REMARK  Name = BDB051208
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.255  -0.731   0.443  0.00  0.00    +0.136 A 
ATOM      2  C   LIG    1       -3.740  -2.038   0.570  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -2.590  -2.151   1.361  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -2.027  -3.407   1.552  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -2.566  -4.556   0.970  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -3.694  -4.455   0.170  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -2.002  -1.105   1.940  0.00  0.00    -0.221 NA
ATOM      8  C   LIG    1       -2.534   0.102   1.714  0.00  0.00    +0.195 A 
ATOM      9  C   LIG    1       -4.279  -3.207  -0.033  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1       -3.633   0.335   0.987  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -5.425  -0.513  -0.334  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1       -6.089  -1.274  -0.235  0.00  0.00    +0.155 HD
BRANCH  11  18
ATOM     13  C   LIG    1       -8.136   3.326  -1.991  0.00  0.00    +0.067 C 
ATOM     14  C   LIG    1       -7.097   2.438  -1.418  0.00  0.00    +0.062 A 
ATOM     15  N   LIG    1       -5.946   2.953  -0.970  0.00  0.00    -0.178 NA
ATOM     16  N   LIG    1       -5.265   1.878  -0.531  0.00  0.00    -0.264 N 
ATOM     17  H   LIG    1       -4.353   2.000  -0.103  0.00  0.00    +0.190 HD
ATOM     18  C   LIG    1       -5.935   0.693  -0.691  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1       -7.139   1.031  -1.263  0.00  0.00    +0.068 A 
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   8  20
ATOM     20  S   LIG    1       -1.752   1.522   2.445  0.00  0.00    -0.050 S 
BRANCH  20  21
ATOM     21  C   LIG    1       -0.042   1.199   2.066  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1        0.448   1.373   0.769  0.00  0.00    +0.017 A 
ATOM     23  C   LIG    1        1.797   1.129   0.480  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1        2.672   0.715   1.485  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1        2.180   0.551   2.785  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1        0.833   0.794   3.075  0.00  0.00    +0.017 A 
BRANCH  24  27
ATOM     27  N   LIG    1        4.035   0.450   1.275  0.00  0.00    -0.251 N 
ATOM     28  H   LIG    1        4.591   0.160   2.067  0.00  0.00    +0.158 HD
ATOM     29  C   LIG    1        4.750   0.527   0.114  0.00  0.00    +0.405 C 
ATOM     30  O   LIG    1        4.346   0.843  -0.993  0.00  0.00    -0.226 OA
BRANCH  29  31
ATOM     31  O   LIG    1        6.032   0.181   0.401  0.00  0.00    -0.444 OA
BRANCH  31  32
ATOM     32  C   LIG    1        7.050   0.167  -0.634  0.00  0.00    +0.107 C 
ATOM     33  C   LIG    1        7.271   1.566  -1.220  0.00  0.00    +0.055 C 
ATOM     34  C   LIG    1        6.728  -0.867  -1.720  0.00  0.00    +0.055 C 
ATOM     35  C   LIG    1        8.333  -0.269   0.090  0.00  0.00    +0.055 C 
ENDBRANCH  31  32
ENDBRANCH  29  31
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 7