A1ESP
  CCTOOLS-0501261012

 71 74  0  0  0  0  0  0  0  0999 V2000
   -5.2310    1.0690   -0.7670 C   0  0  0  0  0
   -5.7470    3.2940   -1.8350 C   0  0  0  0  0
   -5.3650   -1.3480    0.6020 C   0  0  0  0  0
   -6.4280    0.6690   -0.1840 C   0  0  0  0  0
    2.7420   -1.7990   -0.5630 C   0  0  0  0  0
    4.0600   -2.2090   -0.6010 C   0  0  0  0  0
    4.3650   -3.5510   -0.7380 C   0  0  0  0  0
    2.0310   -4.0840   -0.7890 C   0  0  0  0  0
    0.0150   -1.1080   -1.1530 C   0  0  0  0  0
   -1.6200    0.4770   -1.5240 C   0  0  0  0  0
   -0.6890    1.2500   -2.2280 C   0  0  0  0  0
    0.6020    0.7730   -2.3530 C   0  0  0  0  0
   -3.0140    0.9430   -1.3620 C   0  0  0  0  0
   -4.0990    0.2430   -0.6530 C   0  0  0  0  0
   -3.5430    2.0990   -1.8390 C   0  0  0  0  0
   -4.1810   -0.9650    0.0370 C   0  0  0  0  0
   -6.4900   -0.5320    0.5010 C   0  0  0  0  0
    1.7220   -2.7370   -0.6570 C   0  0  0  0  0
    3.3510   -4.4870   -0.8370 C   0  0  0  0  0
    5.1680   -1.1930   -0.4930 C   0  0  0  0  0
    6.5450    1.5300    0.7620 C   0  0  0  0  0
    7.6930    2.4520    1.1780 C   0  0  0  0  0
    8.3690    4.7730    1.2930 C   0  0  0  0  0
    7.4260    3.8870   -0.7540 C   0  0  0  0  0
   -8.5280   -0.0200    1.6180 C   0  0  0  0  0
   -9.8770   -0.4410    2.1430 C   0  0  0  0  0
  -10.6160    0.7820    2.6890 C   0  0  0  0  0
    0.9160   -0.3960   -1.8150 N   0  0  0  0  0
   -1.2310   -0.6880   -1.0050 N   0  0  0  0  0
    0.3860   -2.3260   -0.6070 N   0  0  0  0  0
   -4.8580    2.1810   -1.4910 N   0  0  0  0  0
   -7.6960   -0.9370    1.0850 N   0  0  0  0  0
    6.8200    0.1670    1.2240 N   0  0  0  0  0
    7.4160    3.8180    0.7140 N   0  0  0  0  0
    4.5490   -0.3190    1.9500 O   0  0  0  0  0
    6.2260   -2.1290    1.7700 O   0  0  0  0  0
   -8.1920    1.1430    1.6750 O   0  0  0  0  0
    5.6070   -0.9600    1.2510 S   0  0  0  0  0
   -5.7060    4.0480   -1.0490 H   0  0  0  0  0
   -5.4280    3.7350   -2.7800 H   0  0  0  0  0
   -6.7680    2.9250   -1.9330 H   0  0  0  0  0
   -5.4270   -2.2840    1.1360 H   0  0  0  0  0
   -7.3050    1.2940   -0.2640 H   0  0  0  0  0
    2.5050   -0.7510   -0.4560 H   0  0  0  0  0
    5.3970   -3.8690   -0.7670 H   0  0  0  0  0
    1.2400   -4.8160   -0.8660 H   0  0  0  0  0
   -0.9720    2.1980   -2.6600 H   0  0  0  0  0
    1.3450    1.3440   -2.8900 H   0  0  0  0  0
   -3.0030    2.8410   -2.4080 H   0  0  0  0  0
