A1EQF
  CCTOOLS-0807261401

 52 55  0  0  1  0  0  0  0  0999 V2000
   -6.0820   -0.3310    1.0910 C   0  0  0  0  0
   -6.9330   -1.5010    0.6980 C   0  0  0  0  0
   -6.6190   -1.7490   -0.7620 C   0  0  0  0  0
   -5.5500   -0.7560   -1.1090 C   0  0  0  0  0
   -2.9520    0.6150    0.5590 C   0  0  0  0  0
    1.4140   -0.3660   -0.8160 MN  0  0  0  0  0
   -4.2970    1.1060    0.0460 C   0  0  0  0  0
   -6.0640    0.2220    2.1970 O   0  0  0  0  0
   -4.9810   -0.6480   -2.2020 O   0  0  0  0  0
   -5.2960    0.0260    0.0070 N   0  0  0  0  0
   -1.9200    1.6650    0.4380 N   0  0  0  0  0
   -0.5060    1.2410    0.4670 C   0  0  0  0  0
   -0.1780    0.6810   -0.8010 O   0  5  0  0  0
    0.4620    2.3600    0.8040 C   0  0  0  0  0
    1.8930    1.8690    0.8410 N   0  0  0  0  0
    2.5330    1.7430    2.1860 C   0  0  0  0  0
    2.9490    0.3340    2.6080 C   0  0  0  0  0
    2.6680   -0.7470    1.6270 N   0  0  0  0  0
    1.5440   -1.6510    2.0010 C   0  0  0  0  0
    0.9400   -2.4280    0.8320 C   0  0  0  0  0
    1.0570   -3.6720    0.8510 O   0  0  0  0  0
    0.3700   -1.7690   -0.0640 O   0  5  0  0  0
    3.8390   -1.4210    0.9910 C   0  0  0  0  0
    3.8880   -1.2280   -0.5170 C   0  0  0  0  0
    4.9440   -0.7700   -1.0030 O   0  0  0  0  0
    2.8680   -1.5430   -1.1670 O   0  5  0  0  0
    2.7760    2.3850   -0.2170 C   0  0  0  0  0
    2.3310    2.0380   -1.6390 C   0  0  0  0  0
    1.9860    2.9870   -2.3750 O   0  0  0  0  0
    2.3400    0.8330   -1.9700 O   0  5  0  0  0
   -7.8760   -1.2940    0.8180 H   0  0  0  0  0
   -6.7120   -2.2810    1.2360 H   0  0  0  0  0
   -7.4080   -1.6100   -1.3140 H   0  0  0  0  0
   -6.2990   -2.6580   -0.8970 H   0  0  0  0  0
   -2.6840   -0.1790    0.0470 H   0  0  0  0  0
   -3.0390    0.3540    1.5000 H   0  0  0  0  0
   -4.1810    1.4780   -0.8570 H   0  0  0  0  0
   -4.6200    1.8280    0.6290 H   0  0  0  0  0
   -2.0850    2.2700    1.0750 H   0  0  0  0  0
   -0.3990    0.5270    1.1290 H   0  0  0  0  0
    0.2140    2.7440    1.6770 H   0  0  0  0  0
    0.3700    3.0770    0.1330 H   0  0  0  0  0
    1.9220    2.0860    2.8710 H   0  0  0  0  0
    3.3330    2.3120    2.2160 H   0  0  0  0  0
    2.4940    0.1290    3.4540 H   0  0  0  0  0
    3.9090    0.3550    2.8080 H   0  0  0  0  0
    0.8290   -1.1240    2.4120 H   0  0  0  0  0
    1.8600   -2.2890    2.6730 H   0  0  0  0  0
    3.8110   -2.3800    1.1810 H   0  0  0  0  0
    4.6720   -1.0780    1.3720 H   0  0  0  0  0
    3.6780    2.0270   -0.0880 H   0  0  0  0  0
    2.8330    3.3580   -0.1340 H   0  0  0  0  0
  1  2  1  0  0  0
  1  8  2  0  0  0
  1 10  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  9  2  0  0  0
  4 10  1  0  0  0
  5  7  1  0  0  0
  5 11  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6 13  1  0  0  0
  6 22  1  0  0  0
  6 26  1  0  0  0
  6 30  1  0  0  0
  7 10  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
 11 12  1  0  0  0
 11 39  1  0  0  0
 12 13  1  0  0  0
 12 14  1  0  0  0
 12 40  1  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 14 42  1  0  0  0
 15 16  1  0  0  0
 15 27  1  0  0  0
 16 17  1  0  0  0
 16 43  1  0  0  0
 16 44  1  0  0  0
 17 18  1  0  0  0
 17 45  1  0  0  0
 17 46  1  0  0  0
 18 19  1  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 47  1  0  0  0
 19 48  1  0  0  0
 20 21  2  0  0  0
 20 22  1  0  0  0
 23 24  1  0  0  0
 23 49  1  0  0  0
 23 50  1  0  0  0
 24 25  2  0  0  0
 24 26  1  0  0  0
 27 28  1  0  0  0
 27 51  1  0  0  0
 27 52  1  0  0  0
 28 29  2  0  0  0
 28 30  1  0  0  0
M  CHG  1  13  -1
M  CHG  1  22  -1
M  CHG  1  26  -1
M  CHG  1  30  -1
M  END
$$$$
