REMARK  Name = BDB012548
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.026   1.281  -0.459  0.00  0.00    +0.159 C 
ATOM      2  N   LIG    1       -1.206   1.117   0.462  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1       -1.459   2.309   1.210  0.00  0.00    +0.254 C 
ATOM      4  O   LIG    1       -2.325   2.560   2.031  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1       -0.465   3.257   0.782  0.00  0.00    +0.060 A 
ATOM      6  C   LIG    1       -0.026   4.568   0.984  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        1.060   4.743   0.137  0.00  0.00    +0.086 A 
ATOM      8  N   LIG    1        1.274   3.569  -0.561  0.00  0.00    -0.351 N 
ATOM      9  C   LIG    1        2.322   3.348  -1.527  0.00  0.00    +0.148 C 
ATOM     10  C   LIG    1        0.335   2.682  -0.158  0.00  0.00    +0.056 A 
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1       -1.988  -0.044   0.491  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -1.835  -1.047  -0.397  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -2.610  -2.197  -0.381  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1       -2.358  -3.214  -1.390  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -3.620  -2.406   0.553  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1       -4.336  -3.403   0.584  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -3.797  -1.319   1.562  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -4.852  -1.531   2.601  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1       -3.015  -0.228   1.505  0.00  0.00    +0.033 A 
ENDBRANCH   2  11
BRANCH   1  23
ATOM     20  C   LIG    1        3.276  -1.453   0.240  0.00  0.00    +0.120 A 
ATOM     21  C   LIG    1        2.852  -1.169  -1.057  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        1.784  -0.288  -1.272  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        1.119   0.319  -0.194  0.00  0.00    -0.021 A 
ATOM     24  C   LIG    1        1.561   0.032   1.105  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        2.626  -0.846   1.316  0.00  0.00    +0.046 A 
BRANCH  20  27
ATOM     26  C   LIG    1        4.972  -2.962  -0.469  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        4.300  -2.288   0.588  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
ENDBRANCH   1  23
TORSDOF 3