   -3.3120   -1.6020    0.1180 H   0  0  0  0  0
    3.5920   -5.5350   -0.9390 H   0  0  0  0  0
    6.0400   -1.5470   -1.0430 H   0  0  0  0  0
    4.8330   -0.2450   -0.9140 H   0  0  0  0  0
    5.6150    1.8830    1.2070 H   0  0  0  0  0
    6.4520    1.5320   -0.3240 H   0  0  0  0  0
    7.7860    2.4490    2.2640 H   0  0  0  0  0
    8.6220    2.0980    0.7320 H   0  0  0  0  0
    9.3820    4.5020    0.9950 H   0  0  0  0  0
    8.1420    5.7770    0.9330 H   0  0  0  0  0
    8.2920    4.7510    2.3790 H   0  0  0  0  0
    8.4250    3.6510   -1.1220 H   0  0  0  0  0
    6.7110    3.1700   -1.1560 H   0  0  0  0  0
    7.1500    4.8930   -1.0720 H   0  0  0  0  0
  -10.4580   -0.8870    1.3350 H   0  0  0  0  0
   -9.7440   -1.1720    2.9410 H   0  0  0  0  0
  -11.5910    0.4770    3.0690 H   0  0  0  0  0
  -10.0350    1.2270    3.4970 H   0  0  0  0  0
  -10.7490    1.5120    1.8910 H   0  0  0  0  0
   -0.2810   -2.8940   -0.1910 H   0  0  0  0  0
   -7.9340   -1.8770    1.1060 H   0  0  0  0  0
    7.7140   -0.0750    1.5150 H   0  0  0  0  0
  1 14  1  0  0  0
  1 31  1  0  0  0
  2 31  1  0  0  0
  2 39  1  0  0  0
  2 40  1  0  0  0
  2 41  1  0  0  0
  3 16  1  0  0  0
  3 42  1  0  0  0
  4  1  2  0  0  0
  4 43  1  0  0  0
  5  6  1  0  0  0
  5 44  1  0  0  0
  6 20  1  0  0  0
  7  6  2  0  0  0
  7 45  1  0  0  0
  8 19  2  0  0  0
  8 18  1  0  0  0
  8 46  1  0  0  0
  9 28  1  0  0  0
  9 30  1  0  0  0
 10 11  2  0  0  0
 10 29  1  0  0  0
 11 12  1  0  0  0
 11 47  1  0  0  0
 12 28  2  0  0  0
 12 48  1  0  0  0
 13 15  2  0  0  0
 13 10  1  0  0  0
 14 13  1  0  0  0
 15 49  1  0  0  0
 16 14  2  0  0  0
 16 50  1  0  0  0
 17  3  2  0  0  0
 17  4  1  0  0  0
 18  5  2  0  0  0
 19  7  1  0  0  0
 19 51  1  0  0  0
 20 52  1  0  0  0
 20 53  1  0  0  0
 21 54  1  0  0  0
 21 55  1  0  0  0
 22 21  1  0  0  0
 22 56  1  0  0  0
 22 57  1  0  0  0
 23 34  1  0  0  0
 23 58  1  0  0  0
 23 59  1  0  0  0
 23 60  1  0  0  0
 24 61  1  0  0  0
 24 62  1  0  0  0
 24 63  1  0  0  0
 25 32  1  0  0  0
 25 37  2  0  0  0
 26 25  1  0  0  0
 26 64  1  0  0  0
 26 65  1  0  0  0
 27 26  1  0  0  0
 27 66  1  0  0  0
 27 67  1  0  0  0
 27 68  1  0  0  0
 29  9  2  0  0  0
 30 18  1  0  0  0
 30 69  1  0  0  0
 31 15  1  0  0  0
 32 17  1  0  0  0
 32 70  1  0  0  0
 33 21  1  0  0  0
 33 38  1  0  0  0
 33 71  1  0  0  0
 34 22  1  0  0  0
 34 24  1  0  0  0
 35 38  2  0  0  0
 38 20  1  0  0  0
 38 36  2  0  0  0
M  END
$$$$
