REMARK  Name = BDB001676
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.212   1.121   1.396  0.00  0.00    +0.284 C 
ATOM      2  N   LIG    1        0.054   1.042   0.789  0.00  0.00    -0.169 N 
ATOM      3  C   LIG    1        1.077   1.967   0.676  0.00  0.00    +0.195 A 
ATOM      4  N   LIG    1        2.113   1.432   0.070  0.00  0.00    -0.198 NA
ATOM      5  C   LIG    1        1.702   0.152  -0.179  0.00  0.00    +0.218 A 
ATOM      6  N   LIG    1        0.473  -0.143   0.251  0.00  0.00    -0.138 NA
ATOM      7  O   LIG    1       -1.466   2.080   2.124  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1       -2.666  -0.376  -0.003  0.00  0.00    +0.132 A 
ATOM      9  C   LIG    1       -2.249   0.074   1.257  0.00  0.00    +0.083 A 
ATOM     10  C   LIG    1       -2.827  -0.442   2.425  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1       -3.803  -1.433   2.336  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.214  -1.892   1.086  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -3.657  -1.359  -0.081  0.00  0.00    +0.046 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -1.885  -0.635  -2.206  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -2.147   0.242  -1.111  0.00  0.00    -0.494 OA
ENDBRANCH   8  15
ENDBRANCH   1   9
BRANCH   5  16
ATOM     16  C   LIG    1        2.607  -0.886  -0.918  0.00  0.00    +0.173 A 
ATOM     17  O   LIG    1        2.253  -2.176  -1.208  0.00  0.00    -0.460 OA
ATOM     18  C   LIG    1        3.304  -2.747  -1.850  0.00  0.00    +0.196 A 
ATOM     19  C   LIG    1        4.334  -1.846  -1.985  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1        3.885  -0.645  -1.384  0.00  0.00    +0.053 A 
ENDBRANCH   5  16
BRANCH   3  21
ATOM     21  S   LIG    1        0.997   3.617   1.200  0.00  0.00    -0.089 S 
ATOM     22  C   LIG    1        2.651   4.197   0.772  0.00  0.00    +0.093 C 
ENDBRANCH   3  21
TORSDOF 4