REMARK  Name = BDB006963
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.592  -1.698   0.556  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.432  -2.452   0.452  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        0.925  -2.093   0.328  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        1.697  -3.243   0.170  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        3.062  -3.124   0.024  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        3.689  -1.931   0.041  0.00  0.00    -0.251 NA
ATOM      7  C   LIG    1        2.924  -0.820   0.225  0.00  0.00    +0.108 A 
ATOM      8  C   LIG    1        0.857  -4.493   0.162  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        1.349  -5.541   1.163  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        0.791  -5.087  -1.250  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        1.539  -0.858   0.380  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -0.513  -3.916   0.585  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -2.649  -2.246   0.890  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1        3.675   0.429   0.252  0.00  0.00    +0.154 A 
ATOM     15  O   LIG    1        2.952   1.579   0.420  0.00  0.00    -0.453 OA
ATOM     16  C   LIG    1        3.833   2.615   0.421  0.00  0.00    +0.136 A 
ATOM     17  C   LIG    1        5.130   2.148   0.246  0.00  0.00    +0.021 A 
ATOM     18  C   LIG    1        6.182   3.080   0.217  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1        5.878   4.441   0.368  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        4.560   4.871   0.545  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        3.500   3.958   0.576  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        5.018   0.738   0.138  0.00  0.00    +0.060 A 
ENDBRANCH   7  14
BRANCH   1  23
ATOM     23  C   LIG    1       -1.514  -0.199   0.220  0.00  0.00    +0.181 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -2.775   1.917  -0.272  0.00  0.00    +0.097 C 
ATOM     25  N   LIG    1       -2.818   0.430  -0.093  0.00  0.00    -0.286 NA
ATOM     26  C   LIG    1       -3.479  -0.236  -1.238  0.00  0.00    +0.103 C 
ATOM     27  C   LIG    1       -4.684   0.537  -1.838  0.00  0.00    +0.065 C 
ATOM     28  C   LIG    1       -5.874   0.575  -0.877  0.00  0.00    +0.025 C 
ATOM     29  N   LIG    1       -4.368   1.916  -2.254  0.00  0.00    -0.311 NA
ATOM     30  H   LIG    1       -4.362   1.977  -3.271  0.00  0.00    +0.122 HD
ATOM     31  C   LIG    1       -3.067   2.364  -1.738  0.00  0.00    +0.102 C 
BRANCH  24  32
ATOM     32  C   LIG    1       -1.512   2.692   0.210  0.00  0.00    +0.179 C 
BRANCH  32  34
ATOM     33  C   LIG    1       -2.154   2.992   2.490  0.00  0.00    +0.194 C 
ATOM     34  O   LIG    1       -1.163   2.524   1.586  0.00  0.00    -0.381 OA
ENDBRANCH  32  34
ENDBRANCH  24  32
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 5