REMARK  Name = BDB015966
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.182  -2.634   0.137  0.00  0.00    +0.067 A 
ATOM      2  C   LIG    1       -1.563  -1.297   0.003  0.00  0.00    +0.133 A 
ATOM      3  N   LIG    1       -0.644  -0.315  -0.105  0.00  0.00    -0.212 NA
ATOM      4  C   LIG    1        0.662  -0.642  -0.054  0.00  0.00    +0.162 A 
ATOM      5  N   LIG    1        1.117  -1.898   0.088  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1        0.181  -2.861   0.182  0.00  0.00    +0.127 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -3.992  -7.073  -0.104  0.00  0.00    +0.075 C 
ATOM      8  C   LIG    1       -3.439  -5.721   0.159  0.00  0.00    +0.099 A 
ATOM      9  S   LIG    1       -1.937  -5.236  -0.517  0.00  0.00    -0.051 S 
ATOM     10  C   LIG    1       -2.152  -3.717   0.270  0.00  0.00    +0.137 A 
ATOM     11  N   LIG    1       -3.274  -3.642   0.962  0.00  0.00    -0.141 NA
ATOM     12  N   LIG    1       -4.016  -4.802   0.902  0.00  0.00    -0.146 NA
ENDBRANCH   1  10
BRANCH   4  13
ATOM     13  C   LIG    1        1.657   0.445  -0.162  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        3.042   0.183  -0.093  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        4.003   1.204  -0.191  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        3.569   2.522  -0.364  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        2.207   2.812  -0.436  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        1.267   1.785  -0.335  0.00  0.00    +0.011 A 
BRANCH  15  19
ATOM     19  C   LIG    1        5.419   0.880  -0.121  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        6.410   1.722   0.343  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1        7.581   1.026   0.253  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1        8.896   1.486   0.625  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1        7.429  -0.217  -0.237  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1        6.115  -0.305  -0.460  0.00  0.00    +0.142 A 
ENDBRANCH  15  19
ENDBRANCH   4  13
BRANCH   2  25
ATOM     25  N   LIG    1       -2.922  -0.973  -0.116  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -3.468  -1.533   0.545  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -3.400   0.410  -0.169  0.00  0.00    +0.072 C 
ATOM     28  C   LIG    1       -2.989   1.136  -1.452  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1       -3.667   2.505  -1.577  0.00  0.00    +0.020 C 
ATOM     30  C   LIG    1       -3.848   3.251  -0.243  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -2.926   2.704   0.852  0.00  0.00    +0.020 C 
ATOM     32  C   LIG    1       -3.104   1.204   1.111  0.00  0.00    +0.024 C 
BRANCH  30  33
ATOM     33  N   LIG    1       -5.242   3.202   0.206  0.00  0.00    -0.327 NA
ATOM     34  H   LIG    1       -5.842   3.634  -0.496  0.00  0.00    +0.118 HD
ATOM     35  H   LIG    1       -5.566   2.242   0.297  0.00  0.00    +0.118 HD
ENDBRANCH  30  33
ENDBRANCH  25  27
ENDBRANCH   2  25
TORSDOF 6