REMARK  Name = BDB001165
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.467  -0.380   0.198  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.518  -1.308   0.589  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        0.914  -1.004   0.490  0.00  0.00    +0.093 C 
ATOM      4  C   LIG    1        1.598  -2.200   1.173  0.00  0.00    +0.025 C 
ATOM      5  C   LIG    1        0.573  -2.634   2.210  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -0.748  -2.438   1.480  0.00  0.00    +0.108 C 
ATOM      7  O   LIG    1       -1.131   0.711  -0.281  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -2.976  -0.744   0.322  0.00  0.00    +0.164 C 
BRANCH   8  10
ATOM      9  C   LIG    1       -3.560   1.012   1.956  0.00  0.00    +0.230 C 
ATOM     10  N   LIG    1       -3.660   0.508   0.669  0.00  0.00    -0.302 N 
ATOM     11  H   LIG    1       -3.710   1.202  -0.069  0.00  0.00    +0.150 HD
ATOM     12  O   LIG    1       -3.062   0.372   2.881  0.00  0.00    -0.274 OA
BRANCH   9  13
ATOM     13  C   LIG    1       -4.155   2.428   2.122  0.00  0.00    +0.137 C 
ATOM     14  C   LIG    1       -3.326   3.263   3.103  0.00  0.00    +0.034 C 
BRANCH  13  16
ATOM     15  C   LIG    1       -5.875   1.708   3.732  0.00  0.00    +0.101 C 
ATOM     16  N   LIG    1       -5.597   2.359   2.451  0.00  0.00    -0.309 NA
ATOM     17  H   LIG    1       -5.974   3.305   2.481  0.00  0.00    +0.122 HD
ENDBRANCH  13  16
ENDBRANCH   9  13
ENDBRANCH   8  10
BRANCH   8  18
ATOM     18  C   LIG    1       -3.562  -1.385  -0.983  0.00  0.00    -0.011 C 
ATOM     19  C   LIG    1       -3.224  -0.572  -2.251  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1       -3.015  -2.814  -1.172  0.00  0.00    +0.013 C 
ATOM     21  C   LIG    1       -5.098  -1.485  -0.869  0.00  0.00    +0.013 C 
ENDBRANCH   8  18
ENDBRANCH   1   8
BRANCH   3  22
ATOM     22  C   LIG    1        1.429  -0.804  -0.950  0.00  0.00    +0.127 C 
BRANCH  22  23
ATOM     23  N   LIG    1        2.839  -0.451  -0.977  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1        3.134   0.367  -0.454  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        3.735  -1.059  -1.831  0.00  0.00    +0.245 C 
ATOM     26  O   LIG    1        3.487  -2.048  -2.510  0.00  0.00    -0.270 OA
BRANCH  25  27
ATOM     27  C   LIG    1        5.108  -0.496  -1.818  0.00  0.00    +0.044 A 
ATOM     28  C   LIG    1        5.384   0.883  -2.041  0.00  0.00    -0.006 A 
ATOM     29  C   LIG    1        6.731   1.306  -1.926  0.00  0.00    -0.017 A 
ATOM     30  C   LIG    1        7.054   2.665  -2.120  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1        6.073   3.607  -2.446  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        4.751   3.204  -2.581  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        7.741   0.371  -1.626  0.00  0.00    +0.008 A 
ATOM     34  C   LIG    1        7.449  -0.980  -1.447  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1        4.412   1.863  -2.392  0.00  0.00    +0.009 A 
ATOM     36  C   LIG    1        6.135  -1.415  -1.542  0.00  0.00    +0.013 A 
ENDBRANCH  25  27
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 8