REMARK  Name = BDB033567
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.202  -0.109   0.421  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1       -0.145   0.118   0.042  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1       -0.227   1.488  -0.083  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1       -1.381   2.177  -0.435  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1       -2.537   1.408  -0.690  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -2.489  -0.011  -0.590  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -3.720  -0.850  -0.854  0.00  0.00    +0.042 C 
ATOM      8  C   LIG    1       -3.372  -2.319  -1.042  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1       -2.403  -2.725   0.048  0.00  0.00    +0.229 C 
ATOM     10  O   LIG    1       -1.166  -2.020  -0.077  0.00  0.00    -0.491 OA
ATOM     11  O   LIG    1        0.985   2.039   0.191  0.00  0.00    -0.353 OA
ATOM     12  C   LIG    1       -1.290  -0.659  -0.201  0.00  0.00    +0.138 A 
ATOM     13  N   LIG    1        1.889   1.035   0.497  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  14
ATOM     14  N   LIG    1        1.736  -1.369   0.644  0.00  0.00    -0.196 N 
ATOM     15  H   LIG    1        1.143  -2.188   0.528  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  S   LIG    1        3.250  -1.663   1.279  0.00  0.00    +0.077 S 
ATOM     17  O   LIG    1        3.367  -0.893   2.498  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1        3.379  -3.108   1.298  0.00  0.00    -0.150 OA
BRANCH  16  20
ATOM     19  C   LIG    1        5.477  -0.304   0.332  0.00  0.00    +0.147 A 
ATOM     20  C   LIG    1        4.357  -1.076   0.025  0.00  0.00    +0.150 A 
ATOM     21  C   LIG    1        4.078  -1.405  -1.312  0.00  0.00    +0.032 A 
ATOM     22  C   LIG    1        4.914  -0.954  -2.334  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        6.036  -0.188  -2.026  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        6.323   0.127  -0.697  0.00  0.00    +0.047 A 
BRANCH  19  26
ATOM     25  C   LIG    1        5.577   1.319   1.963  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        5.843  -0.043   1.622  0.00  0.00    -0.493 OA
ENDBRANCH  19  26
ENDBRANCH  16  20
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   5  27
ATOM     27  C   LIG    1       -3.805   2.156  -1.064  0.00  0.00    +0.179 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -4.780   2.175   0.019  0.00  0.00    -0.267 N 
ATOM     29  N   LIG    1       -5.984   1.587  -0.150  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1       -6.618   1.829   1.001  0.00  0.00    +0.134 A 
ATOM     31  C   LIG    1       -5.836   2.578   1.897  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1       -4.654   2.798   1.230  0.00  0.00    +0.108 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 6