B42WJY
  -OEChem-04042101433D

 58 62  0     0  0  0  0  0  0999 V2000
    8.8869   -1.4649    2.7240 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2348    0.8903   -1.0677 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1644    1.8855   -2.3312 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1198    0.1850    2.4787 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3920    1.7503   -0.2589 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8814    1.4120   -2.2565 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3590    0.1055   -1.3898 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3740   -0.5169   -1.4803 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2095   -0.3154   -0.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9148   -0.8500   -2.3948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6502    0.5267    0.5772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8410   -1.7946   -1.8646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7710   -1.6526   -0.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4231   -1.0552   -1.4137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2592    1.9271    0.6023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5725   -1.5885    1.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9164    1.4463   -1.4622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3998    2.3846   -0.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5326   -0.2224    1.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5005   -2.0382   -0.9445 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7519   -1.3397   -0.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6632   -2.8764   -0.7836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6961    2.8307    1.5786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2673   -2.6627    1.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9877    3.7240   -0.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3533   -3.9881   -0.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1496   -3.8820    0.8735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2839    4.1649    1.5473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4314    4.6107    0.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5099    0.2435   -0.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7231   -0.1631   -0.5835 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3032    0.1407    1.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7296   -0.6726    0.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3096   -0.3690    2.1678 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5227   -0.7756    1.6124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7793   -1.3664   -2.8209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4887   -0.2991   -3.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5806   -2.5045   -2.6592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1789   -2.3847   -1.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1879   -0.3720   -0.5897 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8035   -0.4488   -2.2439 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7721   -2.6999   -1.7765 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0960   -2.6742   -0.1479 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4762   -2.0924   -0.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4833   -0.7191    0.4387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1063   -3.0421   -1.6936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3610    2.5239    2.3800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8796   -2.5659    2.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3225    4.0952   -1.2122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2765   -4.9451   -0.7854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6763   -4.7551    1.2478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6299    4.8561    2.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6392   -1.0189   -2.3369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1124    5.6486    0.5197 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9030   -0.0985   -1.6528 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3656    0.4493    1.8007 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6687   -0.9865   -0.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1323   -0.4430    3.2376 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 35  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  2  0  0  0  0
  2  8  1  0  0  0  0
  2 30  1  0  0  0  0
  3 17  2  0  0  0  0
  4 19  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 17  1  0  0  0  0
  8 21  1  0  0  0  0
  8 53  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 15  1  0  0  0  0
 11 19  1  0  0  0  0
 12 14  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 16  1  0  0  0  0
 13 22  2  0  0  0  0
 14 20  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 18  1  0  0  0  0
 15 23  2  0  0  0  0
 16 19  1  0  0  0  0
 16 24  2  0  0  0  0
 17 18  1  0  0  0  0
 18 25  2  0  0  0  0
 20 21  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 26  1  0  0  0  0
 22 46  1  0  0  0  0
 23 28  1  0  0  0  0
 23 47  1  0  0  0  0
 24 27  1  0  0  0  0
 24 48  1  0  0  0  0
 25 29  1  0  0  0  0
 25 49  1  0  0  0  0
 26 27  2  0  0  0  0
 26 50  1  0  0  0  0
 27 51  1  0  0  0  0
 28 29  2  0  0  0  0
 28 52  1  0  0  0  0
 29 54  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 55  1  0  0  0  0
 32 34  2  0  0  0  0
 32 56  1  0  0  0  0
 33 35  2  0  0  0  0
 33 57  1  0  0  0  0
 34 35  1  0  0  0  0
 34 58  1  0  0  0  0
M  END

$$$$