REMARK  Name = BDB017681
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.341  -1.022   0.824  0.00  0.00    -0.031 A 
ATOM      2  C   LIG    1       -1.116  -0.202   1.653  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -2.471   0.003   1.372  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -3.088  -0.591   0.261  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -4.524  -0.315   0.011  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1       -5.131  -0.822  -1.136  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1       -4.487  -0.933  -1.914  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -6.450  -0.355  -1.550  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -7.341  -0.201  -0.324  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -6.685   0.717   0.713  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -5.218   0.433   0.893  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -4.559   1.038   2.082  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -5.178   1.733   2.883  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -2.313  -1.437  -0.544  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1       -3.223   0.804   2.236  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1       -2.798   1.225   3.050  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1       -0.957  -1.648  -0.267  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1        1.122  -1.269   1.132  0.00  0.00    +0.119 C 
BRANCH  18  22
ATOM     19  N   LIG    1        4.592   0.442  -0.201  0.00  0.00    -0.307 N 
ATOM     20  C   LIG    1        3.348   1.133   0.143  0.00  0.00    +0.122 C 
ATOM     21  C   LIG    1        2.113   0.379  -0.403  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1        2.005  -1.046  -0.022  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        3.337  -1.639   0.232  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1        4.490  -0.979  -0.556  0.00  0.00    +0.122 C 
BRANCH  19  27
ATOM     25  C   LIG    1        7.989   1.301  -0.594  0.00  0.00    +0.149 A 
ATOM     26  N   LIG    1        6.900   0.455  -0.663  0.00  0.00    -0.214 NA
ATOM     27  C   LIG    1        5.805   1.054  -0.241  0.00  0.00    +0.162 A 
ATOM     28  S   LIG    1        6.074   2.692   0.277  0.00  0.00    -0.059 S 
ATOM     29  C   LIG    1        7.734   2.561  -0.109  0.00  0.00    +0.087 A 
BRANCH  25  31
ATOM     30  N   LIG    1       10.335   0.491  -1.345  0.00  0.00    -0.189 NA
ATOM     31  C   LIG    1        9.277   0.836  -1.014  0.00  0.00    +0.120 C 
ENDBRANCH  25  31
ENDBRANCH  19  27
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 4