ENU
  CCTOOLS-0919241031

 71 75  0  0  0  0  0  0  0  0999 V2000
    3.5000    2.3210    0.1790 C   0  0  0  0  0
    6.7710    0.7860    1.2730 C   0  0  0  0  0
    8.7730   -1.8360   -0.1710 C   0  0  0  0  0
    6.8060    1.0310   -1.1090 C   0  0  0  0  0
    5.5350    1.5730   -1.0720 C   0  0  0  0  0
   -0.2990   -1.8780   -0.2560 C   0  0  0  0  0
   -4.5520    0.6870   -0.0610 C   0  0  0  0  0
   -2.7450   -4.5060    0.9220 C   0  0  0  0  0
   -2.7420   -3.8640   -0.4670 C   0  0  0  0  0
   -1.6650   -1.5960   -0.2430 C   0  0  0  0  0
   -2.0950   -0.2630   -0.1230 C   0  0  0  0  0
   -1.1650    0.7620   -0.0170 C   0  0  0  0  0
    0.1950    0.4600   -0.0310 C   0  0  0  0  0
    1.1940    1.5410    0.0810 C   0  0  0  0  0
    4.8860    1.7310    0.1390 C   0  0  0  0  0
    5.5020    1.3330    1.3110 C   0  0  0  0  0
    7.4240    0.6370    0.0630 C   0  0  0  0  0
   10.1220   -2.5550   -0.2250 C   0  0  0  0  0
    0.6140   -0.8720   -0.1460 C   0  0  0  0  0
   -3.5700   -0.2970   -0.1420 C   0  0  0  0  0
   -5.8870    0.3300   -0.1090 C   0  0  0  0  0
   -8.2030    0.8640   -0.2040 C   0  0  0  0  0
   -9.0470    2.0420   -0.6950 C   0  0  0  0  0
  -10.4960    1.5870   -0.8810 C   0  0  0  0  0
  -11.0490    1.0850    0.4540 C   0  0  0  0  0
  -10.2050   -0.0930    0.9440 C   0  0  0  0  0
   -8.7550    0.3610    1.1310 C   0  0  0  0  0
   -6.2470   -1.0070   -0.2370 C   0  0  0  0  0
   -5.2820   -1.9870   -0.3190 C   0  0  0  0  0
   -3.9340   -1.6450   -0.2720 C   0  0  0  0  0
   -2.7780   -2.4060   -0.3310 N   0  0  0  0  0
    2.5090    1.2480    0.0680 N   0  0  0  0  0
    9.5870    0.2380    1.2970 O   0  0  0  0  0
    9.6220    0.4900   -1.1640 O   0  0  0  0  0
    0.8300    2.6970    0.1860 O   0  0  0  0  0
   -6.8490    1.2880   -0.0300 O   0  0  0  0  0
    9.0450   -0.0520    0.0160 S   0  0  0  0  0
    3.3580    2.8510    1.1220 H   0  0  0  0  0
    3.3770    3.0170   -0.6500 H   0  0  0  0  0
    7.2540    0.4790    2.1880 H   0  0  0  0  0
    8.2230   -2.0250   -1.0930 H   0  0  0  0  0
    8.1970   -2.2070    0.6780 H   0  0  0  0  0
    7.3170    0.9160   -2.0530 H   0  0  0  0  0
    5.0520    1.8800   -1.9870 H   0  0  0  0  0
    0.0370   -2.9010   -0.3480 H   0  0  0  0  0
   -4.2720    1.7250    0.0400 H   0  0  0  0  0
   -2.7180   -5.5910    0.8200 H   0  0  0  0  0
   -1.8690   -4.1720    1.4780 H   0  0  0  0  0
   -3.6490   -4.2130    1.4560 H   0  0  0  0  0
   -1.8380   -4.1570   -1.0010 H   0  0  0  0  0
