REMARK  Name = BDB063072
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.187   1.559   1.015  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1        0.511   0.072   0.887  0.00  0.00    +0.111 C 
ATOM      3  C   LIG    1       -0.713  -0.705   0.485  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1       -1.824  -0.102   0.053  0.00  0.00    +0.214 A 
ATOM      5  N   LIG    1       -2.918  -0.814  -0.333  0.00  0.00    -0.278 N 
ATOM      6  H   LIG    1       -3.750  -0.324  -0.638  0.00  0.00    +0.173 HD
ATOM      7  C   LIG    1       -2.973  -2.177  -0.321  0.00  0.00    +0.329 A 
ATOM      8  N   LIG    1       -1.836  -2.806   0.100  0.00  0.00    -0.275 N 
ATOM      9  H   LIG    1       -1.874  -3.811   0.181  0.00  0.00    +0.173 HD
ATOM     10  O   LIG    1       -3.979  -2.792  -0.654  0.00  0.00    -0.247 OA
ATOM     11  O   LIG    1       -1.948   1.268  -0.026  0.00  0.00    -0.425 OA
ATOM     12  C   LIG    1       -0.729  -2.178   0.602  0.00  0.00    +0.262 A 
ATOM     13  O   LIG    1        0.182  -2.795   1.138  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -0.977   2.077   0.563  0.00  0.00    +0.200 C 
ENDROOT
BRANCH   2  15
ATOM     15  C   LIG    1        1.688  -0.166  -0.054  0.00  0.00    +0.003 A 
ATOM     16  S   LIG    1        3.187  -0.726   0.569  0.00  0.00    -0.101 S 
ATOM     17  C   LIG    1        3.906  -0.725  -0.981  0.00  0.00    +0.045 A 
ATOM     18  C   LIG    1        3.033  -0.305  -1.957  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        1.752   0.020  -1.424  0.00  0.00    +0.012 A 
ENDBRANCH   2  15
BRANCH  14  20
ATOM     20  N   LIG    1       -1.345   3.400   0.621  0.00  0.00    -0.328 N 
ATOM     21  H   LIG    1       -0.583   4.071   0.693  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -2.028   3.650  -0.091  0.00  0.00    +0.145 HD
ENDBRANCH  14  20
BRANCH   1  24
ATOM     23  N   LIG    1        1.935   3.084   2.157  0.00  0.00    -0.191 NA
ATOM     24  C   LIG    1        1.156   2.390   1.651  0.00  0.00    +0.101 C 
ENDBRANCH   1  24
TORSDOF 3