REMARK  Name = BDB016716
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.954  -2.227  -0.512  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        0.721  -1.271  -1.519  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -0.474  -0.542  -1.492  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1       -1.457  -0.729  -0.529  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -2.488   0.201  -0.870  0.00  0.00    +0.093 A 
ATOM      6  N   LIG    1       -2.163   0.910  -1.961  0.00  0.00    -0.173 NA
ATOM      7  C   LIG    1       -1.242  -1.699   0.466  0.00  0.00    +0.012 A 
ATOM      8  N   LIG    1       -0.953   0.443  -2.308  0.00  0.00    -0.276 N 
ATOM      9  H   LIG    1       -0.501   0.843  -3.121  0.00  0.00    +0.189 HD
ATOM     10  C   LIG    1       -0.044  -2.433   0.454  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1        3.727   1.371   0.597  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        3.202   0.070   0.597  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1        3.859  -0.931  -0.104  0.00  0.00    -0.007 A 
ATOM     14  C   LIG    1        3.592  -2.395  -0.311  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1        2.232  -3.035  -0.506  0.00  0.00    +0.040 C 
ATOM     16  C   LIG    1        4.761  -2.865  -1.146  0.00  0.00    +0.228 C 
ATOM     17  N   LIG    1        5.558  -1.760  -1.390  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1        6.411  -1.812  -1.924  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1        4.944  -4.010  -1.526  0.00  0.00    -0.274 OA
ATOM     20  C   LIG    1        3.010  -3.251   0.777  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1        5.045  -0.613  -0.780  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        5.592   0.652  -0.801  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        4.915   1.656  -0.101  0.00  0.00    +0.047 A 
BRANCH  11  25
ATOM     24  C   LIG    1        3.454   3.617   1.342  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        2.989   2.273   1.316  0.00  0.00    -0.495 OA
ENDBRANCH  11  25
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  C   LIG    1       -3.716   0.361  -0.145  0.00  0.00    +0.031 C 
ATOM     27  C   LIG    1       -4.679   1.245  -0.459  0.00  0.00    +0.010 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.928   1.408   0.295  0.00  0.00    -0.022 A 
ATOM     29  C   LIG    1       -6.439   2.692   0.489  0.00  0.00    +0.027 A 
ATOM     30  C   LIG    1       -7.631   2.833   1.182  0.00  0.00    +0.111 A 
ATOM     31  N   LIG    1       -8.341   1.797   1.675  0.00  0.00    -0.263 NA
ATOM     32  C   LIG    1       -7.838   0.564   1.460  0.00  0.00    +0.111 A 
ATOM     33  C   LIG    1       -6.654   0.320   0.782  0.00  0.00    +0.027 A 
ENDBRANCH  27  28
ENDBRANCH   5  26
TORSDOF 4