REMARK  Name = BDB049265
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.240   0.198  -0.211  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.945  -0.947   0.259  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        2.306  -0.960   0.080  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        2.727  -2.170   0.545  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.708  -2.835   1.042  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        3.013   0.096  -0.502  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        2.369   1.142  -0.943  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.580  -2.064   0.857  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.997   1.169  -0.774  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -4.026   0.729   0.153  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1       -3.258   0.292   1.240  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -1.875   0.121   1.116  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -1.224   0.393  -0.094  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1       -1.995   0.826  -1.183  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -3.378   0.998  -1.059  0.00  0.00    +0.005 A 
BRANCH  10  16
ATOM     16  C   LIG    1       -5.525   0.910   0.287  0.00  0.00    +0.119 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -6.164  -1.369   0.911  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1       -6.369  -0.256  -0.011  0.00  0.00    -0.304 NA
ATOM     19  C   LIG    1       -6.276  -0.700  -1.397  0.00  0.00    +0.104 C 
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1        4.383   0.035  -0.638  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1        4.656   0.773  -1.291  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        5.220   0.214   0.557  0.00  0.00    +0.163 C 
BRANCH  22  23
ATOM     23  C   LIG    1        6.694   0.167   0.304  0.00  0.00    +0.101 A 
ATOM     24  N   LIG    1        7.415   1.296   0.272  0.00  0.00    -0.082 NA
ATOM     25  O   LIG    1        8.715   0.900   0.005  0.00  0.00    -0.363 OA
ATOM     26  C   LIG    1        8.758  -0.449  -0.129  0.00  0.00    +0.230 A 
ATOM     27  C   LIG    1        7.502  -0.967   0.047  0.00  0.00    +0.069 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6