REMARK  Name = BDB007865
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.450  -2.457   2.554  0.00  0.00    +0.145 C 
ATOM      2  C   LIG    1       -2.353  -1.253   2.909  0.00  0.00    +0.233 C 
ATOM      3  O   LIG    1       -2.132  -0.397   3.756  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -3.412  -1.209   2.004  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1       -3.269  -2.226   0.995  0.00  0.00    +0.110 C 
ATOM      6  C   LIG    1       -2.443  -3.280   1.709  0.00  0.00    +0.047 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        2.736  -1.802   1.601  0.00  0.00    +0.063 C 
ATOM      8  C   LIG    1        2.000  -3.117   1.924  0.00  0.00    +0.027 C 
ATOM      9  C   LIG    1        0.592  -3.124   1.319  0.00  0.00    +0.086 C 
ATOM     10  N   LIG    1       -0.270  -2.011   1.767  0.00  0.00    -0.291 NA
ATOM     11  C   LIG    1        0.497  -0.947   2.438  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1        1.757  -0.618   1.644  0.00  0.00    +0.027 C 
BRANCH   7  13
ATOM     13  C   LIG    1        3.538  -1.960   0.300  0.00  0.00    +0.166 C 
ATOM     14  O   LIG    1        4.234  -2.950   0.072  0.00  0.00    -0.292 OA
BRANCH  13  18
ATOM     15  C   LIG    1        3.335   1.142  -2.636  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1        3.861   1.419  -1.372  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        3.956   0.404  -0.410  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        3.522  -0.889  -0.720  0.00  0.00    +0.018 A 
ATOM     19  C   LIG    1        3.042  -1.188  -1.997  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1        2.936  -0.166  -2.945  0.00  0.00    +0.046 A 
BRANCH  15  22
ATOM     21  C   LIG    1        3.544   3.390  -3.392  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1        3.165   2.043  -3.653  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
ENDBRANCH  13  18
ENDBRANCH   7  13
ENDBRANCH   1  10
BRANCH   4  23
ATOM     23  C   LIG    1       -4.177   0.005   1.774  0.00  0.00    +0.182 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.382   0.934   0.865  0.00  0.00    +0.127 A 
ATOM     25  N   LIG    1       -2.273   1.505   1.434  0.00  0.00    -0.309 N 
ATOM     26  H   LIG    1       -2.008   1.259   2.382  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1       -1.382   2.240   0.709  0.00  0.00    +0.257 A 
ATOM     28  O   LIG    1       -0.314   2.643   1.156  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -1.790   2.512  -0.679  0.00  0.00    +0.064 A 
ATOM     30  C   LIG    1       -0.911   3.390  -1.509  0.00  0.00    +0.202 C 
ATOM     31  O   LIG    1       -1.562   3.817  -2.715  0.00  0.00    -0.375 OA
ATOM     32  C   LIG    1       -2.196   2.723  -3.386  0.00  0.00    +0.166 C 
ATOM     33  C   LIG    1       -3.359   2.206  -2.546  0.00  0.00    +0.084 C 
ATOM     34  C   LIG    1       -2.928   1.956  -1.121  0.00  0.00    +0.056 A 
ATOM     35  N   LIG    1       -3.733   1.131  -0.370  0.00  0.00    -0.237 NA
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 6