REMARK  Name = BDB003474
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.250  -1.231  -0.067  0.00  0.00    -0.156 N 
ATOM      2  C   LIG    1       -2.321  -1.842  -0.751  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1       -3.516  -1.559  -0.645  0.00  0.00    -0.274 OA
ATOM      4  C   LIG    1       -1.900  -2.982  -1.651  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1   5
ATOM      5  N   LIG    1       -0.151  -2.023   0.220  0.00  0.00    -0.162 NA
ATOM      6  C   LIG    1        1.009  -1.534  -0.079  0.00  0.00    +0.167 C 
ATOM      7  C   LIG    1        1.417  -0.273  -0.816  0.00  0.00    +0.221 C 
ATOM      8  O   LIG    1        0.660   0.374  -1.516  0.00  0.00    -0.284 OA
ATOM      9  C   LIG    1        2.827   0.078  -0.678  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1        3.536  -0.935  -0.061  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        4.900  -0.801   0.147  0.00  0.00    +0.016 A 
ATOM     12  C   LIG    1        5.535   0.371  -0.280  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.805   1.389  -0.911  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        3.433   1.246  -1.120  0.00  0.00    +0.013 A 
ATOM     15  S   LIG    1        2.516  -2.304   0.357  0.00  0.00    -0.064 S 
ENDBRANCH   1   5
BRANCH   1  17
ATOM     16  C   LIG    1       -2.250   0.990   0.424  0.00  0.00    +0.143 A 
ATOM     17  C   LIG    1       -1.498  -0.132   0.827  0.00  0.00    +0.102 A 
ATOM     18  C   LIG    1       -0.961  -0.144   2.128  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1       -1.182   0.917   3.010  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -1.927   2.018   2.599  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -2.450   2.061   1.307  0.00  0.00    +0.047 A 
BRANCH  16  23
ATOM     22  C   LIG    1       -4.019   1.460  -1.032  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1       -2.650   1.086  -0.887  0.00  0.00    -0.493 OA
ENDBRANCH  16  23
ENDBRANCH   1  17
TORSDOF 3