REMARK  Name = BDB063978
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.519   0.144   0.366  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1        0.054   0.357  -0.838  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -0.389   0.663  -1.685  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        1.399   0.212  -0.722  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        2.231   0.358  -1.594  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.559  -0.148   0.717  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.689  -0.440   1.373  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.312  -0.159   1.316  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.047  -0.462   0.824  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.638   0.703   0.312  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.955   0.629  -0.177  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.688  -0.559  -0.152  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.973  -0.477  -0.664  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        8.201   0.750  -1.073  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        6.084  -1.715   0.380  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        6.926   1.873  -0.870  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.772  -1.655   0.866  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.856   0.249   0.557  0.00  0.00    -0.309 N 
ATOM     19  H   LIG    1       -2.133   0.004   1.504  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.880  -0.060  -0.437  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.179   0.588   0.031  0.00  0.00    -0.026 A 
ATOM     22  C   LIG    1       -5.308  -0.141   0.434  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -6.467   0.513   0.864  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.516   1.904   0.904  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.406   2.646   0.514  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.249   1.994   0.082  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
BRANCH  20  27
ATOM     27  C   LIG    1       -2.902  -1.603  -0.689  0.00  0.00    +0.104 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -3.784  -2.048  -1.774  0.00  0.00    -0.328 NA
ATOM     29  H   LIG    1       -3.682  -3.055  -1.901  0.00  0.00    +0.118 HD
ATOM     30  H   LIG    1       -3.501  -1.621  -2.656  0.00  0.00    +0.118 HD
ENDBRANCH  27  28
ENDBRANCH  20  27
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6