REMARK  Name = BDB014062
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.173   1.372  -1.093  0.00  0.00    -0.292 NA
ATOM      2  C   LIG    1        1.018   2.185  -0.651  0.00  0.00    +0.104 C 
ATOM      3  C   LIG    1       -0.352   1.497  -0.830  0.00  0.00    +0.123 C 
ATOM      4  N   LIG    1       -0.405   0.250  -0.043  0.00  0.00    -0.299 N 
ATOM      5  C   LIG    1        0.852  -0.508   0.017  0.00  0.00    +0.123 C 
ATOM      6  C   LIG    1        1.851  -0.068  -1.074  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.627  -0.246   0.364  0.00  0.00    +0.200 A 
ATOM      8  N   LIG    1       -1.631  -1.317   1.210  0.00  0.00    -0.295 N 
ATOM      9  H   LIG    1       -0.774  -1.689   1.573  0.00  0.00    +0.172 HD
ATOM     10  C   LIG    1       -2.770  -1.857   1.716  0.00  0.00    +0.258 A 
ATOM     11  O   LIG    1       -2.743  -2.769   2.537  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1       -4.025  -1.270   1.223  0.00  0.00    +0.057 A 
ATOM     13  C   LIG    1       -5.309  -1.881   1.696  0.00  0.00    +0.045 C 
ATOM     14  C   LIG    1       -6.504  -1.436   0.859  0.00  0.00    +0.024 C 
ATOM     15  C   LIG    1       -6.424   0.056   0.568  0.00  0.00    +0.106 C 
ATOM     16  N   LIG    1       -5.146   0.359  -0.081  0.00  0.00    -0.318 N 
ATOM     17  C   LIG    1       -5.107   1.615  -0.828  0.00  0.00    +0.130 C 
ATOM     18  C   LIG    1       -3.950  -0.219   0.381  0.00  0.00    +0.133 A 
ATOM     19  N   LIG    1       -2.740   0.293  -0.027  0.00  0.00    -0.200 NA
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1        3.368   1.712  -0.284  0.00  0.00    +0.160 C 
BRANCH  20  23
ATOM     21  C   LIG    1        6.327  -0.428  -0.736  0.00  0.00    +0.218 A 
ATOM     22  N   LIG    1        5.168   0.038  -0.239  0.00  0.00    -0.197 NA
ATOM     23  C   LIG    1        4.690   1.165  -0.809  0.00  0.00    +0.147 A 
ATOM     24  N   LIG    1        5.299   1.831  -1.812  0.00  0.00    -0.239 NA
ATOM     25  C   LIG    1        6.454   1.312  -2.267  0.00  0.00    +0.118 A 
ATOM     26  C   LIG    1        7.020   0.171  -1.759  0.00  0.00    +0.087 A 
BRANCH  21  28
ATOM     27  C   LIG    1        6.129  -2.142   0.849  0.00  0.00    +0.279 C 
ATOM     28  O   LIG    1        6.888  -1.578  -0.215  0.00  0.00    -0.480 OA
ENDBRANCH  21  28
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 4