REMARK  Name = BDB051708
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.178  -0.644  -0.312  0.00  0.00    +0.151 A 
ATOM      2  C   LIG    1       -3.276   0.451  -0.223  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -3.462   1.898   0.094  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -2.332   2.763  -0.525  0.00  0.00    +0.043 C 
ATOM      5  C   LIG    1       -0.971   2.116  -0.480  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -0.820   0.740  -0.523  0.00  0.00    +0.097 A 
ATOM      7  N   LIG    1        0.357   0.100  -0.518  0.00  0.00    -0.213 NA
ATOM      8  C   LIG    1        1.450   0.875  -0.517  0.00  0.00    +0.216 A 
ATOM      9  N   LIG    1        1.418   2.216  -0.489  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1        0.210   2.813  -0.480  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1       -2.025  -0.067  -0.507  0.00  0.00    +0.091 A 
ATOM     12  N   LIG    1       -2.219  -1.388  -0.786  0.00  0.00    -0.259 N 
ATOM     13  N   LIG    1       -3.511  -1.762  -0.657  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   1  17
ATOM     14  N   LIG    1       -6.098   0.229   0.850  0.00  0.00    -0.324 N 
ATOM     15  H   LIG    1       -7.056   0.063   1.131  0.00  0.00    +0.145 HD
ATOM     16  H   LIG    1       -5.467   0.572   1.559  0.00  0.00    +0.145 HD
ATOM     17  C   LIG    1       -5.631  -0.668  -0.079  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -6.418  -1.439  -0.622  0.00  0.00    -0.269 OA
ENDBRANCH   1  17
BRANCH   8  19
ATOM     19  N   LIG    1        2.653   0.196  -0.540  0.00  0.00    -0.311 N 
ATOM     20  H   LIG    1        2.479  -0.779  -0.315  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.779   0.819   0.140  0.00  0.00    +0.073 C 
ATOM     22  C   LIG    1        3.664   0.714   1.660  0.00  0.00    +0.022 C 
ATOM     23  C   LIG    1        4.106  -0.709   1.992  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1        5.027  -1.141   0.853  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1        5.052   0.018  -0.141  0.00  0.00    +0.022 C 
ENDBRANCH  19  21
ENDBRANCH   8  19
BRANCH  12  26
ATOM     26  C   LIG    1       -1.260  -2.386  -1.236  0.00  0.00    +0.172 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -0.594  -3.114  -0.071  0.00  0.00    +0.179 C 
BRANCH  27  28
ATOM     28  O   LIG    1        0.615  -2.479   0.352  0.00  0.00    -0.393 OA
ATOM     29  H   LIG    1        0.459  -1.512   0.311  0.00  0.00    +0.209 HD
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  12  26
TORSDOF 6