REMARK  Name = BDB014761
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.217   1.089  -0.239  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.328   1.935  -0.152  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -5.172   2.529  -0.197  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -5.353   1.117   0.302  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.213   0.328   0.401  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -2.852   0.899   0.324  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -1.841  -0.165   0.089  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -0.443  -0.094  -0.161  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1        0.066  -1.324  -0.304  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -0.974  -2.162  -0.159  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -0.752  -3.582  -0.276  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -2.136  -1.511   0.100  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -3.483  -2.082   0.333  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -4.356  -1.010   1.016  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -6.478   0.707   0.588  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        1.590   1.386  -0.412  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1        2.601   0.416  -0.434  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1        3.952   0.752  -0.629  0.00  0.00    -0.013 A 
ATOM     19  C   LIG    1        4.291   2.097  -0.811  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        3.303   3.081  -0.796  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        1.967   2.726  -0.601  0.00  0.00    +0.023 A 
BRANCH  18  22
ATOM     22  C   LIG    1        4.965  -0.293  -0.652  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1        6.303  -0.123  -0.359  0.00  0.00    +0.113 A 
ATOM     24  N   LIG    1        6.885  -1.351  -0.487  0.00  0.00    -0.284 N 
ATOM     25  H   LIG    1        7.858  -1.602  -0.344  0.00  0.00    +0.188 HD
ATOM     26  N   LIG    1        6.026  -2.319  -0.843  0.00  0.00    -0.182 NA
ATOM     27  C   LIG    1        4.859  -1.676  -0.938  0.00  0.00    +0.142 A 
ENDBRANCH  18  22
ENDBRANCH   1  16
TORSDOF 3