REMARK  Name = BDB017381
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.776  -1.327   0.182  0.00  0.00    +0.185 C 
ATOM      2  C   LIG    1       -0.417  -0.822  -0.322  0.00  0.00    +0.241 C 
ATOM      3  O   LIG    1       -0.105   0.366  -0.417  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        0.481  -1.827  -0.568  0.00  0.00    -0.263 N 
ATOM      5  C   LIG    1        0.121  -3.202  -0.377  0.00  0.00    +0.209 C 
ATOM      6  C   LIG    1        1.270  -4.001  -0.980  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1        1.871  -3.044  -2.010  0.00  0.00    +0.036 C 
ATOM      8  O   LIG    1       -1.087  -3.402  -1.080  0.00  0.00    -0.356 OA
ATOM      9  C   LIG    1        1.688  -1.667  -1.370  0.00  0.00    +0.165 C 
ATOM     10  C   LIG    1       -2.176  -2.639  -0.531  0.00  0.00    +0.194 C 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -3.269   0.280  -0.980  0.00  0.00    +0.230 C 
ATOM     12  N   LIG    1       -2.777  -0.271   0.192  0.00  0.00    -0.301 N 
ATOM     13  H   LIG    1       -2.701   0.438   0.920  0.00  0.00    +0.150 HD
ATOM     14  O   LIG    1       -3.115  -0.226  -2.086  0.00  0.00    -0.274 OA
BRANCH  11  15
ATOM     15  C   LIG    1       -4.065   1.585  -0.725  0.00  0.00    +0.137 C 
ATOM     16  C   LIG    1       -4.207   2.381  -2.020  0.00  0.00    +0.034 C 
BRANCH  15  18
ATOM     17  C   LIG    1       -4.187   3.416   0.892  0.00  0.00    +0.101 C 
ATOM     18  N   LIG    1       -3.366   2.342   0.349  0.00  0.00    -0.309 NA
ATOM     19  H   LIG    1       -2.509   2.739  -0.045  0.00  0.00    +0.122 HD
ENDBRANCH  15  18
ENDBRANCH  11  15
ENDBRANCH   1  12
BRANCH   9  20
ATOM     20  C   LIG    1        2.870  -1.223  -0.480  0.00  0.00    +0.238 C 
ATOM     21  N   LIG    1        2.641   0.013   0.106  0.00  0.00    -0.284 N 
ATOM     22  H   LIG    1        1.728   0.431  -0.092  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1        3.887  -1.899  -0.366  0.00  0.00    -0.273 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.486   0.741   0.962  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1        4.760   0.320   1.349  0.00  0.00    +0.025 A 
ATOM     26  C   LIG    1        5.536   1.106   2.208  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        5.040   2.318   2.681  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1        5.995   3.282   3.737  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        3.773   2.751   2.303  0.00  0.00    +0.022 A 
ATOM     30  C   LIG    1        2.999   1.963   1.446  0.00  0.00    +0.025 A 
ENDBRANCH  21  24
ENDBRANCH   9  20
TORSDOF 5