REMARK  Name = BDB063942
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.563  -1.816   3.264  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        1.344  -1.257   2.209  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        2.298  -0.879   1.133  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        3.610  -1.127   1.232  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        1.610  -0.257   0.114  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.369  -0.247   0.508  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1        0.160  -0.817   1.714  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -0.704  -0.916   2.213  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        4.645  -0.785   0.244  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.920  -0.432   0.716  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        6.933  -0.135  -0.214  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.712  -0.194  -1.591  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.804   0.124  -2.384  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        8.828   0.419  -1.617  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.436  -0.566  -2.053  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        8.567   0.336   0.072  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.421  -0.862  -1.133  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -0.610   0.299  -0.253  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -0.253   0.627  -1.148  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.055   0.301  -0.106  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1       -2.662   1.006  -1.352  0.00  0.00    +0.029 C 
ATOM     22  C   LIG    1       -4.197   1.045  -1.268  0.00  0.00    -0.006 C 
ATOM     23  C   LIG    1       -4.611   1.812  -0.004  0.00  0.00    +0.038 C 
ATOM     24  C   LIG    1       -4.028   1.120   1.239  0.00  0.00    +0.069 C 
ATOM     25  C   LIG    1       -4.559  -0.323   1.312  0.00  0.00    +0.038 C 
ATOM     26  C   LIG    1       -4.156  -1.101   0.049  0.00  0.00    -0.006 C 
ATOM     27  C   LIG    1       -4.733  -0.394  -1.187  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1       -2.493   1.093   1.142  0.00  0.00    +0.060 C 
ATOM     29  C   LIG    1       -2.620  -1.135  -0.053  0.00  0.00    +0.029 C 
BRANCH  24  30
ATOM     30  O   LIG    1       -4.425   1.812   2.413  0.00  0.00    -0.388 OA
ATOM     31  H   LIG    1       -4.126   2.735   2.342  0.00  0.00    +0.210 HD
ENDBRANCH  24  30
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4