S94
  CCTOOLS-0919241028

 49 52  0  0  1  0  0  0  0  0999 V2000
    7.6240    1.3540    1.0540 C   0  0  0  0  0
   -7.8540    0.1670    0.6150 C   0  0  0  0  0
    7.3980   -0.0030    0.9190 C   0  0  0  0  0
    6.7360    2.2610    0.5050 C   0  0  0  0  0
   -6.8730   -0.8060    0.6610 C   0  0  0  0  0
   -7.5440    1.4460    0.1910 C   0  0  0  0  0
    6.2870   -0.4540    0.2310 C   0  0  0  0  0
    5.6220    1.8100   -0.1780 C   0  0  0  0  0
   -5.5780   -0.5010    0.2900 C   0  0  0  0  0
   -6.2500    1.7560   -0.1810 C   0  0  0  0  0
    5.4020    0.4530   -0.3220 C   0  0  0  0  0
   -5.2630    0.7840   -0.1300 C   0  0  0  0  0
    0.8410   -1.0960    0.2950 C   0  0  0  0  0
   -1.8830    0.3470   -1.4240 C   0  0  0  0  0
   -2.4950   -0.1440    0.9500 C   0  0  0  0  0
    4.1020   -1.5360   -1.3690 C   0  0  0  0  0
   -0.8810   -0.8110   -1.4210 C   0  0  0  0  0
   -1.5000   -1.3090    0.9800 C   0  0  0  0  0
    4.1870   -0.0390   -1.0670 C   0  0  0  0  0
    3.1970   -0.9180   -0.3010 C   0  0  0  0  0
   -3.0360    0.0220   -0.4710 C   0  0  0  0  0
   -0.4650   -1.0730   -0.0360 N   0  0  0  0  0
    1.7750   -0.7720   -0.6210 N   0  0  0  0  0
    1.1770   -1.4100    1.4210 O   0  0  0  0  0
   -3.9890    1.0870   -0.4960 O   0  0  0  0  0
    8.4920    1.7060    1.5910 H   0  0  0  0  0
   -8.8660   -0.0740    0.9060 H   0  0  0  0  0
    8.0900   -0.7110    1.3510 H   0  0  0  0  0
    6.9120    3.3210    0.6110 H   0  0  0  0  0
   -7.1190   -1.8050    0.9890 H   0  0  0  0  0
   -8.3130    2.2030    0.1520 H   0  0  0  0  0
    6.1110   -1.5140    0.1250 H   0  0  0  0  0
    4.9280    2.5180   -0.6060 H   0  0  0  0  0
   -4.8120   -1.2610    0.3260 H   0  0  0  0  0
   -6.0090    2.7550   -0.5120 H   0  0  0  0  0
   -1.3860    1.2600   -1.0940 H   0  0  0  0  0
   -2.2730    0.4890   -2.4320 H   0  0  0  0  0
   -3.3190   -0.3530    1.6320 H   0  0  0  0  0
   -1.9920    0.7730    1.2580 H   0  0  0  0  0
    3.6390   -1.8340   -2.3090 H   0  0  0  0  0
    4.9240   -2.1660   -1.0290 H   0  0  0  0  0
   -1.3520   -1.7030   -1.8350 H   0  0  0  0  0
   -0.0120   -0.5440   -2.0220 H   0  0  0  0  0
   -1.0370   -1.3690    1.9650 H   0  0  0  0  0
   -2.0210   -2.2410    0.7640 H   0  0  0  0  0
    3.7810    0.6480   -1.8090 H   0  0  0  0  0
    3.4240   -1.1410    0.7420 H   0  0  0  0  0
   -3.5180   -0.9040   -0.7870 H   0  0  0  0  0
    1.5050   -0.4420   -1.4920 H   0  0  0  0  0
  1  3  2  0  0  0
  1 26  1  0  0  0
  2 27  1  0  0  0
  3  7  1  0  0  0
  3 28  1  0  0  0
  4  8  2  0  0  0
  4  1  1  0  0  0
  4 29  1  0  0  0
  5  2  2  0  0  0
  5 30  1  0  0  0
  6  2  1  0  0  0
  6 31  1  0  0  0
  7 32  1  0  0  0
  8 11  1  0  0  0
  8 33  1  0  0  0
  9  5  1  0  0  0
  9 34  1  0  0  0
 10  6  2  0  0  0
 10 35  1  0  0  0
 11 19  1  0  0  0
 11  7  2  0  0  0
 12  9  2  0  0  0
 12 10  1  0  0  0
 13 22  1  0  0  0
 14 21  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
 15 21  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
 16 20  1  0  0  0
 16 40  1  0  0  0
 16 41  1  0  0  0
 17 14  1  0  0  0
 17 42  1  0  0  0
 17 43  1  0  0  0
 18 15  1  0  0  0
 18 44  1  0  0  0
 18 45  1  0  0  0
 19 16  1  0  0  0
 19 20  1  0  0  0
 19 46  1  0  0  0
 20 23  1  0  0  0
 20 47  1  0  0  0
 21 25  1  0  0  0
 21 48  1  0  0  0
 22 18  1  0  0  0
 22 17  1  0  0  0
 23 13  1  0  0  0
 23 49  1  0  0  0
 24 13  2  0  0  0
 25 12  1  0  0  0
M  END
$$$$
