REMARK  Name = BDB012740
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.800   0.677  -0.789  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1       -2.028   0.081  -0.801  0.00  0.00    +0.166 A 
ATOM      3  C   LIG    1       -2.157  -0.436  -2.073  0.00  0.00    +0.139 A 
ATOM      4  C   LIG    1       -3.384  -1.125  -2.370  0.00  0.00    +0.116 A 
ATOM      5  N   LIG    1       -4.267  -1.183  -1.306  0.00  0.00    -0.320 N 
ATOM      6  H   LIG    1       -5.160  -1.614  -1.479  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -4.012  -0.616  -0.071  0.00  0.00    +0.193 A 
ATOM      8  S   LIG    1       -3.694  -1.781  -3.858  0.00  0.00    -0.030 S 
ATOM      9  N   LIG    1       -1.047  -0.180  -2.835  0.00  0.00    -0.231 NA
ATOM     10  N   LIG    1       -2.911   0.021   0.227  0.00  0.00    -0.197 NA
ATOM     11  C   LIG    1       -0.245   0.490  -2.030  0.00  0.00    +0.201 A 
ENDROOT
BRANCH   7  12
ATOM     12  N   LIG    1       -4.986  -0.759   0.862  0.00  0.00    -0.329 N 
ATOM     13  H   LIG    1       -4.656  -0.506   1.789  0.00  0.00    +0.145 HD
ATOM     14  H   LIG    1       -5.480  -1.642   0.859  0.00  0.00    +0.145 HD
ENDBRANCH   7  12
BRANCH   1  15
ATOM     15  C   LIG    1       -0.206   1.413   0.306  0.00  0.00    +0.156 C 
BRANCH  15  17
ATOM     16  C   LIG    1        0.424  -0.708   1.577  0.00  0.00    +0.040 C 
ATOM     17  C   LIG    1        0.894   0.652   1.064  0.00  0.00    +0.136 C 
BRANCH  17  18
ATOM     18  O   LIG    1        2.029   0.535   0.198  0.00  0.00    -0.363 OA
BRANCH  18  19
ATOM     19  C   LIG    1        3.219   0.066   0.843  0.00  0.00    +0.286 C 
BRANCH  19  20
ATOM     20  P   LIG    1        4.622   0.389  -0.231  0.00  0.00    +0.353 P 
ATOM     21  O   LIG    1        5.971  -0.037   0.247  0.00  0.00    -0.256 OA
BRANCH  20  22
ATOM     22  O   LIG    1        4.275  -0.241  -1.664  0.00  0.00    -0.323 OA
ATOM     23  H   LIG    1        5.035  -0.277  -2.270  0.00  0.00    +0.220 HD
ENDBRANCH  20  22
BRANCH  20  24
ATOM     24  O   LIG    1        4.591   1.958  -0.571  0.00  0.00    -0.323 OA
ATOM     25  H   LIG    1        5.402   2.265  -1.016  0.00  0.00    +0.220 HD
ENDBRANCH  20  24
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 8