KGP
  CCTOOLS-0919241042

 97 99  0  0  1  0  0  0  0  0999 V2000
   -9.2930    0.3350   -1.7640 O   0  0  0  0  0
   -9.4170    1.6010   -1.0090 P   0  0  0  0  0
   -9.6560    2.8180   -2.0360 O   0  0  0  0  0
  -10.6640    1.5020    0.0050 O   0  0  0  0  0
   -8.0660    1.8620   -0.1730 O   0  0  0  0  0
   -6.7710    1.8950   -0.7770 C   0  0  0  0  0
   -6.0490    3.2220   -0.4390 C   0  0  0  0  0
   -6.9860    4.2260   -0.0410 O   0  0  0  0  0
   -5.1460    2.8070    0.7500 C   0  0  0  0  0
   -3.9890    3.7000    0.8570 N   0  0  0  0  0
   -3.9520    4.9050    1.5110 C   0  0  0  0  0
   -4.8300    5.6240    2.2040 N   0  0  0  0  0
   -4.4840    6.7810    2.7280 C   0  0  0  0  0
   -3.2690    7.2830    2.5990 N   0  0  0  0  0
   -2.3250    6.6360    1.9240 C   0  0  0  0  0
   -1.0550    7.1700    1.7940 N   0  0  0  0  0
   -2.6460    5.3960    1.3460 C   0  0  0  0  0
   -1.9670    4.4820    0.6120 N   0  0  0  0  0
   -2.7520    3.4840    0.3280 C   0  0  0  0  0
   -4.7250    1.4700    0.4020 O   0  0  0  0  0
   -5.8650    0.8070   -0.1700 C   0  0  0  0  0
   -5.4090   -0.1600   -1.2640 C   0  0  0  0  0
   -4.6670   -1.2300   -0.6760 O   0  0  0  0  0
   -4.0320   -2.4340   -1.5360 P   0  0  0  0  0
   -3.1640   -1.8790   -2.5980 O   0  0  0  0  0
   -5.2150   -3.2960   -2.2060 O   0  0  0  0  0
   -3.1590   -3.3820   -0.5700 O   0  0  0  0  0
   -1.9860   -4.4560   -0.8190 P   0  0  0  0  0
   -2.6160   -5.8080   -1.4250 O   0  0  0  0  0
   -1.0020   -3.8990   -1.7740 O   0  0  0  0  0
   -1.2530   -4.7840    0.5760 O   0  0  0  0  0
   -0.1010   -5.6230    0.6720 C   0  0  0  0  0
    0.3380   -5.7230    2.1340 C   0  0  0  0  0
    0.6790   -4.3270    2.6600 C   0  0  0  0  0
   -0.7980   -6.3190    2.9680 C   0  0  0  0  0
    1.5720   -6.6220    2.2360 C   0  0  0  0  0
    1.2200   -7.9570    1.8690 O   0  0  0  0  0
    2.6430   -6.1110    1.3070 C   0  0  0  0  0
    2.9260   -6.7360    0.3070 O   0  0  0  0  0
    3.2870   -4.9610    1.5890 N   0  0  0  0  0
    4.2540   -4.4110    0.6350 C   0  0  0  0  0
    4.8370   -3.1110    1.1930 C   0  0  0  0  0
    5.8310   -2.5450    0.2120 C   0  0  0  0  0
    6.0510   -3.1240   -0.8310 O   0  0  0  0  0
    6.4750   -1.3950    0.4930 N   0  0  0  0  0
    7.4410   -0.8440   -0.4610 C   0  0  0  0  0
    8.0240    0.4560    0.0970 C   0  0  0  0  0
    8.9900    1.0070   -0.8570 N   0  0  0  0  0
    9.6340    2.1570   -0.5750 C   0  0  0  0  0
    9.4140    2.7360    0.4670 O   0  0  0  0  0
   10.6280    2.7230   -1.5560 C   0  0  0  0  0
    9.8920    3.5620   -2.6020 C   0  0  0  0  0
   11.8210    3.7670   -0.6740 S   0  0  0  0  0
   12.6810    4.3740   -1.7730 O   0  0  0  0  0
   11.1670    4.8820   -0.0840 O   0  0  0  0  0
   12.7250    2.9670    0.0760 O   0  0  0  0  0
   -9.7470    3.6810   -1.6100 H   0  0  0  0  0
  -11.5130    1.3450   -0.4300 H   0  0  0  0  0
   -6.8520    1.7670   -1.8570 H   0  0  0  0  0
   -5.4490    3.5650   -1.2820 H   0  0  0  0  0
   -6.5810    5.0760    0.1810 H   0  0  0  0  0
   -5.7130    2.8030    1.6810 H   0  0  0  0  0
   -5.2210    7.3400    3.2850 H   0  0  0  0  0
   -0.8460    8.0260    2.1980 H   0  0  0  0  0
   -0.3750    6.6880    1.2990 H   0  0  0  0  0
   -2.4650    2.6130   -0.2440 H   0  0  0  0  0
   -6.4060    0.2640    0.6050 H   0  0  0  0  0
