REMARK  Name = BDB024544
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.372  -0.258  -1.163  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.228   0.538  -1.009  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.395   1.963  -1.333  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        3.995   2.256  -2.783  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.675   2.842  -0.314  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.195   2.526  -0.280  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.929   1.046  -0.251  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.643   0.587   0.117  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.449   1.319   0.493  0.00  0.00    -0.230 NA
ATOM     10  C   LIG    1       -1.425   0.461   0.731  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1       -0.978  -0.836   0.536  0.00  0.00    -0.323 N 
ATOM     12  C   LIG    1        0.340  -0.765   0.113  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.275  -1.723  -0.280  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.547  -1.264  -0.653  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.912   0.092  -0.623  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.384   0.119  -1.751  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.710  -2.091   0.693  0.00  0.00    +0.091 C 
ATOM     18  C   LIG    1       -2.685  -2.351  -0.460  0.00  0.00    +0.056 C 
ATOM     19  C   LIG    1       -3.348  -3.722  -0.328  0.00  0.00    +0.117 C 
ATOM     20  C   LIG    1       -4.005  -3.906   1.040  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1       -3.021  -3.660   2.179  0.00  0.00    +0.004 C 
ATOM     22  C   LIG    1       -2.375  -2.280   2.067  0.00  0.00    +0.025 C 
BRANCH  19  23
ATOM     23  O   LIG    1       -4.330  -3.842  -1.348  0.00  0.00    -0.392 OA
ATOM     24  H   LIG    1       -4.733  -4.726  -1.274  0.00  0.00    +0.210 HD
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  26
ATOM     25  C   LIG    1        6.503  -2.246  -0.629  0.00  0.00    +0.282 C 
ATOM     26  O   LIG    1        5.311  -1.466  -0.534  0.00  0.00    -0.453 OA
ENDBRANCH   1  26
BRANCH  10  27
ATOM     27  C   LIG    1       -2.816   0.841   1.162  0.00  0.00    +0.199 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -3.122   2.233   0.833  0.00  0.00    -0.308 N 
ATOM     29  C   LIG    1       -3.173   3.162   1.869  0.00  0.00    +0.252 A 
ATOM     30  O   LIG    1       -3.043   2.900   3.063  0.00  0.00    -0.268 OA
ATOM     31  C   LIG    1       -3.444   4.571   1.468  0.00  0.00    +0.070 A 
ATOM     32  C   LIG    1       -3.634   4.883   0.180  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1       -3.569   3.864  -0.835  0.00  0.00    +0.018 A 
ATOM     34  C   LIG    1       -3.316   2.596  -0.492  0.00  0.00    +0.089 A 
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 5