REMARK  Name = BDB050184
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.226   0.200   0.415  0.00  0.00    +0.008 C 
ATOM      2  C   LIG    1        0.973  -0.846  -0.692  0.00  0.00    +0.088 C 
ATOM      3  N   LIG    1       -0.156  -0.602  -1.590  0.00  0.00    -0.302 NA
ATOM      4  C   LIG    1        0.170   0.245  -2.729  0.00  0.00    +0.105 C 
ATOM      5  C   LIG    1       -1.403  -0.188  -0.917  0.00  0.00    +0.064 C 
ATOM      6  C   LIG    1       -1.293  -0.119   0.617  0.00  0.00    +0.011 C 
ATOM      7  C   LIG    1       -2.591   0.454   1.206  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -3.849  -0.187   0.658  0.00  0.00    -0.002 A 
ATOM      9  C   LIG    1       -5.079   0.008   1.323  0.00  0.00    +0.124 A 
ATOM     10  C   LIG    1       -6.245  -0.566   0.808  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -6.201  -1.323  -0.362  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.994  -1.504  -1.031  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -3.814  -0.929  -0.540  0.00  0.00    -0.039 A 
ATOM     14  C   LIG    1       -2.525  -1.172  -1.292  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1       -0.090   0.747   1.003  0.00  0.00    +0.010 C 
ENDROOT
BRANCH   9  16
ATOM     16  O   LIG    1       -5.027   0.777   2.458  0.00  0.00    -0.495 OA
ATOM     17  C   LIG    1       -6.242   0.983   3.167  0.00  0.00    +0.277 C 
ENDBRANCH   9  16
BRANCH   1  18
ATOM     18  C   LIG    1        2.142   1.369  -0.002  0.00  0.00    +0.040 C 
BRANCH  18  21
ATOM     19  C   LIG    1        5.732   0.086   0.272  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        4.432   0.479   0.603  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1        3.545   0.955  -0.375  0.00  0.00    -0.044 A 
ATOM     22  C   LIG    1        3.986   1.040  -1.699  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        5.283   0.650  -2.036  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        6.154   0.173  -1.054  0.00  0.00    +0.045 A 
BRANCH  19  26
ATOM     25  C   LIG    1        7.810  -0.775   1.042  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        6.480  -0.359   1.328  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4