REMARK  Name = BDB003355
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.477   0.930   0.590  0.00  0.00    -0.266 N 
ATOM      2  C   LIG    1        0.785   0.367   0.349  0.00  0.00    +0.089 C 
ATOM      3  C   LIG    1        1.900   1.105   0.414  0.00  0.00    +0.020 C 
ATOM      4  C   LIG    1        3.235   0.917  -0.158  0.00  0.00    +0.098 C 
ATOM      5  N   LIG    1        3.822   2.042  -0.478  0.00  0.00    -0.183 NA
ATOM      6  N   LIG    1        2.913   3.060  -0.142  0.00  0.00    -0.247 N 
ATOM      7  C   LIG    1        3.475   4.381   0.052  0.00  0.00    +0.153 C 
ATOM      8  C   LIG    1        1.888   2.554   0.779  0.00  0.00    +0.149 C 
ATOM      9  C   LIG    1        0.526   3.151   0.615  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1       -0.550   2.337   0.583  0.00  0.00    +0.080 C 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -4.001   0.090   0.224  0.00  0.00    +0.128 A 
ATOM     12  N   LIG    1       -2.845   0.781   0.241  0.00  0.00    -0.225 NA
ATOM     13  C   LIG    1       -1.693   0.141   0.603  0.00  0.00    +0.156 A 
ATOM     14  C   LIG    1       -1.679  -1.230   1.004  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1       -2.923  -1.902   0.968  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -2.987  -3.251   1.350  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1       -1.843  -3.916   1.765  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -0.666  -3.205   1.789  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1       -0.571  -1.907   1.427  0.00  0.00    -0.252 NA
ATOM     20  C   LIG    1       -4.088  -1.243   0.571  0.00  0.00    +0.043 A 
BRANCH  11  24
ATOM     21  C   LIG    1       -7.228   0.868  -1.593  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1       -6.097   0.175  -1.027  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1       -5.754  -0.638  -1.521  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1       -5.221   0.852  -0.190  0.00  0.00    +0.262 C 
ATOM     25  O   LIG    1       -5.407   2.002   0.190  0.00  0.00    -0.269 OA
ENDBRANCH  11  24
ENDBRANCH   1  13
BRANCH   4  26
ATOM     26  C   LIG    1        3.830  -0.374  -0.342  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        4.971  -0.640  -1.077  0.00  0.00    +0.118 A 
ATOM     28  N   LIG    1        5.194  -1.980  -0.984  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        6.269  -2.725  -1.592  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        4.287  -2.621  -0.227  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        3.467  -1.643   0.169  0.00  0.00    +0.144 A 
ENDBRANCH   4  26
TORSDOF 3