REMARK  Name = BDB023665
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.326  -0.885   0.480  0.00  0.00    +0.003 A 
ATOM      2  C   LIG    1       -0.365  -0.219   1.251  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1        0.985  -0.491   1.053  0.00  0.00    +0.056 A 
ATOM      4  N   LIG    1        1.965   0.166   1.804  0.00  0.00    -0.283 N 
ATOM      5  H   LIG    1        1.703   0.719   2.611  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1        3.312   0.031   1.573  0.00  0.00    +0.225 C 
ATOM      7  C   LIG    1        3.714  -0.621   0.246  0.00  0.00    +0.070 C 
ATOM      8  C   LIG    1        3.629   0.425  -0.881  0.00  0.00    +0.133 C 
ATOM      9  N   LIG    1        5.022   0.917  -1.101  0.00  0.00    -0.268 N 
ATOM     10  C   LIG    1        5.925   0.249  -0.133  0.00  0.00    +0.117 C 
ATOM     11  C   LIG    1        2.802  -1.825  -0.016  0.00  0.00    +0.075 C 
ATOM     12  C   LIG    1        5.189  -1.030   0.236  0.00  0.00    +0.038 C 
ATOM     13  O   LIG    1        4.120   0.487   2.378  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        1.350  -1.448   0.108  0.00  0.00    +0.063 A 
ATOM     15  N   LIG    1        0.453  -2.115  -0.649  0.00  0.00    -0.257 NA
ATOM     16  C   LIG    1       -0.855  -1.817  -0.448  0.00  0.00    +0.119 A 
ENDROOT
BRANCH   1  21
ATOM     17  C   LIG    1       -6.652   1.103  -1.754  0.00  0.00    +0.173 C 
ATOM     18  N   LIG    1       -5.306   0.689  -1.435  0.00  0.00    -0.267 N 
ATOM     19  C   LIG    1       -4.872   0.170  -0.239  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1       -3.510  -0.074  -0.415  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1       -2.755  -0.621   0.649  0.00  0.00    -0.006 A 
ATOM     22  C   LIG    1       -3.422  -0.890   1.860  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1       -4.786  -0.636   2.011  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1       -3.251   0.354  -1.740  0.00  0.00    +0.143 A 
ATOM     25  C   LIG    1       -5.539  -0.102   0.963  0.00  0.00    +0.028 A 
ATOM     26  N   LIG    1       -4.338   0.813  -2.362  0.00  0.00    -0.179 NA
ENDBRANCH   1  21
BRANCH   9  27
ATOM     27  C   LIG    1        5.317   2.066  -1.724  0.00  0.00    +0.169 C 
ATOM     28  N   LIG    1        5.565   3.061  -2.260  0.00  0.00    -0.174 NA
ENDBRANCH   9  27
TORSDOF 2