REMARK  Name = BDB014822
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.492  -0.069   0.310  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1        0.267   0.624   1.267  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        1.659   0.483   1.337  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1        2.345  -0.356   0.451  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1        1.589  -1.048  -0.505  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        0.195  -0.906  -0.571  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.807  -0.503   0.518  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1        4.610  -0.272  -0.612  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        6.000  -0.403  -0.548  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1        6.606  -0.783   0.646  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        5.833  -1.006   1.783  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1        4.443  -0.871   1.716  0.00  0.00    +0.010 A 
BRANCH  10  13
ATOM     13  N   LIG    1        8.026  -0.874   0.720  0.00  0.00    -0.221 N 
ATOM     14  H   LIG    1        8.377  -1.638   1.301  0.00  0.00    +0.173 HD
BRANCH  13  15
ATOM     15  S   LIG    1        8.867   0.539   1.129  0.00  0.00    +0.040 S 
ATOM     16  O   LIG    1       10.052   0.087   1.829  0.00  0.00    -0.155 OA
ATOM     17  O   LIG    1        7.972   1.508   1.719  0.00  0.00    -0.155 OA
ATOM     18  C   LIG    1        9.380   1.116  -0.473  0.00  0.00    +0.218 C 
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  N   LIG    1       -1.894   0.117   0.294  0.00  0.00    -0.298 N 
ATOM     20  H   LIG    1       -2.179   0.770   1.011  0.00  0.00    +0.154 HD
BRANCH  19  26
ATOM     21  C   LIG    1       -6.429   3.120   1.525  0.00  0.00    +0.109 C 
ATOM     22  C   LIG    1       -7.142   1.973   0.853  0.00  0.00    +0.213 C 
ATOM     23  N   LIG    1       -6.353   0.962   0.317  0.00  0.00    -0.297 N 
ATOM     24  C   LIG    1       -4.915   0.834   0.635  0.00  0.00    +0.148 C 
ATOM     25  C   LIG    1       -4.236  -0.071  -0.328  0.00  0.00    +0.032 A 
ATOM     26  C   LIG    1       -2.864  -0.409  -0.495  0.00  0.00    +0.150 A 
ATOM     27  N   LIG    1       -2.720  -1.283  -1.498  0.00  0.00    -0.156 NA
ATOM     28  N   LIG    1       -3.959  -1.493  -1.972  0.00  0.00    -0.269 N 
ATOM     29  C   LIG    1       -4.141  -2.388  -3.088  0.00  0.00    +0.172 C 
ATOM     30  C   LIG    1       -4.905  -0.803  -1.286  0.00  0.00    +0.047 A 
ATOM     31  C   LIG    1       -6.371  -0.785  -1.497  0.00  0.00    +0.074 C 
ATOM     32  C   LIG    1       -7.040  -0.231  -0.222  0.00  0.00    +0.114 C 
ATOM     33  O   LIG    1       -8.371   1.968   0.786  0.00  0.00    -0.276 OA
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 5