REMARK  Name = BDB025483
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.874  -2.343  -0.254  0.00  0.00    -0.297 NA
ATOM      2  C   LIG    1       -1.509  -1.856  -0.559  0.00  0.00    +0.142 C 
ATOM      3  C   LIG    1       -1.090  -0.757   0.371  0.00  0.00    +0.083 A 
ATOM      4  N   LIG    1       -0.064   0.059   0.129  0.00  0.00    -0.166 NA
ATOM      5  N   LIG    1       -0.001   0.874   1.223  0.00  0.00    -0.185 N 
ATOM      6  C   LIG    1       -1.011   0.560   2.145  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1        0.968   1.895   1.329  0.00  0.00    +0.257 C 
ATOM      8  O   LIG    1        0.928   2.670   2.287  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -1.714  -0.487   1.606  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1       -2.893  -1.252   2.081  0.00  0.00    +0.056 C 
ATOM     11  C   LIG    1       -3.130  -2.496   1.192  0.00  0.00    +0.089 C 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        2.009   2.004   0.232  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1        2.864   0.772  -0.018  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        3.281   0.468  -1.328  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        4.020  -0.701  -1.552  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        4.423  -1.512  -0.490  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        4.072  -1.165   0.809  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        4.584  -2.149   2.125  0.00  0.00    -0.084 Cl
ATOM     19  N   LIG    1        2.868   1.229  -2.432  0.00  0.00    -0.344 N 
ATOM     20  H   LIG    1        3.512   1.156  -3.216  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1        2.445   2.592  -2.151  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1        3.303  -0.029   1.052  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1        1.402   2.594  -1.047  0.00  0.00    +0.036 C 
ENDBRANCH   7  12
BRANCH   6  24
ATOM     24  N   LIG    1       -1.183   1.206   3.320  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1       -0.658   2.066   3.511  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1       -2.038   1.115   3.860  0.00  0.00    +0.144 HD
ENDBRANCH   6  24
BRANCH   1  28
ATOM     27  C   LIG    1       -4.079  -0.184  -0.948  0.00  0.00    +0.020 C 
ATOM     28  C   LIG    1       -3.941  -1.700  -1.021  0.00  0.00    +0.081 C 
ENDBRANCH   1  28
TORSDOF 3