CJI
  CCTOOLS-0807261402

 29 30  0  0  0  0  0  0  0  0999 V2000
    2.3800    1.2290   -2.2320 O   0  0  0  0  0
    1.0810    0.8150   -0.3780 RH  0  0  0  0  0
    1.1760   -1.4780   -0.7560 O   0  0  0  0  0
    0.9680    3.0720    0.0230 O   0  0  0  0  0
    5.2850    0.9950   -1.9170 O   0  0  0  0  0
    3.4570    0.5270   -0.6040 RH  0  0  0  0  0
    3.1550   -1.4420   -1.7350 O   0  5  0  0  0
    3.7660    2.4950    0.5260 O   0  0  0  0  0
    1.9420   -1.7460   -1.7090 C   0  0  0  0  0
    1.3770   -2.4820   -2.8920 C   0  0  0  0  0
   -0.1330    0.4490    1.2910 N   0  5  0  0  0
   -0.9080    0.3910    3.3820 N   0  0  0  0  0
    0.0910    0.8060    2.5740 C   0  0  0  0  0
   -1.7930   -0.2520    2.5620 C   0  0  0  0  0
   -1.3270   -0.2170    1.3060 C   0  0  0  0  0
    1.8810    1.2400   -2.9360 H   0  0  0  0  0
    0.1720    3.3560   -0.1520 H   0  0  0  0  0
    5.0390    1.4690   -2.5950 H   0  0  0  0  0
    3.1140    2.6150    1.0780 H   0  0  0  0  0
    0.4400   -2.6770   -2.7390 H   0  0  0  0  0
    1.8600   -3.3120   -3.0200 H   0  0  0  0  0
    1.4640   -1.9350   -3.6870 H   0  0  0  0  0
    0.8470    1.2820    2.8670 H   0  0  0  0  0
   -2.5990   -0.6540    2.8370 H   0  0  0  0  0
   -1.7520   -0.5900    0.5530 H   0  0  0  0  0
    2.7420    2.0090   -2.1610 H   0  0  0  0  0
    4.4920    2.4490    0.9900 H   0  0  0  0  0
    1.5120    3.4850   -0.5040 H   0  0  0  0  0
    5.8510    1.4650   -1.4660 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2 11  1  0  0  0
  2  6  1  0  0  0
  3  9  2  0  0  0
  4 17  1  0  0  0
  5  6  1  0  0  0
  5 18  1  0  0  0
  6  7  1  0  0  0
  6  8  1  0  0  0
  7  9  1  0  0  0
  8 19  1  0  0  0
  9 10  1  0  0  0
 10 20  1  0  0  0
 10 21  1  0  0  0
 10 22  1  0  0  0
 11 13  1  0  0  0
 11 15  1  0  0  0
 12 13  2  0  0  0
 12 14  1  0  0  0
 13 23  1  0  0  0
 14 15  2  0  0  0
 14 24  1  0  0  0
 15 25  1  0  0  0
 26  1  1  0  0  0
 27  8  1  0  0  0
 28  4  1  0  0  0
 29  5  1  0  0  0
M  CHG  1   7  -1
M  CHG  1  11  -1
M  END
$$$$
