BBNW58
  -OEChem-04022105233D

 44 47  0     1  0  0  0  0  0999 V2000
   -2.4843    0.3920    1.1354 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2939    2.3917    0.6386 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9215    0.0430   -0.0835 N   0  3  1  0  0  0  0  0  0  0  0  0
   -0.3643   -0.0056    0.0029 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0431   -1.0750    1.0507 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0934    1.3965    0.5137 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5814   -1.0989    1.1733 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2967   -0.3795   -1.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5553   -2.4578    0.7270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8207   -0.5959   -1.3390 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2591   -1.4707   -0.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4905   -1.3101   -0.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3494    1.0909   -1.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0876    0.2549    1.6975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3089    2.5071   -0.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0696   -2.3885    0.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5707    1.4266    0.8844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8119    2.4798   -0.7475 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090   -1.2003   -2.6588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3617   -0.7868    2.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4116    1.6163    1.4658 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8651   -1.8605    1.9116 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0840    0.3784   -2.1352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1542   -1.2950   -1.7702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3226   -3.1565    1.5397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1170   -2.8876   -0.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3105    0.3802   -1.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0501   -2.5239   -0.3819 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3494   -1.4087   -0.0461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1819   -1.5433   -1.4721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5812   -1.1957   -0.4435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    1.0969   -1.0826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0200    0.7560   -2.0796 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1830    0.2783    1.6951 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7548    0.4057    2.7312 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2533    2.4265   -1.4008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0457    3.4871   -0.0463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4447   -3.3619    0.2082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5354   -2.1942    1.5179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3379    2.8547    0.1396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0459    3.1757   -1.5611 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8695   -2.1884   -2.8327 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3986   -1.3103   -2.6547 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0399   -0.5566   -3.5029 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2 17  2  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 20  1  0  0  0  0
  6 15  1  0  0  0  0
  6 17  1  0  0  0  0
  6 21  1  0  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  7 22  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 16  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 16  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 18  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 17  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 18  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
M  CHG  2   1  -1   3   1
M  END

$$$$