   -3.6170   -4.1990   -1.0240 H   0  0  0  0  0
   -1.4930    1.7870    0.0750 H   0  0  0  0  0
    4.9920    1.4490    2.2550 H   0  0  0  0  0
    9.9580   -3.6270   -0.3380 H   0  0  0  0  0
   10.6970   -2.1850   -1.0740 H   0  0  0  0  0
   10.6720   -2.3660    0.6970 H   0  0  0  0  0
    1.6690   -1.1020   -0.1570 H   0  0  0  0  0
   -8.2400    0.0590   -0.9390 H   0  0  0  0  0
   -9.0100    2.8460    0.0400 H   0  0  0  0  0
   -8.6530    2.4000   -1.6460 H   0  0  0  0  0
  -11.0980    2.4270   -1.2310 H   0  0  0  0  0
  -10.5330    0.7830   -1.6160 H   0  0  0  0  0
  -11.0120    1.8890    1.1880 H   0  0  0  0  0
  -12.0810    0.7610    0.3210 H   0  0  0  0  0
  -10.5980   -0.4510    1.8950 H   0  0  0  0  0
  -10.2410   -0.8980    0.2090 H   0  0  0  0  0
   -8.1540   -0.4780    1.4800 H   0  0  0  0  0
   -8.7180    1.1650    1.8650 H   0  0  0  0  0
   -7.2920   -1.2790   -0.2740 H   0  0  0  0  0
   -5.5720   -3.0220   -0.4190 H   0  0  0  0  0
    2.8000    0.3260   -0.0160 H   0  0  0  0  0
  1 32  1  0  0  0
  1 15  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  2 17  2  0  0  0
  2 40  1  0  0  0
  3 18  1  0  0  0
  3 41  1  0  0  0
  3 42  1  0  0  0
  4 43  1  0  0  0
  5  4  2  0  0  0
  5 44  1  0  0  0
  6 45  1  0  0  0
  7 20  2  0  0  0
  7 21  1  0  0  0
  7 46  1  0  0  0
  8 47  1  0  0  0
  8 48  1  0  0  0
  8 49  1  0  0  0
  9  8  1  0  0  0
  9 50  1  0  0  0
  9 51  1  0  0  0
 10  6  1  0  0  0
 10 31  1  0  0  0
 11 20  1  0  0  0
 11 10  2  0  0  0
 12 11  1  0  0  0
 12 52  1  0  0  0
 13 12  2  0  0  0
 13 19  1  0  0  0
 14 13  1  0  0  0
 15  5  1  0  0  0
 16 15  2  0  0  0
 16  2  1  0  0  0
 16 53  1  0  0  0
 17  4  1  0  0  0
 17 37  1  0  0  0
 18 54  1  0  0  0
 18 55  1  0  0  0
 18 56  1  0  0  0
 19  6  2  0  0  0
 19 57  1  0  0  0
 20 30  1  0  0  0
 21 28  2  0  0  0
 22 23  1  0  0  0
 22 58  1  0  0  0
 23 59  1  0  0  0
 23 60  1  0  0  0
 24 23  1  0  0  0
 24 61  1  0  0  0
 24 62  1  0  0  0
 25 24  1  0  0  0
 25 63  1  0  0  0
 25 64  1  0  0  0
 26 27  1  0  0  0
 26 25  1  0  0  0
 26 65  1  0  0  0
 26 66  1  0  0  0
 27 22  1  0  0  0
 27 67  1  0  0  0
 27 68  1  0  0  0
 28 29  1  0  0  0
 28 69  1  0  0  0
 29 70  1  0  0  0
 30 31  1  0  0  0
 30 29  2  0  0  0
 31  9  1  0  0  0
 32 14  1  0  0  0
 32 71  1  0  0  0
 33 37  2  0  0  0
 35 14  2  0  0  0
 36 21  1  0  0  0
 36 22  1  0  0  0
 37  3  1  0  0  0
 37 34  2  0  0  0
M  END
$$$$
