REMARK  Name = BDB046906
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.005   0.658   0.596  0.00  0.00    -0.008 A 
ATOM      2  C   LIG    1       -3.121  -0.107   0.852  0.00  0.00    +0.120 A 
ATOM      3  N   LIG    1       -4.196   0.461   0.181  0.00  0.00    -0.220 N 
ATOM      4  N   LIG    1       -3.792   1.566  -0.499  0.00  0.00    -0.173 NA
ATOM      5  C   LIG    1       -2.491   1.679  -0.241  0.00  0.00    +0.138 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -5.538  -0.051   0.203  0.00  0.00    +0.180 A 
ATOM      7  C   LIG    1       -6.586   0.570  -0.494  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1       -7.841  -0.047  -0.376  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1       -8.985   0.557  -1.084  0.00  0.00    +0.259 A 
ATOM     10  N   LIG    1       -8.713   1.688  -1.804  0.00  0.00    -0.313 N 
ATOM     11  H   LIG    1       -9.488   2.111  -2.293  0.00  0.00    +0.170 HD
ATOM     12  C   LIG    1       -7.466   2.228  -1.870  0.00  0.00    +0.200 A 
ATOM     13  O   LIG    1      -10.110   0.075  -1.030  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -8.041  -1.201   0.380  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -6.951  -1.732   1.024  0.00  0.00    +0.114 A 
ATOM     16  N   LIG    1       -6.440   1.737  -1.272  0.00  0.00    -0.233 NA
ATOM     17  N   LIG    1       -5.719  -1.191   0.954  0.00  0.00    -0.234 NA
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -0.612   0.458   1.087  0.00  0.00    +0.053 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.236  -0.364   0.100  0.00  0.00    +0.089 C 
BRANCH  19  23
ATOM     20  C   LIG    1        4.401  -0.667  -0.554  0.00  0.00    +0.021 C 
ATOM     21  C   LIG    1        3.508   0.587  -0.598  0.00  0.00    +0.023 C 
ATOM     22  C   LIG    1        2.458   0.608   0.515  0.00  0.00    +0.085 C 
ATOM     23  N   LIG    1        1.610  -0.591   0.579  0.00  0.00    -0.302 NA
ATOM     24  C   LIG    1        2.198  -1.773  -0.067  0.00  0.00    +0.085 C 
ATOM     25  C   LIG    1        3.707  -1.843   0.151  0.00  0.00    +0.023 C 
BRANCH  20  29
ATOM     26  C   LIG    1        8.368   0.139   1.010  0.00  0.00    +0.052 A 
ATOM     27  C   LIG    1        8.192  -0.226  -0.326  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1        6.910  -0.486  -0.820  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        5.785  -0.387   0.013  0.00  0.00    -0.044 A 
ATOM     30  C   LIG    1        5.975  -0.019   1.354  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        7.256   0.242   1.849  0.00  0.00    +0.019 A 
BRANCH  26  33
ATOM     32  N   LIG    1       10.745   0.623   1.928  0.00  0.00    -0.191 NA
ATOM     33  C   LIG    1        9.681   0.406   1.518  0.00  0.00    +0.099 C 
ENDBRANCH  26  33
ENDBRANCH  20  29
ENDBRANCH  19  23
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6