TCR
  CCTOOLS-0821261018

 28 30  0  0  1  0  0  0  0  0999 V2000
   -2.0890    1.3660    0.3320 N   0  0  0  0  0
   -2.1670    0.0680   -0.3520 C   0  0  0  0  0
   -1.0090   -0.8260    0.1140 C   0  0  0  0  0
    0.2650   -0.0240    0.0240 C   0  0  0  0  0
    1.6370   -0.4770    0.0520 C   0  0  0  0  0
    2.4360    0.6900   -0.0700 C   0  0  0  0  0
    2.2190   -1.7430    0.1670 C   0  0  0  0  0
    0.2910    1.3220   -0.1040 C   0  0  0  0  0
    1.5870    1.7570   -0.1630 N   0  0  0  0  0
    3.8260    0.6010   -0.0770 C   0  0  0  0  0
    3.5910   -1.8010    0.1570 C   0  0  0  0  0
    4.3740   -0.6640    0.0390 C   0  0  0  0  0
   -0.9590    2.1680   -0.1650 C   0  0  0  0  0
   -3.4780   -0.5970   -0.0230 C   0  0  0  0  0
   -3.9560   -1.5700   -0.8140 O   0  0  0  0  0
   -4.1010   -0.2530    0.9550 O   0  0  0  0  0
   -2.9570    1.8730    0.2460 H   0  0  0  0  0
   -2.0970    0.2200   -1.4290 H   0  0  0  0  0
   -1.1760   -1.1370    1.1450 H   0  0  0  0  0
   -0.9390   -1.7030   -0.5290 H   0  0  0  0  0
    1.6170   -2.6350    0.2600 H   0  0  0  0  0
    1.8620    2.6820   -0.2560 H   0  0  0  0  0
    4.4480    1.4800   -0.1690 H   0  0  0  0  0
    4.0740   -2.7620    0.2450 H   0  0  0  0  0
    5.4490   -0.7700    0.0370 H   0  0  0  0  0
   -1.1490    2.4690   -1.1950 H   0  0  0  0  0
   -0.8340    3.0520    0.4610 H   0  0  0  0  0
   -4.8010   -1.9660   -0.5620 H   0  0  0  0  0
  1  2  1  0  0  0
  1 13  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2 14  1  0  0  0
  2 18  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  4  5  1  0  0  0
  4  8  2  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6  9  1  0  0  0
  6 10  1  0  0  0
  7 11  2  0  0  0
  7 21  1  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  9 22  1  0  0  0
 10 12  2  0  0  0
 10 23  1  0  0  0
 11 12  1  0  0  0
 11 24  1  0  0  0
 12 25  1  0  0  0
 13 26  1  0  0  0
 13 27  1  0  0  0
 14 15  1  0  0  0
 14 16  2  0  0  0
 15 28  1  0  0  0
M  END
$$$$
