REMARK  Name = BDB002157
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.437   0.030  -0.300  0.00  0.00    +0.166 A 
ATOM      2  N   LIG    1       -1.320   0.290   0.726  0.00  0.00    -0.200 N 
ATOM      3  C   LIG    1       -2.611   0.239   0.245  0.00  0.00    +0.135 A 
ATOM      4  C   LIG    1       -2.454  -0.074  -1.096  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1       -3.454  -0.280  -2.171  0.00  0.00    +0.068 C 
ATOM      6  N   LIG    1       -1.121  -0.208  -1.408  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        3.858  -0.152  -0.123  0.00  0.00    +0.120 A 
ATOM      8  C   LIG    1        3.143  -0.833  -1.108  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        1.747  -0.763  -1.151  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        1.030  -0.016  -0.205  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        1.760   0.676   0.771  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        3.160   0.606   0.815  0.00  0.00    +0.046 A 
BRANCH   7  14
ATOM     13  C   LIG    1        5.986   0.367   0.799  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        5.215  -0.302  -0.191  0.00  0.00    -0.495 OA
ENDBRANCH   7  14
ENDBRANCH   1  10
BRANCH   3  15
ATOM     15  C   LIG    1       -3.769   0.473   1.073  0.00  0.00    +0.180 C 
ATOM     16  O   LIG    1       -3.645   0.710   2.277  0.00  0.00    -0.291 OA
ATOM     17  C   LIG    1       -5.141   0.424   0.456  0.00  0.00    +0.093 C 
ENDBRANCH   3  15
BRANCH   2  18
ATOM     18  O   LIG    1       -0.965   0.535   2.058  0.00  0.00    -0.280 OA
ATOM     19  H   LIG    1       -1.844   0.623   2.479  0.00  0.00    +0.245 HD
ENDBRANCH   2  18
TORSDOF 4