  0  0
 49144  1  0  0  0
 49143  1  0  0  0
 50145  1  0  0  0
 50146  1  0  0  0
 55 46  1  0  0  0
 58 23  1  0  0  0
 58 54  2  0  0  0
 58 53  2  0  0  0
 59 22  1  0  0  0
 59 52  2  0  0  0
 59 51  2  0  0  0
 60 72  1  0  0  0
 60147  1  0  0  0
 61 70  1  0  0  0
 61 77  1  0  0  0
 62 85  1  0  0  0
 62148  1  0  0  0
 62149  1  0  0  0
 63 84  1  0  0  0
 63100  1  0  0  0
 64 78  2  0  0  0
 65 79  2  0  0  0
 65150  1  0  0  0
 66 80  2  0  0  0
 66151  1  0  0  0
 67 63  2  0  0  0
 67152  1  0  0  0
 68 69  2  0  0  0
 68153  1  0  0  0
 69 70  1  0  0  0
 69154  1  0  0  0
 70 71  2  0  0  0
 71 72  1  0  0  0
 71 74  1  0  0  0
 72 73  2  0  0  0
 73 68  1  0  0  0
 73 88  1  0  0  0
 74 75  2  0  0  0
 74155  1  0  0  0
 75 76  1  0  0  0
 75156  1  0  0  0
 76 60  2  0  0  0
 76157  1  0  0  0
 77 86  1  0  0  0
 77158  1  0  0  0
 77159  1  0  0  0
 78 65  1  0  0  0
 78160  1  0  0  0
 79 66  1  0  0  0
 79 96  1  0  0  0
 80 64  1  0  0  0
 80161  1  0  0  0
 81 67  1  0  0  0
 81162  1  0  0  0
 82 81  2  0  0  0
 83 82  1  0  0  0
 83163  1  0  0  0
 84 83  2  0  0  0
 84164  1  0  0  0
 85 90  1  0  0  0
 85 97  2  0  0  0
 86 91  1  0  0  0
 86 98  2  0  0  0
 87166  1  0  0  0
 87165  1  0  0  0
 87167  1  0  0  0
 88 99  1  0  0  0
 88 62  1  0  0  0
 89 82  1  0  0  0
 89168  1  0  0  0
 90169  1  0  0  0
 90170  1  0  0  0
 91172  1  0  0  0
 91171  1  0  0  0
 96 87  1  0  0  0
 99 64  1  0  0  0
 99 94  2  0  0  0
 99 95  2  0  0  0
100 61  1  0  0  0
100 92  2  0  0  0
100 93  2  0  0  0
M  END
$$$$
