REMARK  Name = BDB001700
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.026  -0.059  -0.604  0.00  0.00    +0.088 C 
ATOM      2  C   LIG    1        0.330  -0.269   0.893  0.00  0.00    +0.039 C 
ATOM      3  C   LIG    1       -0.560  -1.352  -1.198  0.00  0.00    +0.039 C 
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -0.934   1.117  -0.765  0.00  0.00    +0.179 A 
ATOM      5  N   LIG    1       -2.261   1.223  -0.380  0.00  0.00    -0.194 N 
ATOM      6  N   LIG    1       -2.712   2.457  -0.692  0.00  0.00    -0.039 NA
ATOM      7  N   LIG    1       -1.693   3.084  -1.254  0.00  0.00    -0.023 NA
ATOM      8  N   LIG    1       -0.590   2.281  -1.303  0.00  0.00    -0.111 NA
BRANCH   5   9
ATOM      9  C   LIG    1       -3.115   0.311   0.260  0.00  0.00    +0.075 A 
ATOM     10  C   LIG    1       -3.921  -0.542  -0.526  0.00  0.00    -0.025 A 
ATOM     11  C   LIG    1       -3.978  -0.470  -2.029  0.00  0.00    +0.046 C 
ATOM     12  C   LIG    1       -4.784  -1.430   0.132  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -4.856  -1.457   1.523  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -4.093  -0.572   2.283  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.218   0.334   1.667  0.00  0.00    -0.025 A 
ATOM     16  C   LIG    1       -2.521   1.353   2.531  0.00  0.00    +0.046 C 
ENDBRANCH   5   9
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  N   LIG    1        1.270   0.235  -1.395  0.00  0.00    -0.332 N 
ATOM     18  H   LIG    1        1.259   1.231  -1.639  0.00  0.00    +0.147 HD
BRANCH  17  21
ATOM     19  C   LIG    1        4.606   0.541   0.215  0.00  0.00    +0.122 A 
ATOM     20  C   LIG    1        3.355   0.867  -0.321  0.00  0.00    +0.068 A 
ATOM     21  C   LIG    1        2.537  -0.106  -0.911  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1        2.994  -1.425  -0.944  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        4.241  -1.761  -0.414  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        5.047  -0.780   0.167  0.00  0.00    +0.046 A 
BRANCH  19  26
ATOM     25  C   LIG    1        6.585   1.328   1.272  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        5.287   1.597   0.758  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 5