REMARK  Name = BDB055629
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.297  -1.002   0.742  0.00  0.00    +0.094 A 
ATOM      2  C   LIG    1       -0.609  -0.888  -0.302  0.00  0.00    +0.136 A 
ATOM      3  N   LIG    1       -1.932  -0.778  -0.055  0.00  0.00    -0.199 NA
ATOM      4  C   LIG    1       -2.359  -0.808   1.216  0.00  0.00    +0.217 A 
ATOM      5  N   LIG    1       -1.550  -0.927   2.273  0.00  0.00    -0.222 NA
ATOM      6  C   LIG    1       -0.233  -1.036   2.012  0.00  0.00    +0.131 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.573  -0.482   1.400  0.00  0.00    -0.308 N 
ATOM      8  H   LIG    1        2.171   0.259   1.960  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        1.745  -1.155   0.519  0.00  0.00    +0.249 C 
ATOM     10  O   LIG    1        2.146  -1.841  -0.415  0.00  0.00    -0.270 OA
BRANCH   7  15
ATOM     11  C   LIG    1        8.068   0.731   0.970  0.00  0.00    +0.104 C 
ATOM     12  N   LIG    1        6.706   0.214   1.075  0.00  0.00    -0.305 NA
ATOM     13  C   LIG    1        5.923   0.542  -0.126  0.00  0.00    +0.086 C 
ATOM     14  C   LIG    1        4.408   0.549   0.108  0.00  0.00    +0.037 C 
ATOM     15  C   LIG    1        4.020  -0.451   1.197  0.00  0.00    +0.076 C 
ATOM     16  C   LIG    1        4.747  -0.129   2.512  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1        6.047   0.655   2.300  0.00  0.00    +0.086 C 
ENDBRANCH   7  15
ENDBRANCH   1   9
BRANCH   2  18
ATOM     18  N   LIG    1       -0.149  -0.767  -1.629  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1        0.627  -1.427  -1.755  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.158  -0.875  -2.684  0.00  0.00    +0.072 C 
ATOM     21  C   LIG    1       -0.474  -1.143  -4.028  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1        0.033   0.218  -4.496  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1       -0.840   1.257  -3.795  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -1.837   0.470  -2.947  0.00  0.00    +0.022 C 
ENDBRANCH  18  20
ENDBRANCH   2  18
BRANCH   4  25
ATOM     25  N   LIG    1       -3.712  -0.704   1.504  0.00  0.00    -0.309 N 
ATOM     26  H   LIG    1       -3.767  -0.434   2.480  0.00  0.00    +0.149 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -4.435   0.157   0.591  0.00  0.00    +0.141 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.871   0.265   1.051  0.00  0.00    -0.011 A 
ATOM     29  C   LIG    1       -6.318   1.265   1.930  0.00  0.00    +0.046 A 
ATOM     30 CL   LIG    1       -5.252   2.464   2.568  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1       -7.657   1.310   2.334  0.00  0.00    +0.022 A 
ATOM     32  C   LIG    1       -8.564   0.353   1.877  0.00  0.00    +0.021 A 
ATOM     33  C   LIG    1       -8.128  -0.654   1.021  0.00  0.00    +0.041 A 
ATOM     34 CL   LIG    1       -9.239  -1.843   0.464  0.00  0.00    -0.084 Cl
ATOM     35  C   LIG    1       -6.795  -0.705   0.613  0.00  0.00    +0.026 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   4  25
TORSDOF 7