BX30LM
  -OEChem-04012115023D

 51 53  0     1  0  0  0  0  0999 V2000
   -2.3919   -2.6414    0.7322 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.6084   -1.0518   -1.3603 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1427   -0.0496    0.2016 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4791   -2.4374   -1.7691 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.0561   -2.2818 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7111    3.6116   -0.6135 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3360    3.2378    0.4336 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1059   -1.9425   -0.1174 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4806   -0.9710    0.0995 N   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6722    0.9510    0.4372 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8328    0.3839    0.6310 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9876    0.1585    2.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9983   -1.8104    1.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9014   -0.8589    2.4219 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1085    0.8973   -0.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0192   -0.5068   -0.8124 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7082    0.8535   -0.8465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5471    1.2159   -0.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4859    0.2962    0.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0819   -1.4506   -0.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1858   -1.0529    0.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8374    0.2877    0.9585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1685    2.5345   -0.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5691    2.3181    0.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8019   -0.1511   -0.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3699    0.3741   -0.3789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0494   -0.8379    0.4179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9775   -1.3017   -0.6964 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0209    1.0962    0.4686 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8557    1.0819    2.7058 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9645   -0.2645    2.3951 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7703   -2.5663    1.4268 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0677   -2.3455    1.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0404   -1.3686    3.3793 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9202   -0.3693    2.4335 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9785    1.0603   -1.0854 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3903    1.8539    0.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4059    1.6012   -1.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3492   -2.5053   -0.3524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3775    1.0535    1.5354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5965   -0.4481    1.7220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3050   -0.8079   -0.8605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1112    0.7315   -0.7150 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1261   -0.3898   -0.1795 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6995    1.3173    0.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2630    0.4856   -1.4622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5915   -0.1552    1.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7691   -1.6985    1.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4719   -2.0162   -1.3537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3262   -0.4529   -1.2931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6790   -2.2272   -0.8496 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  9  1  0  0  0  0
  2 16  1  0  0  0  0
  3 15  1  0  0  0  0
  3 26  1  0  0  0  0
  6 23  2  0  0  0  0
  7 24  2  0  0  0  0
  8 28  1  0  0  0  0
  8 51  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 19  1  0  0  0  0
 10 22  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 29  1  0  0  0  0
 12 14  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 20 39  1  0  0  0  0
 22 25  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 24  1  0  0  0  0
 25 27  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
 27 28  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
M  END

$$$$