REMARK  Name = BDB014953
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.761  -4.336   0.949  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.292  -4.057   0.764  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.928  -2.778   0.362  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.490  -2.576   0.101  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.161  -1.128   0.035  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.913  -0.459  -0.060  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.100   0.864  -0.114  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.429   1.049  -0.025  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -3.109  -0.128   0.037  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.572  -0.350   0.125  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.873  -1.817  -0.251  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.462  -4.942   0.977  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -2.972   2.384  -0.025  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -2.893   3.077  -1.371  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -3.029   4.484  -1.105  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -2.751   4.705   0.287  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -2.274   3.391   0.870  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        0.265  -1.129  -0.092  0.00  0.00    -0.298 N 
ATOM     19  H   LIG    1        0.225  -2.138  -0.014  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.601  -0.674  -0.182  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        1.963   0.673  -0.279  0.00  0.00    +0.044 A 
ATOM     22  C   LIG    1        3.307   1.067  -0.370  0.00  0.00    +0.051 A 
ATOM     23 CL   LIG    1        3.623   2.769  -0.446  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1        4.332   0.110  -0.368  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        3.976  -1.242  -0.271  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        2.633  -1.625  -0.181  0.00  0.00    +0.024 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.739   0.452  -0.476  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1        6.720   0.009   0.387  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1        7.891   0.547  -0.062  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1        9.201   0.387   0.521  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1        7.749   1.292  -1.173  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        6.436   1.241  -1.417  0.00  0.00    +0.143 A 
ENDBRANCH  24  27
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4