REMARK  Name = BDB057011
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.659  -0.900  -0.520  0.00  0.00    +0.167 A 
ATOM      2  C   LIG    1        3.046  -1.289  -0.312  0.00  0.00    +0.179 A 
ATOM      3  N   LIG    1        3.971  -0.357   0.086  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        5.172  -1.024   0.194  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1        4.879  -2.333  -0.152  0.00  0.00    +0.140 A 
ATOM      6  C   LIG    1        3.572   0.950   0.286  0.00  0.00    +0.116 A 
ATOM      7  C   LIG    1        2.279   1.272   0.084  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1        1.778   2.674   0.282  0.00  0.00    +0.067 C 
ATOM      9  N   LIG    1        3.552  -2.494  -0.467  0.00  0.00    -0.232 NA
ATOM     10  N   LIG    1        1.321   0.354  -0.318  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        6.569  -0.491   0.605  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        7.708  -1.260   0.678  0.00  0.00    +0.115 A 
ATOM     13  N   LIG    1        8.709  -0.420   1.073  0.00  0.00    -0.284 N 
ATOM     14  H   LIG    1        9.688  -0.638   1.232  0.00  0.00    +0.188 HD
ATOM     15  N   LIG    1        8.298   0.844   1.261  0.00  0.00    -0.182 NA
ATOM     16  C   LIG    1        6.994   0.798   0.975  0.00  0.00    +0.144 A 
ENDBRANCH   4  11
BRANCH   1  17
ATOM     17  N   LIG    1        0.759  -1.871  -0.921  0.00  0.00    -0.290 N 
ATOM     18  H   LIG    1        1.196  -2.785  -1.024  0.00  0.00    +0.154 HD
BRANCH  17  22
ATOM     19  C   LIG    1       -2.776  -1.105  -1.480  0.00  0.00    +0.066 A 
ATOM     20  N   LIG    1       -2.933  -2.389  -1.812  0.00  0.00    -0.212 NA
ATOM     21  S   LIG    1       -1.481  -3.164  -1.665  0.00  0.00    +0.027 S 
ATOM     22  C   LIG    1       -0.568  -1.790  -1.181  0.00  0.00    +0.091 A 
ATOM     23  C   LIG    1       -1.437  -0.718  -1.134  0.00  0.00    +0.057 A 
BRANCH  19  24
ATOM     24  C   LIG    1       -3.964  -0.174  -1.532  0.00  0.00    +0.140 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.781  -0.286  -0.308  0.00  0.00    -0.295 NA
BRANCH  25  27
ATOM     26  C   LIG    1       -4.904   0.113   2.156  0.00  0.00    +0.020 C 
ATOM     27  C   LIG    1       -4.194   0.412   0.839  0.00  0.00    +0.081 C 
ENDBRANCH  25  27
BRANCH  25  28
ATOM     28  C   LIG    1       -6.203   0.010  -0.562  0.00  0.00    +0.112 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -6.629   1.483  -0.693  0.00  0.00    +0.171 C 
BRANCH  29  30
ATOM     30  O   LIG    1       -5.973   2.141  -1.770  0.00  0.00    -0.394 OA
ATOM     31  H   LIG    1       -5.102   2.414  -1.440  0.00  0.00    +0.209 HD
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  24  25
ENDBRANCH  19  24
ENDBRANCH  17  22
ENDBRANCH   1  17
TORSDOF 9