REMARK  Name = BDB033736
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.051  -1.854   0.155  0.00  0.00    +0.237 A 
ATOM      2  C   LIG    1       -2.968  -3.039   0.847  0.00  0.00    +0.131 A 
ATOM      3  C   LIG    1       -1.690  -3.465   1.107  0.00  0.00    +0.138 A 
ATOM      4  N   LIG    1       -0.586  -2.791   0.721  0.00  0.00    -0.221 NA
ATOM      5  C   LIG    1       -0.770  -1.651   0.042  0.00  0.00    +0.219 A 
ATOM      6  N   LIG    1       -1.974  -1.150  -0.251  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -4.102  -3.781   1.277  0.00  0.00    +0.106 C 
ATOM      8  N   LIG    1       -5.002  -4.413   1.648  0.00  0.00    -0.191 NA
ENDBRANCH   2   7
BRANCH   5   9
ATOM      9  N   LIG    1        0.311  -0.904  -0.404  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1       -0.068   0.018  -0.599  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        1.514  -0.944   0.426  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1        2.419  -2.120   0.023  0.00  0.00    +0.039 C 
ATOM     13  C   LIG    1        3.496  -1.692  -0.962  0.00  0.00    +0.111 C 
ATOM     14  N   LIG    1        4.381  -0.641  -0.382  0.00  0.00    -0.176 NA
ATOM     15  C   LIG    1        3.725   0.239   0.620  0.00  0.00    +0.111 C 
ATOM     16  C   LIG    1        2.248   0.401   0.292  0.00  0.00    +0.039 C 
BRANCH  14  17
ATOM     17  S   LIG    1        5.944  -1.179   0.039  0.00  0.00    +0.064 S 
ATOM     18  O   LIG    1        6.531  -1.837  -1.107  0.00  0.00    -0.153 OA
ATOM     19  O   LIG    1        5.862  -1.818   1.334  0.00  0.00    -0.153 OA
BRANCH  17  20
ATOM     20  C   LIG    1        6.934   0.194   0.279  0.00  0.00    +0.143 A 
ATOM     21  C   LIG    1        7.185   1.226  -0.598  0.00  0.00    +0.136 A 
ATOM     22  N   LIG    1        8.033   2.065   0.064  0.00  0.00    -0.273 N 
ATOM     23  C   LIG    1        8.613   3.287  -0.437  0.00  0.00    +0.172 C 
ATOM     24  N   LIG    1        8.320   1.660   1.318  0.00  0.00    -0.178 NA
ATOM     25  C   LIG    1        7.661   0.501   1.436  0.00  0.00    +0.162 A 
ENDBRANCH  17  20
ENDBRANCH  14  17
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   1  26
ATOM     26  O   LIG    1       -4.313  -1.371  -0.132  0.00  0.00    -0.475 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -4.318  -0.121  -0.831  0.00  0.00    +0.237 C 
BRANCH  27  30
ATOM     28  C   LIG    1       -6.271   2.151  -0.108  0.00  0.00    +0.119 C 
ATOM     29  C   LIG    1       -6.586   0.665   0.176  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1       -5.780   0.278  -1.096  0.00  0.00    +0.007 C 
ATOM     31  C   LIG    1       -6.494  -0.720  -2.006  0.00  0.00    +0.015 C 
ATOM     32  C   LIG    1       -5.938   1.752  -1.563  0.00  0.00    +0.041 C 
BRANCH  28  34
ATOM     33  C   LIG    1       -5.470   3.132   1.963  0.00  0.00    +0.194 C 
ATOM     34  O   LIG    1       -5.174   2.731   0.633  0.00  0.00    -0.380 OA
ENDBRANCH  28  34
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 9