REMARK  Name = BDB034016
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.308   2.413  -0.613  0.00  0.00    +0.165 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -1.878   0.804   0.435  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -1.111   1.183  -0.645  0.00  0.00    -0.303 N 
ATOM      4  H   LIG    1       -1.349   0.804  -1.554  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1       -1.923   1.464   1.470  0.00  0.00    -0.276 OA
BRANCH   2   6
ATOM      6  C   LIG    1       -2.711  -0.454   0.189  0.00  0.00    +0.072 C 
ATOM      7  C   LIG    1       -3.930  -0.060  -0.651  0.00  0.00    +0.017 C 
BRANCH   6   8
ATOM      8  C   LIG    1       -3.123  -1.116   1.522  0.00  0.00    +0.015 C 
BRANCH   8  10
ATOM      9  C   LIG    1       -4.008  -3.298   0.497  0.00  0.00    +0.007 C 
ATOM     10  C   LIG    1       -3.102  -2.661   1.548  0.00  0.00    -0.016 C 
ATOM     11  C   LIG    1       -1.680  -3.218   1.439  0.00  0.00    +0.007 C 
ENDBRANCH   8  10
ENDBRANCH   6   8
ENDBRANCH   2   6
ENDBRANCH   1   3
BRANCH   1  12
ATOM     12  C   LIG    1       -1.258   3.581  -0.928  0.00  0.00    +0.234 C 
ATOM     13  N   LIG    1       -2.005   3.993   0.158  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1       -2.009   3.375   0.972  0.00  0.00    +0.149 HD
ATOM     15  O   LIG    1       -1.401   4.037  -2.059  0.00  0.00    -0.274 OA
BRANCH  13  16
ATOM     16  C   LIG    1       -3.073   4.965   0.035  0.00  0.00    +0.119 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.356   4.347  -0.538  0.00  0.00    +0.096 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -5.479   5.284  -0.512  0.00  0.00    -0.329 NA
ATOM     19  H   LIG    1       -5.726   5.497   0.454  0.00  0.00    +0.118 HD
ATOM     20  H   LIG    1       -6.296   4.836  -0.924  0.00  0.00    +0.118 HD
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  12
BRANCH   1  21
ATOM     21  C   LIG    1        0.825   2.386  -1.643  0.00  0.00    +0.094 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.900   1.425  -1.240  0.00  0.00    +0.082 A 
ATOM     23  S   LIG    1        2.038  -0.103  -2.010  0.00  0.00    -0.072 S 
ATOM     24  C   LIG    1        3.389  -0.484  -1.011  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        3.637   0.590  -0.157  0.00  0.00    +0.078 A 
ATOM     26  C   LIG    1        4.702   0.492   0.758  0.00  0.00    +0.029 A 
ATOM     27  C   LIG    1        5.486  -0.668   0.794  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1        5.232  -1.742  -0.067  0.00  0.00    -0.044 A 
ATOM     29  C   LIG    1        4.171  -1.652  -0.986  0.00  0.00    +0.021 A 
ATOM     30  N   LIG    1        2.787   1.673  -0.302  0.00  0.00    -0.244 NA
BRANCH  28  31
ATOM     31  C   LIG    1        6.115  -2.979  -0.000  0.00  0.00    +0.013 C 
ATOM     32  C   LIG    1        5.306  -4.246   0.291  0.00  0.00    +0.012 C 
ATOM     33  C   LIG    1        6.938  -3.141  -1.281  0.00  0.00    +0.012 C 
ENDBRANCH  28  31
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 11