A1IHW
  CCTOOLS-0807261401

 50 54  0  0  0  0  0  0  0  0999 V2000
    0.6380    1.5490    0.0590 RU  0  0  0  0  0
   -0.1490    1.5470    1.8030 RU  0  0  0  0  0
    1.0440    2.9730    0.4700 O   0  5  0  0  0
    1.7480    0.8310    2.3760 O   0  0  0  0  0
   -0.1240    0.3730    3.4080 O   0  5  0  0  0
    0.3760    2.2100   -1.4790 O   0  0  0  0  0
   -1.2170    3.5120    0.8790 O   0  0  0  0  0
    0.2840    3.0690    3.0890 O   0  0  0  0  0
   -0.7680    0.2860    0.9260 N   0  5  0  0  0
    1.1440    0.0430   -0.3930 N   0  0  0  0  0
    1.1090    0.2520    3.2970 C   0  0  0  0  0
    0.0780   -0.4910    0.1860 C   0  0  0  0  0
    6.3480   -2.3330   -4.0690 N   0  0  0  0  0
    0.9420    3.0830   -0.7910 C   0  0  0  0  0
    1.8410   -0.6080    4.2870 C   0  0  0  0  0
   -2.8790    0.8710    1.9500 C   0  0  0  0  0
    3.1280    0.3870   -1.7380 C   0  0  0  0  0
    4.1860   -0.0830   -2.4910 C   0  0  0  0  0
   -2.0480   -0.1180    1.4320 C   0  0  0  0  0
    2.2190   -0.4940   -1.1620 C   0  0  0  0  0
    1.5310    4.2920   -1.4660 C   0  0  0  0  0
    2.4110   -1.8620   -1.3400 C   0  0  0  0  0
   -2.4970   -1.4390    1.4820 C   0  0  0  0  0
   -3.7380   -1.7520    1.9990 C   0  0  0  0  0
    4.3660   -1.4480   -2.6690 C   0  0  0  0  0
    5.4720   -1.9410   -3.4490 C   0  0  0  0  0
   -6.8810   -1.3360    3.4690 N   0  0  0  0  0
    3.4700   -2.3350   -2.0880 C   0  0  0  0  0
   -4.5610   -0.7520    2.4970 C   0  0  0  0  0
   -4.1220    0.5630    2.4670 C   0  0  0  0  0
   -5.8550   -1.0770    3.0380 C   0  0  0  0  0
   -0.0910   -1.4130    0.0820 H   0  0  0  0  0
    2.7830   -0.6350    4.0620 H   0  0  0  0  0
    1.4810   -1.5080    4.2660 H   0  0  0  0  0
    1.7350   -0.2420    5.1780 H   0  0  0  0  0
   -2.5960    1.7650    1.9360 H   0  0  0  0  0
    3.0120    1.3130   -1.6250 H   0  0  0  0  0
    4.7890    0.5300   -2.8790 H   0  0  0  0  0
    1.9530    4.8610   -0.8050 H   0  0  0  0  0
    0.8300    4.7880   -1.9150 H   0  0  0  0  0
    2.1920    4.0120   -2.1160 H   0  0  0  0  0
    1.8080   -2.4720   -0.9520 H   0  0  0  0  0
   -1.9550   -2.1310    1.1490 H   0  0  0  0  0
   -4.0230   -2.6510    2.0120 H   0  0  0  0  0
    3.5800   -3.2650   -2.2020 H   0  0  0  0  0
   -4.6690    1.2540    2.8020 H   0  0  0  0  0
   -0.0160    2.8910    3.8780 H   0  0  0  0  0
   -1.6850    3.8020    0.2130 H   0  0  0  0  0
   -0.8190    4.1900    1.2370 H   0  0  0  0  0
    1.1390    3.1760    3.1520 H   0  0  0  0  0
  1  2  1  0  0  0
  1  4  1  0  0  0
  1  6  1  0  0  0
  1  7  1  0  0  0
  1 10  1  0  0  0
  2  3  1  0  0  0
  2  5  1  0  0  0
  2  8  1  0  0  0
  2  9  1  0  0  0
  3 14  1  0  0  0
  4 11  2  0  0  0
  5 11  1  0  0  0
  6 14  2  0  0  0
  7 48  1  0  0  0
  8 47  1  0  0  0
  9 12  1  0  0  0
  9 19  1  0  0  0
 10 12  2  0  0  0
 10 20  1  0  0  0
 11 15  1  0  0  0
 12 32  1  0  0  0
 13 26  3  0  0  0
 14 21  1  0  0  0
 15 33  1  0  0  0
 15 34  1  0  0  0
 15 35  1  0  0  0
 16 19  1  0  0  0
 16 30  2  0  0  0
 16 36  1  0  0  0
 17 18  1  0  0  0
 17 20  2  0  0  0
 17 37  1  0  0  0
 18 25  2  0  0  0
 18 38  1  0  0  0
 19 23  2  0  0  0
 20 22  1  0  0  0
 21 39  1  0  0  0
 21 40  1  0  0  0
 21 41  1  0  0  0
 22 28  2  0  0  0
 22 42  1  0  0  0
 23 24  1  0  0  0
 23 43  1  0  0  0
 24 29  2  0  0  0
 24 44  1  0  0  0
 25 26  1  0  0  0
 25 28  1  0  0  0
 27 31  3  0  0  0
 28 45  1  0  0  0
 29 30  1  0  0  0
 29 31  1  0  0  0
 30 46  1  0  0  0
 49  7  1  0  0  0
 50  8  1  0  0  0
M  CHG  1   3  -1
M  CHG  1   5  -1
M  CHG  1   9  -1
M  END
$$$$
