AUL
  CCTOOLS-0919241030

 88 89  0  0  1  0  0  0  0  0999 V2000
    8.7780   -1.9130   -1.1920 O   0  0  0  0  0
    8.3250   -1.2310   -0.2960 C   0  0  0  0  0
    9.1790   -0.1710    0.3490 C   0  0  0  0  0
   10.5630   -0.1630   -0.3050 C   0  0  0  0  0
   11.4300    0.9140    0.3510 C   0  0  0  0  0
   12.8130    0.9220   -0.3030 C   0  0  0  0  0
   13.6810    1.9980    0.3520 C   0  0  0  0  0
   15.0640    2.0070   -0.3020 C   0  0  0  0  0
   15.9320    3.0830    0.3540 C   0  0  0  0  0
   17.3150    3.0910   -0.3000 C   0  0  0  0  0
   18.1830    4.1670    0.3550 C   0  0  0  0  0
   19.4750    4.1750   -0.2550 O   0  0  0  0  0
    7.0560   -1.4180    0.1170 N   0  0  0  0  0
    6.2230   -2.4440   -0.5150 C   0  0  0  0  0
    4.8380   -2.4490    0.1350 C   0  0  0  0  0
    3.9680   -3.5210   -0.5240 C   0  0  0  0  0
    2.6040   -3.5250    0.1160 C   0  0  0  0  0
    1.5190   -3.3850   -0.6340 C   0  0  0  0  0
    0.1790   -3.5020   -0.0230 C   0  0  0  0  0
   -0.9470   -3.4740   -0.7940 C   0  0  0  0  0
   -2.1710   -3.5850   -0.2000 N   0  0  0  0  0
   -2.2920   -3.7210    1.1300 C   0  0  0  0  0
   -3.4030   -3.8160    1.6150 O   0  0  0  0  0
   -1.2210   -3.7550    1.9420 N   0  0  0  0  0
    0.0240   -3.6570    1.4310 C   0  0  0  0  0
    0.9990   -3.6920    2.1590 O   0  0  0  0  0
   -3.3770   -3.5540   -1.0310 C   0  0  0  0  0
   -4.3070   -2.5690   -0.5300 O   0  0  0  0  0
   -5.5920   -2.9520   -1.0670 C   0  0  0  0  0
   -5.6240   -4.4920   -0.9560 C   0  0  0  0  0
   -6.2790   -5.0630   -2.0900 O   0  0  0  0  0
   -4.1310   -4.8990   -0.9330 C   0  0  0  0  0
   -6.7200   -2.3340   -0.2370 C   0  0  0  0  0
   -6.7450   -0.9210   -0.4460 O   0  0  0  0  0
   -7.8080    0.0520    0.2730 P   0  0  0  0  0
   -9.2920   -0.2990   -0.2430 O   0  0  0  0  0
   -7.7370   -0.1370    1.7390 O   0  0  0  0  0
   -7.4630    1.5830   -0.0880 O   0  0  0  0  0
   -7.8320    3.0000    0.5810 P   0  0  0  0  0
   -9.2390    2.9770    1.0400 O   0  0  0  0  0
   -6.8620    3.2700    1.8370 O   0  0  0  0  0
   -7.6420    4.1720   -0.5060 O   0  0  0  0  0
   -8.1140    5.7090   -0.5870 P   0  0  0  0  0
   -8.0720    6.2040   -2.1190 O   0  0  0  0  0
   -9.4950    5.8300   -0.0680 O   0  0  0  0  0
   -7.1260    6.6220    0.2980 O   0  0  0  0  0
    8.7100    0.8040    0.2190 H   0  0  0  0  0
    9.2820   -0.3850    1.4130 H   0  0  0  0  0
   11.0320   -1.1380   -0.1740 H   0  0  0  0  0
   10.4600    0.0520   -1.3690 H   0  0  0  0  0
   10.9610    1.8880    0.2200 H   0  0  0  0  0
   11.5330    0.6990    1.4150 H   0  0  0  0  0
   13.2830   -0.0530   -0.1720 H   0  0  0  0  0
   12.7110    1.1360   -1.3670 H   0  0  0  0  0
   13.2120    2.9730    0.2220 H   0  0  0  0  0
   13.7840    1.7840    1.4160 H   0  0  0  0  0
   15.5340    1.0320   -0.1710 H   0  0  0  0  0
   14.9620    2.2210   -1.3660 H   0  0  0  0  0
   15.4620    4.0580    0.2230 H   0  0  0  0  0
   16.0340    2.8690    1.4180 H   0  0  0  0  0
   17.7850    2.1160   -0.1690 H   0  0  0  0  0
