REMARK  Name = BDB019132
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.508   1.749  -0.896  0.00  0.00    +0.202 A 
ATOM      2  C   LIG    1       -1.050   0.549  -0.364  0.00  0.00    +0.103 A 
ATOM      3  N   LIG    1        0.309   0.538  -0.655  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1        1.199  -0.470  -0.222  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1        0.735  -1.461   0.488  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1       -0.617  -1.499   0.745  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1        0.580   1.658  -1.394  0.00  0.00    +0.209 A 
ATOM      8  C   LIG    1       -1.532  -0.578   0.368  0.00  0.00    +0.031 A 
ATOM      9  N   LIG    1       -0.491   2.386  -1.592  0.00  0.00    -0.217 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -2.929  -0.914   0.682  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -3.540  -0.717   1.915  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1       -2.819  -0.066   3.061  0.00  0.00    +0.066 C 
ATOM     13  N   LIG    1       -4.814  -1.108   2.163  0.00  0.00    -0.237 NA
ATOM     14  C   LIG    1       -5.498  -1.684   1.157  0.00  0.00    +0.126 A 
ATOM     15  C   LIG    1       -6.924  -2.057   1.412  0.00  0.00    +0.088 C 
ATOM     16  N   LIG    1       -5.000  -1.914  -0.071  0.00  0.00    -0.240 NA
ATOM     17  C   LIG    1       -3.721  -1.539  -0.267  0.00  0.00    +0.123 A 
ENDBRANCH   8  10
BRANCH   1  18
ATOM     18  S   LIG    1       -3.098   2.467  -0.804  0.00  0.00    +0.016 S 
ATOM     19  O   LIG    1       -2.897   3.881  -1.054  0.00  0.00    -0.168 OA
ATOM     20  O   LIG    1       -3.658   1.992   0.443  0.00  0.00    -0.168 OA
BRANCH  18  22
ATOM     21  C   LIG    1       -5.403   2.189  -2.233  0.00  0.00    +0.028 C 
ATOM     22  C   LIG    1       -3.955   1.745  -2.187  0.00  0.00    +0.170 C 
ENDBRANCH  18  22
ENDBRANCH   1  18
BRANCH   4  23
ATOM     23  N   LIG    1        2.535  -0.376  -0.549  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1        2.785   0.154  -1.375  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1        3.447  -1.478  -0.293  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.859  -1.016  -0.508  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        5.502  -0.153   0.375  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        4.996   0.506   1.604  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1        6.319   1.028   2.166  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1        7.276   1.144   1.088  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1        6.798   0.284   0.134  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1        7.511  -0.104  -0.981  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1        6.891  -0.974  -1.878  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1        5.583  -1.418  -1.638  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1        5.013  -2.237  -2.534  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   4  23
TORSDOF 6