REMARK  Name = BDB032295
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.680   0.758   0.367  0.00  0.00    +0.119 A 
ATOM      2  N   LIG    1       -0.067   1.282  -0.712  0.00  0.00    -0.240 NA
ATOM      3  C   LIG    1        1.271   1.479  -0.653  0.00  0.00    +0.118 A 
ATOM      4  C   LIG    1        2.058   1.184   0.452  0.00  0.00    -0.012 A 
ATOM      5  C   LIG    1        1.415   0.627   1.555  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        0.037   0.412   1.510  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -2.065   0.505   0.359  0.00  0.00    -0.329 N 
ATOM      8  H   LIG    1       -2.466   0.940   1.183  0.00  0.00    +0.147 HD
BRANCH   7   9
ATOM      9  C   LIG    1       -2.744   0.921  -0.869  0.00  0.00    +0.106 C 
BRANCH   9  14
ATOM     10  C   LIG    1       -8.110  -0.980  -0.091  0.00  0.00    +0.104 C 
ATOM     11  N   LIG    1       -6.795  -0.475  -0.472  0.00  0.00    -0.305 NA
ATOM     12  C   LIG    1       -5.739  -1.447  -0.193  0.00  0.00    +0.084 C 
ATOM     13  C   LIG    1       -4.424  -1.013  -0.853  0.00  0.00    +0.020 C 
ATOM     14  C   LIG    1       -4.227   0.516  -0.858  0.00  0.00    +0.008 C 
ATOM     15  C   LIG    1       -5.030   1.159   0.278  0.00  0.00    +0.020 C 
ATOM     16  C   LIG    1       -6.525   0.827   0.155  0.00  0.00    +0.084 C 
ENDBRANCH   9  14
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  C   LIG    1        3.541   1.425   0.432  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  N   LIG    1        4.185   0.400  -0.380  0.00  0.00    -0.338 N 
ATOM     19  H   LIG    1        3.767  -0.519  -0.256  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1        5.584   0.340  -0.333  0.00  0.00    +0.055 A 
ATOM     21  C   LIG    1        6.284  -0.887  -0.282  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        7.685  -0.880  -0.247  0.00  0.00    +0.068 A 
ATOM     23  N   LIG    1        8.105  -2.190  -0.191  0.00  0.00    -0.344 N 
ATOM     24  H   LIG    1        9.066  -2.501  -0.160  0.00  0.00    +0.167 HD
ATOM     25  C   LIG    1        7.021  -3.008  -0.191  0.00  0.00    +0.108 A 
ATOM     26 CL   LIG    1        7.282  -4.682  -0.127  0.00  0.00    -0.064 Cl
ATOM     27  C   LIG    1        8.422   0.295  -0.271  0.00  0.00    +0.137 A 
ATOM     28  N   LIG    1        7.771   1.473  -0.344  0.00  0.00    -0.259 NA
ATOM     29  C   LIG    1        5.879  -2.260  -0.247  0.00  0.00    +0.050 A 
ATOM     30  C   LIG    1        6.415   1.467  -0.386  0.00  0.00    +0.134 A 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 6