REMARK  Name = BDB001640
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.152  -0.430   0.798  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1        1.353  -0.309   0.086  0.00  0.00    -0.176 N 
ATOM      3  C   LIG    1        2.444   0.510   0.321  0.00  0.00    +0.098 A 
ATOM      4  C   LIG    1        3.336   0.156  -0.684  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1        4.580   0.799  -0.766  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        4.888   1.788   0.176  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        3.977   2.128   1.179  0.00  0.00    +0.002 A 
ATOM      8  N   LIG    1        2.795  -0.829  -1.460  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        2.732   1.496   1.274  0.00  0.00    +0.030 A 
ATOM     10  N   LIG    1        1.591  -1.113  -0.985  0.00  0.00    -0.057 NA
ATOM     11  O   LIG    1        0.018   0.198   1.849  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -1.776  -0.973  -0.715  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -0.951  -1.308   0.369  0.00  0.00    +0.055 A 
ATOM     14  C   LIG    1       -1.173  -2.476   1.112  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1       -2.202  -3.342   0.747  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -3.008  -3.039  -0.349  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -2.798  -1.863  -1.075  0.00  0.00    +0.015 A 
BRANCH  12  18
ATOM     18  S   LIG    1       -1.583   0.539  -1.651  0.00  0.00    -0.125 S 
BRANCH  18  20
ATOM     19  C   LIG    1       -2.880   1.968   0.344  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1       -3.050   1.464  -1.079  0.00  0.00    +0.071 C 
ENDBRANCH  18  20
ENDBRANCH  12  18
ENDBRANCH   1  13
TORSDOF 3