REMARK  Name = BDB003429
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.785  -0.326   2.591  0.00  0.00    +0.157 C 
ATOM      2  N   LIG    1        3.738   0.016   1.649  0.00  0.00    -0.262 N 
ATOM      3  C   LIG    1        3.507  -0.910   0.607  0.00  0.00    +0.333 A 
ATOM      4  O   LIG    1        4.168  -1.949   0.524  0.00  0.00    -0.246 OA
ATOM      5  N   LIG    1        2.504  -0.596  -0.315  0.00  0.00    -0.280 N 
ATOM      6  C   LIG    1        2.199  -1.496  -1.413  0.00  0.00    +0.155 C 
ATOM      7  C   LIG    1        1.791   0.567  -0.159  0.00  0.00    +0.169 A 
ATOM      8  C   LIG    1        2.035   1.421   0.871  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1        1.141   2.440   0.716  0.00  0.00    -0.327 N 
ATOM     10  H   LIG    1        1.029   3.251   1.310  0.00  0.00    +0.168 HD
ATOM     11  C   LIG    1        0.405   2.138  -0.397  0.00  0.00    +0.169 A 
ATOM     12  N   LIG    1        0.781   1.011  -0.957  0.00  0.00    -0.204 NA
ATOM     13  C   LIG    1        3.030   1.203   1.856  0.00  0.00    +0.282 A 
ATOM     14  O   LIG    1        3.220   1.988   2.778  0.00  0.00    -0.265 OA
ENDROOT
BRANCH  11  15
ATOM     15  S   LIG    1       -0.871   3.176  -0.902  0.00  0.00    -0.077 S 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.543   2.227  -2.302  0.00  0.00    +0.197 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.047   0.846  -1.942  0.00  0.00    +0.318 C 
ATOM     18  O   LIG    1       -1.997  -0.100  -2.720  0.00  0.00    -0.250 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -2.636   0.816  -0.715  0.00  0.00    -0.458 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -3.147  -0.424  -0.163  0.00  0.00    +0.105 C 
ATOM     21  C   LIG    1       -3.671  -0.041   1.229  0.00  0.00    +0.055 C 
ATOM     22  C   LIG    1       -2.029  -1.460   0.004  0.00  0.00    +0.055 C 
ATOM     23  C   LIG    1       -4.314  -0.966  -0.994  0.00  0.00    +0.055 C 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  11  15
TORSDOF 5