REMARK  Name = BDB061936
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.061  -1.680  -1.625  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -3.418  -0.601  -0.641  0.00  0.00    -0.024 A 
ATOM      3  C   LIG    1       -2.422   0.009   0.142  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -2.797   1.012   1.044  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1       -1.737   1.639   1.851  0.00  0.00    +0.259 A 
ATOM      6  N   LIG    1       -0.473   1.151   1.648  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1        0.265   1.613   2.162  0.00  0.00    +0.170 HD
ATOM      8  C   LIG    1       -0.181   0.173   0.733  0.00  0.00    +0.121 A 
ATOM      9  O   LIG    1       -1.966   2.539   2.650  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1       -4.128   1.418   1.180  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -5.109   0.810   0.402  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1       -1.081  -0.401   0.001  0.00  0.00    -0.233 NA
ATOM     13  C   LIG    1       -4.757  -0.193  -0.503  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   8  14
ATOM     14  C   LIG    1        1.273  -0.231   0.632  0.00  0.00    +0.151 C 
BRANCH  14  15
ATOM     15  S   LIG    1        2.205   1.110  -0.164  0.00  0.00    -0.078 S 
BRANCH  15  16
ATOM     16  C   LIG    1        3.804   0.348  -0.239  0.00  0.00    +0.189 A 
ATOM     17  N   LIG    1        4.064  -0.695   0.568  0.00  0.00    -0.230 NA
ATOM     18  C   LIG    1        5.300  -1.224   0.481  0.00  0.00    +0.115 A 
ATOM     19  C   LIG    1        6.271  -0.750  -0.367  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1        5.904   0.323  -1.143  0.00  0.00    +0.115 A 
ATOM     21  N   LIG    1        4.685   0.889  -1.097  0.00  0.00    -0.230 NA
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   8  14
TORSDOF 3