NE5
  CCTOOLS-0410261002

 50 53  0  0  1  0  0  0  0  0999 V2000
    0.8930   -1.9700   -1.7070 C   0  0  0  0  0
    3.0880   -1.0730   -0.8550 C   0  0  0  0  0
    3.8820   -1.6060    0.2720 C   0  0  0  0  0
    6.0120   -2.0430    1.2930 C   0  0  0  0  0
    3.2420   -2.1790    1.3730 C   0  0  0  0  0
    0.6580   -0.5520    0.0910 C   0  0  0  0  0
    0.7570    0.9470   -0.0320 C   0  0  0  0  0
    1.6140    3.0390    0.7560 C   0  0  0  0  0
   -5.5620   -1.3320   -0.0840 C   0  0  0  0  0
   -4.2860   -0.7970    0.4250 C   0  0  0  0  0
   -3.0810   -1.1590   -0.1820 C   0  0  0  0  0
   -1.8870   -0.6510    0.3020 C   0  0  0  0  0
   -0.5370   -1.8380   -1.3580 C   0  0  0  0  0
    1.6300   -1.2170   -0.8560 C   0  0  0  0  0
    5.2770   -1.5440    0.2390 C   0  0  0  0  0
    5.3710   -2.6040    2.3840 C   0  0  0  0  0
    3.9890   -2.6750    2.4210 C   0  0  0  0  0
    1.5230    1.6640    0.8680 C   0  0  0  0  0
    0.9410    3.6960   -0.2570 C   0  0  0  0  0
    0.1800    2.9780   -1.1610 C   0  0  0  0  0
    0.0890    1.6030   -1.0480 C   0  0  0  0  0
   -1.8850    0.2160    1.3890 C   0  0  0  0  0
   -3.0720    0.5780    1.9940 C   0  0  0  0  0
   -4.2770    0.0820    1.5170 C   0  0  0  0  0
   -0.6790   -1.0120   -0.3050 N   0  0  0  0  0
    1.0380    5.1680   -0.3770 N   0  3  0  0  0
   -6.6080   -1.0150    0.4460 O   0  0  0  0  0
   -5.5670   -2.1730   -1.1370 O   0  0  0  0  0
   -1.4500   -2.3920   -1.9370 O   0  0  0  0  0
    1.3870   -2.7280   -2.7120 O   0  0  0  0  0
    3.6450   -0.5150   -1.7820 O   0  0  0  0  0
    0.4450    5.7470   -1.2690 O   0  0  0  0  0
    1.7120    5.8010    0.4170 O   0  5  0  0  0
   -5.4420    0.4400    2.1130 O   0  0  0  0  0
    7.0910   -1.9960    1.2690 H   0  0  0  0  0
    2.1640   -2.2340    1.4030 H   0  0  0  0  0
    0.8640   -0.8580    1.1160 H   0  0  0  0  0
    2.2120    3.6000    1.4600 H   0  0  0  0  0
   -3.0810   -1.8330   -1.0250 H   0  0  0  0  0
    5.7790   -1.1060   -0.6120 H   0  0  0  0  0
    5.9510   -2.9940    3.2070 H   0  0  0  0  0
    3.4950   -3.1180    3.2730 H   0  0  0  0  0
    2.0480    1.1510    1.6600 H   0  0  0  0  0
   -0.3420    3.4910   -1.9550 H   0  0  0  0  0
   -0.5050    1.0420   -1.7540 H   0  0  0  0  0
   -0.9510    0.6090    1.7630 H   0  0  0  0  0
   -3.0630    1.2520    2.8380 H   0  0  0  0  0
   -6.4280   -2.4980   -1.4340 H   0  0  0  0  0
    0.7120   -3.2000   -3.2180 H   0  0  0  0  0
   -5.8480    1.2340    1.7390 H   0  0  0  0  0
  1 14  2  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  2  0  0  0
  3 15  2  0  0  0
  4 35  1  0  0  0
  5 17  2  0  0  0
  5  3  1  0  0  0
  5 36  1  0  0  0
  6 14  1  0  0  0
  6 37  1  0  0  0
  7  6  1  0  0  0
  7 18  2  0  0  0
  8 18  1  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 39  1  0  0  0
 12 25  1  0  0  0
 13  1  1  0  0  0
 14  2  1  0  0  0
 15  4  1  0  0  0
 15 40  1  0  0  0
 16  4  2  0  0  0
 16 41  1  0  0  0
 17 16  1  0  0  0
 17 42  1  0  0  0
 18 43  1  0  0  0
 19  8  2  0  0  0
 20 21  2  0  0  0
 20 19  1  0  0  0
 20 44  1  0  0  0
 21  7  1  0  0  0
 21 45  1  0  0  0
 22 12  2  0  0  0
 22 46  1  0  0  0
 23 22  1  0  0  0
 23 47  1  0  0  0
 24 23  2  0  0  0
 24 10  1  0  0  0
 25 13  1  0  0  0
 25  6  1  0  0  0
 26 19  1  0  0  0
 26 33  1  0  0  0
 27  9  2  0  0  0
 28 48  1  0  0  0
 29 13  2  0  0  0
 30 49  1  0  0  0
 32 26  2  0  0  0
 34 24  1  0  0  0
 34 50  1  0  0  0
M  CHG  1  26   1
M  CHG  1  33  -1
M  END
$$$$
