BY50VQ
  -OEChem-04042101463D

 49 52  0     1  0  0  0  0  0999 V2000
   -2.9530   -0.3711   -0.6775 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7285   -0.5882    1.6969 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0223    1.6006    1.7503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7211    3.5892    0.4712 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2310    2.5034   -0.3561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1431   -1.5008   -1.8525 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1305    2.6838    0.5865 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1162   -0.1280    0.4590 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7819    1.3658    0.5657 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0597    2.2073    0.6049 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9875    1.8347   -0.5531 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2049    0.3189   -0.6211 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9190   -1.0152    0.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0257   -2.0673    1.2238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2824   -1.9299    1.9955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9962   -0.0927   -1.8594 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1618   -0.9261   -0.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0640   -3.0598    1.2933 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1460   -1.9149   -0.4763 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0336   -2.9758    0.4352 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3245   -1.8470   -1.3893 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3808   -0.8513   -0.9551 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1985    0.5099   -1.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5353   -1.2958   -0.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1708    1.4265   -0.8000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5077   -0.3791    0.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3255    0.9820   -0.1556 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3215    1.9211    0.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1724    1.6948   -0.2857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5665    2.1086    1.5718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5651    2.2016   -1.4966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7584   -0.0343    0.2590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0451   -2.6384    1.6593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1266   -2.0119    3.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4598    0.1824   -2.7737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9891    0.3670   -1.8702 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2210   -0.1150   -1.2579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1651    1.1537    1.6487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1554   -3.8825    1.9941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2518    3.7061   -0.3723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6298    2.1607    0.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7997   -3.7458    0.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9891   -1.5915   -2.4042 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -2.8409   -1.4999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6456   -1.7409   -2.6496 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3137    0.8739   -1.7135 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6885   -2.3532   -0.1126 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0161    2.4840   -1.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4022   -0.7409    0.5903 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  2  8  1  0  0  0  0
  2 15  1  0  0  0  0
  3  9  1  0  0  0  0
  3 38  1  0  0  0  0
  4 10  1  0  0  0  0
  4 40  1  0  0  0  0
  5 11  1  0  0  0  0
  5 41  1  0  0  0  0
  6 16  1  0  0  0  0
  6 45  1  0  0  0  0
  7 28  3  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 12 16  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 19  2  0  0  0  0
 17 37  1  0  0  0  0
 18 20  2  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 46  1  0  0  0  0
 24 26  2  0  0  0  0
 24 47  1  0  0  0  0
 25 27  2  0  0  0  0
 25 48  1  0  0  0  0
 26 27  1  0  0  0  0
 26 49  1  0  0  0  0
 27 28  1  0  0  0  0
M  END

$$$$