REMARK  Name = BDB014863
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.603   5.156   0.006  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -1.858   4.400  -0.352  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -1.793   3.012  -0.325  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -0.509   2.284  -0.241  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -0.727   0.869   0.157  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        0.191  -0.170   0.473  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.466  -1.298   0.770  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.774  -0.997   0.644  0.00  0.00    -0.259 N 
ATOM      9  C   LIG    1       -1.974   0.295   0.270  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -3.258   0.995   0.026  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -2.971   2.260  -0.808  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.885   5.016  -0.638  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        1.533   0.025   0.449  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        1.868   0.942   0.187  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.615  -0.839   0.743  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        3.926  -0.356   0.564  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        5.052  -1.152   0.834  0.00  0.00    -0.049 A 
ATOM     18  C   LIG    1        6.434  -0.617   0.602  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        4.864  -2.466   1.266  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        3.576  -2.963   1.446  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        2.465  -2.155   1.188  0.00  0.00    +0.023 A 
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  22
ATOM     22  C   LIG    1       -2.774  -2.019   0.914  0.00  0.00    +0.219 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.163  -2.706  -0.334  0.00  0.00    +0.146 A 
ATOM     24  O   LIG    1       -4.497  -2.756  -0.644  0.00  0.00    -0.446 OA
ATOM     25  C   LIG    1       -4.531  -3.443  -1.819  0.00  0.00    +0.308 A 
ATOM     26  N   LIG    1       -3.360  -3.826  -2.275  0.00  0.00    -0.224 NA
ATOM     27  C   LIG    1       -2.479  -3.361  -1.333  0.00  0.00    +0.157 A 
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 4