REMARK  Name = BDB014000
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.240   0.928   0.270  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.336   0.255  -0.753  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        0.828  -0.608  -1.497  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -1.008   0.623  -0.829  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -1.698   1.597  -0.008  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.113   2.708   0.642  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -1.938   3.564   1.426  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -3.303   3.360   1.575  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -3.887   2.288   0.935  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.318   3.194   0.597  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -3.098   1.433   0.161  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.351   2.381  -0.143  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.470   0.394   1.226  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.542   0.263   0.223  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.675  -0.397  -0.539  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        3.293   1.161   2.173  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.777  -0.422   1.032  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        4.520  -1.894   0.709  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        5.304  -0.983   3.379  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.687  -0.228   2.189  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        5.642   0.767   2.431  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.779  -0.097  -1.863  0.00  0.00    +0.149 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.429  -1.414  -1.449  0.00  0.00    -0.027 A 
ATOM     24  C   LIG    1       -3.373  -2.035  -2.302  0.00  0.00    -0.046 A 
ATOM     25  C   LIG    1       -3.772  -1.425  -3.620  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -3.974  -3.244  -1.911  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -3.640  -3.850  -0.703  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -2.700  -3.257   0.130  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -2.099  -2.053  -0.240  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5