REMARK  Name = BDB033599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.677  -0.512  -1.032  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.513  -0.266  -0.301  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.160   0.701  -1.040  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.389   1.254  -0.704  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        2.997   0.796   0.485  0.00  0.00    -0.031 A 
ATOM      6  C   LIG    1        2.355  -0.189   1.284  0.00  0.00    -0.001 A 
ATOM      7  C   LIG    1        2.998  -0.700   2.555  0.00  0.00    +0.042 C 
ATOM      8  C   LIG    1        2.009  -1.463   3.422  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1        1.228  -2.412   2.538  0.00  0.00    +0.229 C 
ATOM     10  O   LIG    1        0.433  -1.693   1.593  0.00  0.00    -0.491 OA
ATOM     11  O   LIG    1        0.411   1.013  -2.130  0.00  0.00    -0.353 OA
ATOM     12  C   LIG    1        1.114  -0.739   0.878  0.00  0.00    +0.138 A 
ATOM     13  N   LIG    1       -0.749   0.255  -2.124  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  14
ATOM     14  N   LIG    1       -1.642  -1.429  -0.640  0.00  0.00    -0.196 N 
ATOM     15  H   LIG    1       -1.556  -1.834   0.290  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  S   LIG    1       -3.185  -1.506  -1.276  0.00  0.00    +0.081 S 
ATOM     17  O   LIG    1       -3.945  -2.357  -0.378  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -3.051  -1.862  -2.673  0.00  0.00    -0.150 OA
BRANCH  16  20
ATOM     19  C   LIG    1       -3.730   0.773   0.151  0.00  0.00    +0.150 A 
ATOM     20  C   LIG    1       -3.832   0.133  -1.093  0.00  0.00    +0.191 A 
ATOM     21  C   LIG    1       -4.455   0.797  -2.153  0.00  0.00    +0.150 A 
ATOM     22  C   LIG    1       -4.951   2.095  -1.974  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1       -4.800   2.746  -0.751  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -4.186   2.087   0.311  0.00  0.00    +0.048 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -4.096  -0.193   2.215  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -3.131   0.154   1.219  0.00  0.00    -0.493 OA
ENDBRANCH  19  26
BRANCH  21  27
ATOM     27  O   LIG    1       -4.711   0.178  -3.345  0.00  0.00    -0.493 OA
ATOM     28  C   LIG    1       -3.852   0.669  -4.377  0.00  0.00    +0.277 C 
ENDBRANCH  21  27
ENDBRANCH  16  20
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   5  29
ATOM     29  C   LIG    1        4.352   1.388   0.850  0.00  0.00    +0.098 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.506   0.464   0.590  0.00  0.00    +0.083 A 
ATOM     31  S   LIG    1        6.065   0.193  -1.018  0.00  0.00    -0.080 S 
ATOM     32  C   LIG    1        7.270  -0.862  -0.410  0.00  0.00    +0.066 A 
ATOM     33  C   LIG    1        7.178  -0.931   0.962  0.00  0.00    +0.119 A 
ATOM     34  N   LIG    1        6.176  -0.171   1.532  0.00  0.00    -0.252 NA
ENDBRANCH  29  30
ENDBRANCH   5  29
TORSDOF 7