XKB
  CCTOOLS-0919241035

 60 65  0  0  1  0  0  0  0  0999 V2000
    7.0830    0.3220   -0.6360 C   0  0  0  0  0
    4.8100    0.4170   -0.1730 C   0  0  0  0  0
    4.8990    1.7720    0.1540 C   0  0  0  0  0
    6.2100    2.4140    0.0640 C   0  0  0  0  0
    6.6490    3.6350    0.2910 N   0  0  0  0  0
   -2.6410   -1.5440    0.0520 C   0  0  0  0  0
   -3.5660   -1.0270   -0.7820 N   0  0  0  0  0
   -1.3810   -1.7410   -0.3800 O   0  0  0  0  0
   -0.4380   -2.3010    0.5720 C   0  0  0  0  0
    0.9310   -2.4520   -0.0950 C   0  0  0  0  0
    1.4750   -1.1550   -0.3920 O   0  0  0  0  0
    1.9080   -3.1530    0.8680 C   0  0  0  0  0
    2.3860   -4.3720    0.2960 O   0  0  0  0  0
    3.0680   -2.1410    1.0350 C   0  0  0  0  0
    4.3320   -2.8090    1.0320 O   0  0  0  0  0
    2.9070   -1.2510   -0.2290 C   0  0  0  0  0
    3.4920    0.0730   -0.0060 N   0  0  0  0  0
    2.8280    1.1890    0.4060 C   0  0  0  0  0
    3.6600    2.1870    0.4990 N   0  0  0  0  0
    7.2750    1.6420   -0.3370 N   0  0  0  0  0
    5.9070   -0.2510   -0.5550 N   0  0  0  0  0
    7.9650    3.6830    0.0470 C   0  0  0  0  0
    8.3770    2.4600   -0.3420 C   0  0  0  0  0
   -2.9440   -1.8310    1.1920 O   0  0  0  0  0
   -4.9370   -0.8130   -0.3120 C   0  0  0  0  0
   -5.7770   -0.2220   -1.4460 C   0  0  0  0  0
   -7.1880   -0.0010   -0.9620 C   0  0  0  0  0
   -8.2220   -0.8440   -1.1060 C   0  0  0  0  0
   -9.3450   -0.3040   -0.5410 N   0  0  0  0  0
   -9.0540    0.9310   -0.0060 C   0  0  0  0  0
   -7.6880    1.1720   -0.2410 C   0  0  0  0  0
   -7.1040    2.3610    0.2020 C   0  0  0  0  0
   -7.8630    3.2830    0.8660 C   0  0  0  0  0
   -9.2100    3.0470    1.1040 C   0  0  0  0  0
   -9.8090    1.8850    0.6670 C   0  0  0  0  0
    8.1610   -0.4310   -1.0410 N   0  0  0  0  0
   -3.3230   -0.7980   -1.6930 H   0  0  0  0  0
   -0.3520   -1.6370    1.4310 H   0  0  0  0  0
   -0.7910   -3.2780    0.9010 H   0  0  0  0  0
    0.8340   -3.0320   -1.0130 H   0  0  0  0  0
    1.4270   -3.3450    1.8270 H   0  0  0  0  0
    3.0060   -4.8550    0.8600 H   0  0  0  0  0
    2.9440   -1.5520    1.9430 H   0  0  0  0  0
    4.4430   -3.4430    1.7530 H   0  0  0  0  0
    3.3590   -1.7310   -1.0970 H   0  0  0  0  0
    1.7710    1.2390    0.6230 H   0  0  0  0  0
    8.5930    4.5560    0.1480 H   0  0  0  0  0
    9.3840    2.1760   -0.6090 H   0  0  0  0  0
   -5.3660   -1.7640    0.0010 H   0  0  0  0  0
   -4.9270   -0.1230    0.5320 H   0  0  0  0  0
   -5.3470    0.7300   -1.7590 H   0  0  0  0  0
   -5.7860   -0.9120   -2.2890 H   0  0  0  0  0
   -8.1750   -1.8050   -1.5950 H   0  0  0  0  0
  -10.2180   -0.7280   -0.5200 H   0  0  0  0  0
   -6.0560    2.5500    0.0210 H   0  0  0  0  0
   -7.4110    4.2010    1.2090 H   0  0  0  0  0
   -9.7970    3.7860    1.6300 H   0  0  0  0  0
  -10.8570    1.7110    0.8590 H   0  0  0  0  0
    8.0430   -1.3680   -1.2610 H   0  0  0  0  0
    9.0390   -0.0240   -1.1070 H   0  0  0  0  0
  1 21  2  0  0  0
  2 17  1  0  0  0
  3 19  1  0  0  0
  3  2  2  0  0  0
  4  3  1  0  0  0
  5  4  2  0  0  0
  6  7  1  0  0  0
  7 25  1  0  0  0
  7 37  1  0  0  0
  8  6  1  0  0  0
  9  8  1  0  0  0
  9 38  1  0  0  0
  9 39  1  0  0  0
 10  9  1  0  0  0
 10 40  1  0  0  0
 11 10  1  0  0  0
 12 10  1  0  0  0
 12 13  1  0  0  0
 12 41  1  0  0  0
 13 42  1  0  0  0
 14 12  1  0  0  0
 14 43  1  0  0  0
 15 14  1  0  0  0
 15 44  1  0  0  0
 16 14  1  0  0  0
 16 11  1  0  0  0
 16 45  1  0  0  0
 17 16  1  0  0  0
 18 17  1  0  0  0
 18 46  1  0  0  0
 19 18  2  0  0  0
 20  4  1  0  0  0
 20  1  1  0  0  0
 21  2  1  0  0  0
 22 23  2  0  0  0
 22  5  1  0  0  0
 22 47  1  0  0  0
 23 20  1  0  0  0
 23 48  1  0  0  0
 24  6  2  0  0  0
 25 49  1  0  0  0
 25 50  1  0  0  0
 26 27  1  0  0  0
 26 25  1  0  0  0
 26 51  1  0  0  0
 26 52  1  0  0  0
 27 31  1  0  0  0
 28 29  1  0  0  0
 28 27  2  0  0  0
 28 53  1  0  0  0
 29 30  1  0  0  0
 29 54  1  0  0  0
 30 31  2  0  0  0
 30 35  1  0  0  0
 31 32  1  0  0  0
 32 33  2  0  0  0
 32 55  1  0  0  0
 33 56  1  0  0  0
 34 33  1  0  0  0
 34 57  1  0  0  0
 35 34  2  0  0  0
 35 58  1  0  0  0
 36  1  1  0  0  0
 36 59  1  0  0  0
 36 60  1  0  0  0
M  END
$$$$
