REMARK  Name = BDB014235
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.727   0.212   0.203  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1       -2.561  -0.420  -0.239  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -2.626  -1.599  -0.972  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1       -1.300  -1.994  -1.272  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -0.445  -1.056  -0.722  0.00  0.00    +0.056 A 
ATOM      6  N   LIG    1       -3.790  -2.205  -1.303  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1       -4.903  -1.580  -0.867  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1       -1.230  -0.112  -0.101  0.00  0.00    -0.353 N 
ATOM      9  H   LIG    1       -0.877   0.700   0.396  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1       -4.933  -0.406  -0.133  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1       -4.740   2.033   1.382  0.00  0.00    -0.245 OA
ATOM     12  C   LIG    1       -3.742   1.461   0.984  0.00  0.00    +0.339 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -2.512   1.948   1.235  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1       -2.694   2.763   1.751  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   5  15
ATOM     15  C   LIG    1        1.046  -0.976  -0.737  0.00  0.00    +0.282 C 
BRANCH  15  16
ATOM     16  O   LIG    1        1.422   0.120   0.096  0.00  0.00    -0.486 OA
BRANCH  16  17
ATOM     17  C   LIG    1        2.761   0.370   0.222  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        3.076   1.447   1.056  0.00  0.00    +0.045 A 
ATOM     19  C   LIG    1        4.405   1.814   1.274  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        5.430   1.103   0.656  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.125   0.029  -0.177  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        3.793  -0.339  -0.395  0.00  0.00    +0.045 A 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 5