REMARK  Name = BDB032458
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.442   0.059   0.084  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.238  -0.170  -0.795  0.00  0.00    -0.024 A 
ATOM      3  C   LIG    1       -0.001   0.399  -0.482  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -1.066   0.167  -1.336  0.00  0.00    +0.215 A 
ATOM      5  N   LIG    1       -1.005  -0.608  -2.436  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1        0.192  -1.172  -2.704  0.00  0.00    +0.115 A 
ATOM      7  C   LIG    1        1.327  -0.984  -1.929  0.00  0.00    +0.025 A 
BRANCH   4   8
ATOM      8  O   LIG    1       -2.288   0.709  -1.021  0.00  0.00    -0.476 OA
BRANCH   8   9
ATOM      9  C   LIG    1       -2.643   1.724  -1.962  0.00  0.00    +0.234 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -4.010   1.436  -2.611  0.00  0.00    +0.035 C 
ATOM     11  C   LIG    1       -5.137   1.539  -1.566  0.00  0.00    +0.081 C 
ATOM     12  C   LIG    1       -6.449   1.130  -2.143  0.00  0.00    +0.110 A 
ATOM     13  N   LIG    1       -6.534   0.307  -3.236  0.00  0.00    -0.334 N 
ATOM     14  C   LIG    1       -7.852   0.090  -3.506  0.00  0.00    +0.107 A 
ATOM     15  C   LIG    1       -8.526   0.816  -2.553  0.00  0.00    +0.130 A 
ATOM     16  C   LIG    1       -5.401  -0.163  -4.004  0.00  0.00    +0.123 C 
ATOM     17  N   LIG    1       -7.649   1.460  -1.716  0.00  0.00    -0.241 NA
ATOM     18  C   LIG    1       -4.067   0.053  -3.287  0.00  0.00    +0.029 C 
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   4   8
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19  N   LIG    1        2.531  -1.015   1.067  0.00  0.00    -0.340 N 
ATOM     20  H   LIG    1        1.614  -1.285   1.423  0.00  0.00    +0.146 HD
BRANCH  19  25
ATOM     21  C   LIG    1        6.408  -0.830   5.211  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1        5.415  -0.901   4.200  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        5.635  -0.171   3.013  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1        4.673  -0.196   1.979  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1        3.476  -0.912   2.095  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        3.293  -1.676   3.251  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        6.816   0.563   2.889  0.00  0.00    +0.149 A 
ATOM     28  F   LIG    1        7.078   1.273   1.780  0.00  0.00    -0.203 F 
ATOM     29  C   LIG    1        7.724   0.564   3.927  0.00  0.00    +0.151 A 
ATOM     30  C   LIG    1        4.230  -1.662   4.293  0.00  0.00    +0.014 A 
ATOM     31  N   LIG    1        7.540  -0.111   5.083  0.00  0.00    -0.237 NA
BRANCH  21  32
ATOM     32  N   LIG    1        6.254  -1.501   6.435  0.00  0.00    -0.343 N 
ATOM     33  H   LIG    1        5.418  -1.161   6.900  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1        6.157  -2.497   6.272  0.00  0.00    +0.144 HD
ENDBRANCH  21  32
ENDBRANCH  19  25
ENDBRANCH   1  19
TORSDOF 7