REMARK  Name = BDB052983
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.147  -0.910   0.389  0.00  0.00    +0.152 A 
ATOM      2  C   LIG    1       -2.236  -2.400   0.313  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -1.248  -3.141   0.955  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -1.271  -4.544   0.918  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.289  -5.209   0.240  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -3.286  -4.476  -0.397  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -0.172  -2.454   1.686  0.00  0.00    +0.275 A 
ATOM      8  O   LIG    1        0.702  -3.117   2.241  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -0.227  -1.068   1.702  0.00  0.00    -0.223 N 
ATOM     10  C   LIG    1       -3.264  -3.077  -0.361  0.00  0.00    +0.012 A 
ATOM     11  N   LIG    1       -1.188  -0.328   1.064  0.00  0.00    -0.152 NA
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1       -3.093  -0.128  -0.273  0.00  0.00    -0.283 N 
ATOM     13  H   LIG    1       -3.771  -0.615  -0.844  0.00  0.00    +0.155 HD
BRANCH  12  19
ATOM     14  C   LIG    1       -4.194   4.684  -0.993  0.00  0.00    +0.067 C 
ATOM     15  C   LIG    1       -3.617   3.383  -0.578  0.00  0.00    +0.062 A 
ATOM     16  N   LIG    1       -2.560   3.348   0.244  0.00  0.00    -0.178 NA
ATOM     17  N   LIG    1       -2.318   2.034   0.394  0.00  0.00    -0.264 N 
ATOM     18  H   LIG    1       -1.550   1.720   0.978  0.00  0.00    +0.190 HD
ATOM     19  C   LIG    1       -3.180   1.228  -0.300  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1       -4.042   2.082  -0.945  0.00  0.00    +0.068 A 
ENDBRANCH  12  19
ENDBRANCH   1  12
BRANCH   9  21
ATOM     21  C   LIG    1        0.843  -0.316   2.351  0.00  0.00    +0.182 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.941   0.061   1.380  0.00  0.00    -0.026 A 
ATOM     23  C   LIG    1        1.881   1.271   0.671  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        2.877   1.605  -0.248  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        3.943   0.726  -0.456  0.00  0.00    +0.088 A 
ATOM     26  C   LIG    1        4.007  -0.492   0.223  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1        3.007  -0.820   1.140  0.00  0.00    +0.007 A 
BRANCH  25  28
ATOM     28  S   LIG    1        5.206   1.143  -1.631  0.00  0.00    -0.006 S 
ATOM     29  O   LIG    1        5.833  -0.091  -2.064  0.00  0.00    -0.170 OA
ATOM     30  O   LIG    1        4.627   2.058  -2.596  0.00  0.00    -0.170 OA
ATOM     31  C   LIG    1        6.382   2.044  -0.656  0.00  0.00    +0.200 C 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   9  21
TORSDOF 5