B4N0UX
  -OEChem-04022115093D

 54 57  0     0  0  0  0  0  0999 V2000
    0.7889    4.5894    1.7213 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7003    5.1882    0.8753 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4825    3.2376    1.8109 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8093   -0.7002    0.6214 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0549   -4.8641   -0.1877 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6221    0.5602    0.5840 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8723   -1.6123    0.1876 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3455   -0.7164    0.4242 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9710   -2.4068   -0.7059 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0232    1.8311    0.8326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9757    0.3567    0.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0063   -0.6448    0.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1060   -1.0068    0.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5949    2.4646   -0.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0639    1.2221    0.6177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4607    3.5550   -0.3284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3910   -1.5573    0.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4983   -0.7073    0.2241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3354    0.6575    0.4731 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2459    1.9444   -1.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3046   -1.7886    0.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9776    4.1252   -1.4917 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8488    4.1292    0.9944 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7627    2.5146   -2.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6285    3.6050   -2.7381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8380   -1.2563    0.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6705   -1.5218    0.3606 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8634   -3.0885    0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5951   -2.5549    0.2083 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7879   -4.1217   -0.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1537   -3.8550   -0.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2364   -3.0561   -0.9633 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4360   -4.5220   -0.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7932    1.6505    1.5894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7099    2.5105    1.2799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9461    2.2829    0.8059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4808   -2.6256   -0.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8566    0.1498    0.5835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1996    1.3137    0.5542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4372    1.1134   -1.7925 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6534    4.9749   -1.4521 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4877    2.1131   -3.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0300    4.0494   -3.6442 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274   -0.5130    0.5523 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8119   -3.3394   -0.0611 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6404   -2.2782    0.2933 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4386   -5.1326   -0.3248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1694   -2.7773   -1.2049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0551   -4.1231   -1.1111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6647   -2.6251   -1.8715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9223   -2.9040   -0.1263 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7414   -3.8278   -0.8701 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6807   -4.1469    0.9196 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0094   -5.4435   -0.2248 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 23  1  0  0  0  0
  3 23  1  0  0  0  0
  4 26  2  0  0  0  0
  5 31  1  0  0  0  0
  5 33  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 12  1  0  0  0  0
  8 21  1  0  0  0  0
  8 38  1  0  0  0  0
  9 26  1  0  0  0  0
  9 32  1  0  0  0  0
  9 48  1  0  0  0  0
 10 14  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 13  2  0  0  0  0
 11 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 16  1  0  0  0  0
 14 20  2  0  0  0  0
 15 19  2  0  0  0  0
 15 36  1  0  0  0  0
 16 22  2  0  0  0  0
 16 23  1  0  0  0  0
 17 18  2  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 26  1  0  0  0  0
 19 39  1  0  0  0  0
 20 24  1  0  0  0  0
 20 40  1  0  0  0  0
 21 27  2  0  0  0  0
 21 28  1  0  0  0  0
 22 25  1  0  0  0  0
 22 41  1  0  0  0  0
 24 25  2  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
 27 29  1  0  0  0  0
 27 44  1  0  0  0  0
 28 30  2  0  0  0  0
 28 45  1  0  0  0  0
 29 31  2  0  0  0  0
 29 46  1  0  0  0  0
 30 31  1  0  0  0  0
 30 47  1  0  0  0  0
 32 49  1  0  0  0  0
 32 50  1  0  0  0  0
 32 51  1  0  0  0  0
 33 52  1  0  0  0  0
 33 53  1  0  0  0  0
 33 54  1  0  0  0  0
M  END

$$$$