REMARK  Name = BDB055102
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.111  -0.950  -0.068  0.00  0.00    +0.144 A 
ATOM      2  N   LIG    1        1.750  -1.021  -0.198  0.00  0.00    -0.335 N 
ATOM      3  H   LIG    1        1.143  -0.260  -0.465  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        1.351  -2.300   0.094  0.00  0.00    +0.108 A 
ATOM      5  C   LIG    1        2.543  -2.951   0.394  0.00  0.00    +0.180 A 
ATOM      6  N   LIG    1        2.615  -4.253   0.743  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1        1.419  -4.881   0.776  0.00  0.00    +0.135 A 
ATOM      8  C   LIG    1        0.184  -4.302   0.490  0.00  0.00    +0.082 A 
ATOM      9 CL   LIG    1       -1.234  -5.287   0.593  0.00  0.00    -0.080 Cl
ATOM     10  C   LIG    1        0.104  -2.941   0.126  0.00  0.00    +0.077 A 
ATOM     11  N   LIG    1        3.615  -2.111   0.291  0.00  0.00    -0.208 NA
ENDROOT
BRANCH  10  12
ATOM     12  N   LIG    1       -1.127  -2.333  -0.167  0.00  0.00    -0.325 N 
ATOM     13  C   LIG    1       -1.275  -1.924  -1.578  0.00  0.00    +0.120 C 
ATOM     14  C   LIG    1       -2.716  -1.427  -1.836  0.00  0.00    +0.103 C 
ATOM     15  N   LIG    1       -3.105  -0.328  -0.921  0.00  0.00    -0.294 NA
ATOM     16  C   LIG    1       -2.962  -0.796   0.478  0.00  0.00    +0.103 C 
ATOM     17  C   LIG    1       -1.526  -1.282   0.788  0.00  0.00    +0.120 C 
BRANCH  15  18
ATOM     18  C   LIG    1       -4.482   0.110  -1.221  0.00  0.00    +0.143 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.811   1.403  -0.538  0.00  0.00    +0.098 A 
ATOM     20  N   LIG    1       -4.345   2.570  -1.005  0.00  0.00    -0.082 NA
ATOM     21  O   LIG    1       -4.847   3.543  -0.160  0.00  0.00    -0.360 OA
ATOM     22  C   LIG    1       -5.615   2.961   0.798  0.00  0.00    +0.135 A 
ATOM     23  C   LIG    1       -6.231   3.867   1.781  0.00  0.00    +0.089 C 
ATOM     24  C   LIG    1       -5.630   1.603   0.601  0.00  0.00    +0.072 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH  10  12
BRANCH   1  28
ATOM     25  N   LIG    1        5.642   1.694  -0.486  0.00  0.00    -0.271 N 
ATOM     26  N   LIG    1        4.574   2.456  -0.803  0.00  0.00    -0.179 NA
ATOM     27  C   LIG    1        3.543   1.612  -0.693  0.00  0.00    +0.146 A 
ATOM     28  C   LIG    1        3.952   0.324  -0.311  0.00  0.00    +0.055 A 
ATOM     29  C   LIG    1        5.317   0.404  -0.185  0.00  0.00    +0.119 A 
BRANCH  25  31
ATOM     30  C   LIG    1        7.293   2.997   0.797  0.00  0.00    +0.029 C 
ATOM     31  C   LIG    1        6.972   2.272  -0.497  0.00  0.00    +0.140 C 
ENDBRANCH  25  31
ENDBRANCH   1  28
TORSDOF 5