   -6.2810   -0.5640   -1.7790 H   0  0  0  0  0
   -4.7790    0.3700   -1.9780 H   0  0  0  0  0
   -5.8250   -3.6920   -1.5670 H   0  0  0  0  0
   -3.2710   -6.2280   -0.8510 H   0  0  0  0  0
   -0.3440   -6.6170    0.2970 H   0  0  0  0  0
    0.7080   -5.1980    0.0780 H   0  0  0  0  0
    1.0810   -4.4080    3.6700 H   0  0  0  0  0
    1.4210   -3.8650    2.0100 H   0  0  0  0  0
   -0.2230   -3.7150    2.6760 H   0  0  0  0  0
   -1.1220   -7.2590    2.5210 H   0  0  0  0  0
   -0.4460   -6.5020    3.9830 H   0  0  0  0  0
   -1.6350   -5.6210    2.9930 H   0  0  0  0  0
    1.9440   -6.6120    3.2600 H   0  0  0  0  0
    0.8800   -8.0410    0.9680 H   0  0  0  0  0
    3.1110   -4.4980    2.4220 H   0  0  0  0  0
    5.0570   -5.1300    0.4750 H   0  0  0  0  0
    3.7540   -4.2080   -0.3120 H   0  0  0  0  0
    4.0330   -2.3910    1.3520 H   0  0  0  0  0
    5.3360   -3.3140    2.1400 H   0  0  0  0  0
    6.2980   -0.9310    1.3270 H   0  0  0  0  0
    8.2440   -1.5630   -0.6200 H   0  0  0  0  0
    6.9420   -0.6410   -1.4080 H   0  0  0  0  0
    7.2210    1.1750    0.2570 H   0  0  0  0  0
    8.5240    0.2530    1.0440 H   0  0  0  0  0
    9.1670    0.5430   -1.6900 H   0  0  0  0  0
   11.1560    1.9070   -2.0510 H   0  0  0  0  0
    9.1750    2.9350   -3.1320 H   0  0  0  0  0
    9.3640    4.3780   -2.1070 H   0  0  0  0  0
   10.6110    3.9720   -3.3110 H   0  0  0  0  0
   13.3740    4.9650   -1.4490 H   0  0  0  0  0
  1  2  2  0  0  0
  2  5  1  0  0  0
  2  3  1  0  0  0
  3 57  1  0  0  0
  4  2  1  0  0  0
  4 58  1  0  0  0
  5  6  1  0  0  0
  6 21  1  0  0  0
  6 59  1  0  0  0
  7  6  1  0  0  0
  7  9  1  0  0  0
  7 60  1  0  0  0
  8  7  1  0  0  0
  8 61  1  0  0  0
  9 10  1  0  0  0
  9 20  1  0  0  0
  9 62  1  0  0  0
 10 19  1  0  0  0
 11 10  1  0  0  0
 11 17  2  0  0  0
 12 11  1  0  0  0
 13 12  2  0  0  0
 13 14  1  0  0  0
 13 63  1  0  0  0
 14 15  2  0  0  0
 15 17  1  0  0  0
 15 16  1  0  0  0
 16 64  1  0  0  0
 16 65  1  0  0  0
 17 18  1  0  0  0
 19 18  2  0  0  0
 19 66  1  0  0  0
 21 20  1  0  0  0
 21 22  1  0  0  0
 21 67  1  0  0  0
 22 68  1  0  0  0
 22 69  1  0  0  0
 23 22  1  0  0  0
 23 24  1  0  0  0
 24 27  1  0  0  0
 25 24  2  0  0  0
 26 24  1  0  0  0
 26 70  1  0  0  0
 27 28  1  0  0  0
 28 29  1  0  0  0
 29 71  1  0  0  0
 30 28  2  0  0  0
 31 28  1  0  0  0
 31 32  1  0  0  0
 32 72  1  0  0  0
 32 73  1  0  0  0
 33 35  1  0  0  0
 33 32  1  0  0  0
 33 34  1  0  0  0
 34 74  1  0  0  0
 34 75  1  0  0  0
 34 76  1  0  0  0
 35 77  1  0  0  0
 35 78  1  0  0  0
 35 79  1  0  0  0
 36 33  1  0  0  0
 36 80  1  0  0  0
 37 36  1  0  0  0
 37 81  1  0  0  0
 38 39  2  0  0  0
 38 36  1  0  0  0
 40 38  1  0  0  0
 40 82  1  0  0  0
 41 40  1  0  0  0
 41 42  1  0  0  0
 41 83  1  0  0  0
 41 84  1  0  0  0
 42 85  1  0  0  0
 42 86  1  0  0  0
 43 45  1  0  0  0
 43 42  1  0  0  0
 44 43  2  0  0  0
 45 87  1  0  0  0
 46 45  1  0  0  0
 46 88  1  0  0  0
 46 89  1  0  0  0
 47 46  1  0  0  0
 47 90  1  0  0  0
 47 91  1  0  0  0
 48 49  1  0  0  0
 48 47  1  0  0  0
 48 92  1  0  0  0
 49 50  2  0  0  0
 51 52  1  0  0  0
 51 53  1  0  0  0
 51 49  1  0  0  0
 51 93  1  0  0  0
 52 94  1  0  0  0
 52 95  1  0  0  0
 52 96  1  0  0  0
 53 54  1  0  0  0
 54 97  1  0  0  0
 55 53  2  0  0  0
 56 53  2  0  0  0
M  END
$$$$
