REMARK  Name = BDB051214
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.970  -1.017  -1.783  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1        1.973  -0.125  -1.737  0.00  0.00    -0.206 NA
ATOM      3  C   LIG    1        2.866  -0.252  -0.744  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1        2.742  -1.238   0.216  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1        1.680  -2.113   0.092  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1        1.470  -3.198   1.104  0.00  0.00    +0.066 C 
ATOM      7  N   LIG    1        0.793  -2.024  -0.913  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1        3.890   0.701  -0.744  0.00  0.00    -0.285 N 
ATOM      9  H   LIG    1        3.668   1.417  -1.434  0.00  0.00    +0.155 HD
BRANCH   8  10
ATOM     10  C   LIG    1        5.119   0.689  -0.181  0.00  0.00    +0.120 A 
ATOM     11  N   LIG    1        5.788  -0.441   0.205  0.00  0.00    -0.264 N 
ATOM     12  H   LIG    1        5.494  -1.404   0.105  0.00  0.00    +0.190 HD
ATOM     13  N   LIG    1        7.000  -0.204   0.736  0.00  0.00    -0.178 NA
ATOM     14  C   LIG    1        7.141   1.123   0.627  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1        8.384   1.783   1.091  0.00  0.00    +0.067 C 
ATOM     16  C   LIG    1        6.001   1.721   0.041  0.00  0.00    +0.068 A 
ENDBRANCH   8  10
ENDBRANCH   3   8
BRANCH   1  17
ATOM     17  S   LIG    1       -0.192  -0.855  -3.117  0.00  0.00    -0.050 S 
BRANCH  17  21
ATOM     18  C   LIG    1       -4.078  -0.182  -0.751  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1       -3.768  -1.444  -1.274  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -2.584  -1.649  -1.992  0.00  0.00    +0.017 A 
ATOM     21  C   LIG    1       -1.691  -0.596  -2.192  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1       -2.001   0.665  -1.679  0.00  0.00    +0.017 A 
ATOM     23  C   LIG    1       -3.186   0.870  -0.961  0.00  0.00    +0.024 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -5.804   1.072   0.570  0.00  0.00    +0.217 C 
ATOM     25  N   LIG    1       -5.290  -0.062  -0.040  0.00  0.00    -0.286 N 
ATOM     26  H   LIG    1       -5.844  -0.906   0.034  0.00  0.00    +0.155 HD
ATOM     27  O   LIG    1       -5.288   2.183   0.599  0.00  0.00    -0.275 OA
BRANCH  24  29
ATOM     28  C   LIG    1       -7.734   2.003   1.914  0.00  0.00    +0.013 C 
ATOM     29  C   LIG    1       -7.142   0.781   1.233  0.00  0.00    +0.093 C 
ENDBRANCH  24  29
ENDBRANCH  18  25
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 6