REMARK  Name = BDB002455
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.651  -0.853   3.302  0.00  0.00    +0.157 C 
ATOM      2  N   LIG    1       -2.667  -0.489   1.898  0.00  0.00    -0.262 N 
ATOM      3  C   LIG    1       -3.739   0.323   1.475  0.00  0.00    +0.333 A 
ATOM      4  O   LIG    1       -4.606   0.696   2.270  0.00  0.00    -0.246 OA
ATOM      5  N   LIG    1       -3.768   0.687   0.128  0.00  0.00    -0.280 N 
ATOM      6  C   LIG    1       -4.841   1.517  -0.389  0.00  0.00    +0.155 C 
ATOM      7  C   LIG    1       -2.758   0.268  -0.704  0.00  0.00    +0.169 A 
ATOM      8  N   LIG    1       -2.646   0.554  -2.028  0.00  0.00    -0.203 NA
ATOM      9  C   LIG    1       -1.532  -0.042  -2.404  0.00  0.00    +0.180 A 
ATOM     10  N   LIG    1       -0.935  -0.707  -1.357  0.00  0.00    -0.312 N 
ATOM     11 BR   LIG    1       -0.881   0.073  -4.200  0.00  0.00    -0.008 Br
ATOM     12  C   LIG    1       -1.723  -0.495  -0.256  0.00  0.00    +0.152 A 
ATOM     13  C   LIG    1       -1.599  -0.907   1.101  0.00  0.00    +0.282 A 
ATOM     14  O   LIG    1       -0.638  -1.549   1.513  0.00  0.00    -0.265 OA
ENDROOT
BRANCH  10  15
ATOM     15  C   LIG    1        0.289  -1.488  -1.410  0.00  0.00    +0.135 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.510  -0.646  -1.060  0.00  0.00    +0.099 C 
BRANCH  16  17
ATOM     17  S   LIG    1        3.019  -1.650  -1.229  0.00  0.00    -0.084 S 
BRANCH  17  18
ATOM     18  C   LIG    1        4.244  -0.464  -0.729  0.00  0.00    +0.188 A 
ATOM     19  N   LIG    1        3.874   0.815  -0.538  0.00  0.00    -0.230 NA
ATOM     20  C   LIG    1        4.847   1.668  -0.168  0.00  0.00    +0.115 A 
ATOM     21  C   LIG    1        6.157   1.296   0.013  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        6.428  -0.032  -0.211  0.00  0.00    +0.115 A 
ATOM     23  N   LIG    1        5.496  -0.928  -0.583  0.00  0.00    -0.230 NA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  10  15
TORSDOF 4