   17.2130    3.3050   -1.3640 H   0  0  0  0  0
   17.7130    5.1420    0.2250 H   0  0  0  0  0
   18.2850    3.9530    1.4190 H   0  0  0  0  0
   20.0790    4.8350    0.1110 H   0  0  0  0  0
    6.6940   -0.8730    0.8330 H   0  0  0  0  0
    6.1240   -2.2280   -1.5790 H   0  0  0  0  0
    6.6890   -3.4210   -0.3840 H   0  0  0  0  0
    4.9370   -2.6650    1.1990 H   0  0  0  0  0
    4.3720   -1.4720    0.0050 H   0  0  0  0  0
    3.8700   -3.3040   -1.5880 H   0  0  0  0  0
    4.4340   -4.4970   -0.3940 H   0  0  0  0  0
    2.5100   -3.6420    1.1860 H   0  0  0  0  0
    1.6150   -3.1860   -1.6910 H   0  0  0  0  0
   -0.8700   -3.3650   -1.8660 H   0  0  0  0  0
   -1.3430   -3.8550    2.8990 H   0  0  0  0  0
   -3.1180   -3.3390   -2.0670 H   0  0  0  0  0
   -5.6760   -2.6450   -2.1100 H   0  0  0  0  0
   -6.1180   -4.7980   -0.0340 H   0  0  0  0  0
   -6.3270   -6.0290   -2.0720 H   0  0  0  0  0
   -3.8960   -5.5350   -1.7870 H   0  0  0  0  0
   -3.8880   -5.4050    0.0000 H   0  0  0  0  0
   -7.6730   -2.7640   -0.5440 H   0  0  0  0  0
   -6.5490   -2.5430    0.8190 H   0  0  0  0  0
   -9.4110   -0.1970   -1.1970 H   0  0  0  0  0
   -5.9230    3.2980    1.6090 H   0  0  0  0  0
   -8.3440    7.1230   -2.2430 H   0  0  0  0  0
   -6.2020    6.5910    0.0140 H   0  0  0  0  0
  1  2  2  0  0  0
  2  3  1  0  0  0
  3 47  1  0  0  0
  3 48  1  0  0  0
  4  3  1  0  0  0
  4  5  1  0  0  0
  4 49  1  0  0  0
  4 50  1  0  0  0
  5  6  1  0  0  0
  5 51  1  0  0  0
  5 52  1  0  0  0
  6  7  1  0  0  0
  6 53  1  0  0  0
  6 54  1  0  0  0
  7  8  1  0  0  0
  7 55  1  0  0  0
  7 56  1  0  0  0
  8  9  1  0  0  0
  8 57  1  0  0  0
  8 58  1  0  0  0
  9 10  1  0  0  0
  9 59  1  0  0  0
  9 60  1  0  0  0
 10 61  1  0  0  0
 10 62  1  0  0  0
 11 10  1  0  0  0
 11 12  1  0  0  0
 11 63  1  0  0  0
 11 64  1  0  0  0
 12 65  1  0  0  0
 13  2  1  0  0  0
 13 66  1  0  0  0
 14 13  1  0  0  0
 14 67  1  0  0  0
 14 68  1  0  0  0
 15 14  1  0  0  0
 15 69  1  0  0  0
 15 70  1  0  0  0
 16 17  1  0  0  0
 16 15  1  0  0  0
 16 71  1  0  0  0
 16 72  1  0  0  0
 17 73  1  0  0  0
 18 19  1  0  0  0
 18 17  2  0  0  0
 18 74  1  0  0  0
 19 25  1  0  0  0
 20 21  1  0  0  0
 20 19  2  0  0  0
 20 75  1  0  0  0
 21 22  1  0  0  0
 22 23  2  0  0  0
 22 24  1  0  0  0
 24 76  1  0  0  0
 25 24  1  0  0  0
 25 26  2  0  0  0
 27 21  1  0  0  0
 27 77  1  0  0  0
 28 27  1  0  0  0
 29 30  1  0  0  0
 29 28  1  0  0  0
 29 78  1  0  0  0
 30 32  1  0  0  0
 30 79  1  0  0  0
 31 30  1  0  0  0
 31 80  1  0  0  0
 32 27  1  0  0  0
 32 81  1  0  0  0
 32 82  1  0  0  0
 33 34  1  0  0  0
 33 29  1  0  0  0
 33 83  1  0  0  0
 33 84  1  0  0  0
 35 38  1  0  0  0
 35 34  1  0  0  0
 35 36  1  0  0  0
 36 85  1  0  0  0
 37 35  2  0  0  0
 39 41  1  0  0  0
 39 38  1  0  0  0
 40 39  2  0  0  0
 41 86  1  0  0  0
 42 39  1  0  0  0
 43 46  1  0  0  0
 43 42  1  0  0  0
 44 43  1  0  0  0
 44 87  1  0  0  0
 45 43  2  0  0  0
 46 88  1  0  0  0
M  END
$$$$
