REMARK  Name = BDB013999
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.665  -1.096  -1.002  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        1.020  -1.150   0.399  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        1.697  -0.878   1.398  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.331  -1.509   0.461  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -0.991  -2.225  -0.597  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.311  -3.196  -1.367  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -0.985  -3.868  -2.403  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -2.323  -3.599  -2.674  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -3.001  -2.655  -1.914  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        1.116  -3.585  -1.074  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -2.341  -1.978  -0.885  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        2.104  -2.488  -1.449  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        2.676   1.148  -1.189  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.824  -0.202  -0.929  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        3.490  -0.434  -0.201  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        1.661   1.630  -1.689  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        3.878   2.014  -0.747  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        3.559   2.568   0.642  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        5.149   3.996  -1.442  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        4.112   3.038  -1.781  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        3.227   3.517  -1.968  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -0.995  -1.420   1.771  0.00  0.00    +0.149 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.108  -0.396   1.919  0.00  0.00    -0.027 A 
ATOM     24  C   LIG    1       -1.950   0.983   1.666  0.00  0.00    -0.046 A 
ATOM     25  C   LIG    1       -0.650   1.579   1.201  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -3.052   1.844   1.829  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -4.291   1.374   2.279  0.00  0.00    -0.050 A 
ATOM     28  C   LIG    1       -5.454   2.311   2.415  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1       -4.438   0.014   2.547  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -3.359  -0.855   2.379  0.00  0.00    +0.006 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5