REMARK  Name = BDB041071
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.183  -1.633   1.109  0.00  0.00    +0.169 A 
ATOM      2  N   LIG    1       -2.051  -1.324   0.446  0.00  0.00    -0.209 NA
ATOM      3  C   LIG    1       -1.196  -2.322   0.157  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1        0.013  -2.021  -0.516  0.00  0.00    -0.309 N 
ATOM      5  C   LIG    1        0.555  -3.210  -1.180  0.00  0.00    +0.147 C 
ATOM      6  C   LIG    1        0.609  -4.364  -0.178  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -0.695  -4.727   0.288  0.00  0.00    -0.485 OA
ATOM      8  C   LIG    1       -1.477  -3.634   0.548  0.00  0.00    +0.178 A 
ATOM      9  C   LIG    1       -2.662  -3.842   1.220  0.00  0.00    +0.162 A 
ATOM     10  N   LIG    1       -3.531  -2.863   1.527  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -4.969  -0.011   0.524  0.00  0.00    +0.229 A 
ATOM     12  C   LIG    1       -4.073  -0.539   1.440  0.00  0.00    +0.102 A 
ATOM     13  C   LIG    1       -4.079   0.057   2.700  0.00  0.00    +0.062 A 
ATOM     14  N   LIG    1       -4.923   1.082   2.994  0.00  0.00    -0.239 NA
ATOM     15  C   LIG    1       -5.741   1.505   2.023  0.00  0.00    +0.225 A 
ATOM     16  N   LIG    1       -5.813   1.009   0.787  0.00  0.00    -0.201 NA
BRANCH  13  17
ATOM     17  C   LIG    1       -3.159  -0.411   3.816  0.00  0.00    +0.039 C 
ATOM     18  C   LIG    1       -2.500   0.599   4.731  0.00  0.00    +0.010 C 
ATOM     19  C   LIG    1       -1.671  -0.151   3.734  0.00  0.00    +0.010 C 
ENDBRANCH  13  17
BRANCH  11  21
ATOM     20  C   LIG    1       -5.944   0.024  -1.617  0.00  0.00    +0.279 C 
ATOM     21  O   LIG    1       -5.005  -0.583  -0.737  0.00  0.00    -0.479 OA
ENDBRANCH  11  21
ENDBRANCH   1  12
BRANCH   4  22
ATOM     22  C   LIG    1        0.017  -0.747  -1.249  0.00  0.00    +0.110 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.446  -0.225  -1.492  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1        2.178   0.055  -0.168  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1        3.565   0.648  -0.421  0.00  0.00    +0.107 C 
ATOM     26  N   LIG    1        3.439   1.869  -1.232  0.00  0.00    -0.315 N 
ATOM     27  C   LIG    1        2.804   1.642  -2.539  0.00  0.00    +0.107 C 
ATOM     28  C   LIG    1        1.404   1.061  -2.335  0.00  0.00    +0.024 C 
BRANCH  26  29
ATOM     29  C   LIG    1        4.677   2.542  -1.374  0.00  0.00    +0.121 A 
ATOM     30  N   LIG    1        5.834   1.911  -1.075  0.00  0.00    -0.240 NA
ATOM     31  C   LIG    1        6.992   2.592  -1.224  0.00  0.00    +0.113 A 
ATOM     32  C   LIG    1        7.068   3.901  -1.662  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        5.882   4.553  -1.958  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        4.678   3.870  -1.808  0.00  0.00    +0.043 A 
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6