REMARK  Name = BDB015766
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.742  -0.997   0.007  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -1.445  -0.020   0.598  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.809   1.149   0.784  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.493   1.347   0.367  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        1.137   0.281  -0.232  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.521  -0.891  -0.425  0.00  0.00    -0.180 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.620   2.218   1.422  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.057   3.083   2.289  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -1.784   4.087   2.915  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -1.091   4.975   3.835  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.150   4.262   2.704  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -3.840   5.133   3.225  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.785   3.295   1.774  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.053   2.342   1.186  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        2.454   0.482  -0.690  0.00  0.00    -0.329 N 
ATOM     16  H   LIG    1        3.018   0.861   0.066  0.00  0.00    +0.147 HD
BRANCH  15  17
ATOM     17  C   LIG    1        3.076  -0.700  -1.288  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.482  -0.330  -1.773  0.00  0.00    +0.021 C 
BRANCH  18  19
ATOM     19  C   LIG    1        5.178  -1.457  -2.557  0.00  0.00    -0.016 C 
ATOM     20  C   LIG    1        5.415  -2.703  -1.702  0.00  0.00    +0.007 C 
ATOM     21  C   LIG    1        6.510  -0.954  -3.117  0.00  0.00    +0.007 C 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  22
ATOM     22  O   LIG    1       -1.335  -2.233  -0.227  0.00  0.00    -0.422 OA
BRANCH  22  25
ATOM     23  C   LIG    1       -3.507  -1.799  -2.022  0.00  0.00    +0.047 C 
ATOM     24  C   LIG    1       -3.704  -2.212  -0.592  0.00  0.00    -0.007 A 
ATOM     25  C   LIG    1       -2.608  -2.392   0.272  0.00  0.00    +0.153 A 
ATOM     26  C   LIG    1       -2.807  -2.791   1.601  0.00  0.00    +0.084 A 
ATOM     27 CL   LIG    1       -1.481  -3.090   2.667  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1       -4.102  -2.966   2.088  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1       -5.197  -2.757   1.249  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -4.999  -2.383  -0.082  0.00  0.00    +0.007 A 
ENDBRANCH  22  25
ENDBRANCH   1  22
TORSDOF 7