REMARK  Name = BDB016523
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.953  -2.639   3.135  0.00  0.00    +0.172 C 
ATOM      2  N   LIG    1        3.658  -1.507   2.291  0.00  0.00    -0.272 N 
ATOM      3  N   LIG    1        2.884  -1.674   1.218  0.00  0.00    -0.165 NA
ATOM      4  C   LIG    1        2.772  -0.441   0.668  0.00  0.00    +0.168 A 
ATOM      5  C   LIG    1        2.035  -0.274  -0.596  0.00  0.00    +0.266 C 
ATOM      6  N   LIG    1        0.829  -0.931  -0.801  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1        0.539  -0.818  -1.761  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1        0.288  -2.060  -0.061  0.00  0.00    +0.104 C 
ATOM      9  C   LIG    1       -1.242  -2.144  -0.039  0.00  0.00    +0.021 C 
ATOM     10  C   LIG    1       -1.930  -1.974  -1.392  0.00  0.00    +0.035 C 
ATOM     11  C   LIG    1       -3.465  -2.067  -1.368  0.00  0.00    +0.145 C 
ATOM     12  C   LIG    1       -4.252  -0.749  -1.165  0.00  0.00    +0.164 C 
ATOM     13  C   LIG    1       -4.182  -0.082   0.218  0.00  0.00    +0.177 C 
ATOM     14  N   LIG    1       -3.010   0.723   0.493  0.00  0.00    -0.268 N 
ATOM     15  N   LIG    1       -2.517   0.755   1.748  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -1.368   1.427   1.620  0.00  0.00    +0.144 A 
ATOM     17  C   LIG    1       -1.165   1.904   0.310  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -0.031   2.600  -0.263  0.00  0.00    +0.075 A 
ATOM     19  N   LIG    1        1.145   2.426   0.389  0.00  0.00    -0.242 NA
ATOM     20  C   LIG    1        2.240   2.980  -0.191  0.00  0.00    +0.126 A 
ATOM     21  C   LIG    1        3.538   2.887   0.520  0.00  0.00    +0.267 C 
ATOM     22  N   LIG    1        3.912   1.840   1.322  0.00  0.00    -0.277 N 
ATOM     23  H   LIG    1        4.707   2.105   1.891  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        4.305   3.856   0.457  0.00  0.00    -0.268 OA
ATOM     25  C   LIG    1        2.198   3.746  -1.356  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1        0.976   3.930  -1.986  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -0.157   3.346  -1.435  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -2.284   1.482  -0.381  0.00  0.00    +0.118 A 
ATOM     29  O   LIG    1        2.464   0.423  -1.520  0.00  0.00    -0.268 OA
ATOM     30  C   LIG    1        3.562   0.504   1.409  0.00  0.00    +0.084 A 
ATOM     31  C   LIG    1        4.112  -0.240   2.436  0.00  0.00    +0.132 A 
ENDROOT
BRANCH  12  32
ATOM     32  O   LIG    1       -5.644  -1.072  -1.401  0.00  0.00    -0.387 OA
ATOM     33  H   LIG    1       -5.812  -1.887  -0.885  0.00  0.00    +0.210 HD
ENDBRANCH  12  32
BRANCH  11  34
ATOM     34  O   LIG    1       -3.933  -3.031  -0.421  0.00  0.00    -0.389 OA
ATOM     35  H   LIG    1       -3.503  -3.880  -0.630  0.00  0.00    +0.210 HD
ENDBRANCH  11  34
TORSDOF 2