REMARK  Name = BDB055380
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.860  -0.654   1.438  0.00  0.00    +0.052 A 
ATOM      2  C   LIG    1       -2.988  -0.401   0.618  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -2.616  -0.163  -0.674  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1       -3.472   0.105  -1.705  0.00  0.00    -0.316 N 
ATOM      5  H   LIG    1       -3.128   0.268  -2.641  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -4.824   0.145  -1.450  0.00  0.00    +0.264 A 
ATOM      7  C   LIG    1       -5.293  -0.106  -0.046  0.00  0.00    +0.124 A 
ATOM      8  O   LIG    1       -5.645   0.381  -2.337  0.00  0.00    -0.267 OA
ATOM      9  S   LIG    1       -0.964  -0.227  -0.944  0.00  0.00    -0.065 S 
ATOM     10  C   LIG    1       -4.382  -0.363   0.918  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1       -0.668  -0.561   0.728  0.00  0.00    +0.083 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1       -1.922  -0.939   2.759  0.00  0.00    -0.356 N 
ATOM     13  H   LIG    1       -2.778  -1.278   3.187  0.00  0.00    +0.142 HD
ATOM     14  H   LIG    1       -1.093  -1.335   3.212  0.00  0.00    +0.142 HD
ENDBRANCH   1  12
BRANCH   7  15
ATOM     15  C   LIG    1       -6.724  -0.083   0.333  0.00  0.00    +0.342 C 
ATOM     16  O   LIG    1       -7.117  -0.291   1.472  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -7.578   0.185  -0.678  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1       -7.149   0.333  -1.555  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH   7  15
BRANCH  11  19
ATOM     19  C   LIG    1        0.680  -0.791   1.231  0.00  0.00    +0.202 C 
ATOM     20  O   LIG    1        0.916  -1.524   2.193  0.00  0.00    -0.286 OA
BRANCH  19  21
ATOM     21  C   LIG    1        1.851  -0.124   0.603  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        3.002  -0.881   0.358  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        4.136  -0.289  -0.219  0.00  0.00    -0.017 A 
ATOM     24  C   LIG    1        4.112   1.089  -0.539  0.00  0.00    -0.018 A 
ATOM     25  C   LIG    1        5.247   1.679  -1.118  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        6.390   0.921  -1.377  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        6.414  -0.434  -1.061  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        2.958   1.842  -0.265  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1        5.295  -1.036  -0.485  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1        1.835   1.243   0.310  0.00  0.00    +0.012 A 
ENDBRANCH  19  21
ENDBRANCH  11  19
TORSDOF 5