REMARK  Name = BDB043034
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.119   3.691   0.098  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1       -0.229   2.320   0.230  0.00  0.00    +0.163 A 
ATOM      3  N   LIG    1        1.067   1.808   0.177  0.00  0.00    -0.200 N 
ATOM      4  C   LIG    1        1.317   0.419   0.284  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1        0.256  -0.392   0.439  0.00  0.00    +0.087 A 
ATOM      6  C   LIG    1       -1.116   0.224   0.484  0.00  0.00    +0.124 A 
ATOM      7  N   LIG    1        1.992   2.797  -0.009  0.00  0.00    -0.171 NA
ATOM      8  N   LIG    1       -1.321   1.514   0.385  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        1.268   3.915  -0.043  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -1.317   5.447  -1.229  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1       -1.230   4.697   0.102  0.00  0.00    +0.018 C 
ATOM     12  C   LIG    1       -1.094   5.683   1.264  0.00  0.00    +0.012 C 
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  N   LIG    1       -2.188  -0.627   0.638  0.00  0.00    -0.329 N 
ATOM     14  H   LIG    1       -2.038  -1.607   0.389  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -3.556  -0.202   0.400  0.00  0.00    +0.109 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.531  -1.369   0.627  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1       -4.371  -2.497  -0.408  0.00  0.00    +0.133 C 
ATOM     18  C   LIG    1       -5.375  -3.636  -0.117  0.00  0.00    +0.112 C 
ATOM     19  N   LIG    1       -6.666  -3.208   0.427  0.00  0.00    -0.314 NA
ATOM     20  H   LIG    1       -7.400  -3.853   0.136  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -6.996  -1.843   0.051  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1       -5.986  -0.854   0.638  0.00  0.00    +0.023 C 
BRANCH  17  23
ATOM     23  O   LIG    1       -3.033  -3.009  -0.389  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1       -3.007  -3.764  -1.006  0.00  0.00    +0.210 HD
ENDBRANCH  17  23
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   4  25
ATOM     25  N   LIG    1        2.654   0.009   0.229  0.00  0.00    -0.322 N 
ATOM     26  H   LIG    1        3.245   0.799  -0.053  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1        3.115  -1.263  -0.309  0.00  0.00    +0.177 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.586  -1.468  -0.204  0.00  0.00    +0.123 A 
ATOM     29  O   LIG    1        5.177  -2.181  -1.208  0.00  0.00    -0.458 OA
ATOM     30  C   LIG    1        6.506  -2.252  -0.918  0.00  0.00    +0.135 A 
ATOM     31  C   LIG    1        6.778  -1.590   0.274  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        8.105  -1.558   0.737  0.00  0.00    +0.011 A 
ATOM     33  C   LIG    1        9.098  -2.195  -0.022  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        8.784  -2.850  -1.216  0.00  0.00    +0.004 A 
ATOM     35  C   LIG    1        7.469  -2.893  -1.693  0.00  0.00    +0.047 A 
ATOM     36  C   LIG    1        5.531  -1.089   0.729  0.00  0.00    +0.054 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   4  25
TORSDOF 8