REMARK  Name = BDB062357
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.369   0.633   2.167  0.00  0.00    +0.226 C 
ATOM      2  N   LIG    1        0.487  -0.432   2.002  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1       -0.094  -0.918   0.754  0.00  0.00    +0.114 C 
ATOM      4  C   LIG    1       -1.556  -0.486   0.516  0.00  0.00    +0.036 C 
ATOM      5  C   LIG    1       -2.475  -0.831   1.701  0.00  0.00    +0.165 C 
ATOM      6  O   LIG    1       -2.243   0.076   2.774  0.00  0.00    -0.378 OA
ATOM      7  C   LIG    1       -1.284  -0.331   3.751  0.00  0.00    +0.178 C 
ATOM      8  C   LIG    1       -0.047  -1.054   3.214  0.00  0.00    +0.136 C 
ATOM      9  O   LIG    1        1.710   0.969   3.309  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        1.963   1.379   0.931  0.00  0.00    +0.072 C 
ATOM     11  C   LIG    1        2.824   2.583   1.415  0.00  0.00    +0.021 C 
ATOM     12  C   LIG    1        2.822   3.562   0.252  0.00  0.00    +0.001 C 
ATOM     13  C   LIG    1        1.423   3.456  -0.331  0.00  0.00    +0.001 C 
ATOM     14  C   LIG    1        0.837   2.135   0.180  0.00  0.00    +0.021 C 
BRANCH  10  18
ATOM     15  C   LIG    1        4.574  -1.269  -1.378  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1        3.691  -0.420  -2.039  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        2.850   0.435  -1.312  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        2.866   0.455   0.092  0.00  0.00    -0.032 A 
ATOM     19  C   LIG    1        3.777  -0.398   0.741  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        4.613  -1.251   0.014  0.00  0.00    +0.046 A 
BRANCH  15  22
ATOM     21  C   LIG    1        5.464  -2.176  -3.387  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1        5.441  -2.148  -1.966  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
ENDBRANCH  10  18
ENDBRANCH   1  10
BRANCH   4  23
ATOM     23  C   LIG    1       -2.041  -1.146  -0.793  0.00  0.00    +0.043 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.357  -0.609  -1.310  0.00  0.00    -0.036 A 
ATOM     25  C   LIG    1       -4.554  -1.361  -1.325  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -5.726  -0.788  -1.809  0.00  0.00    +0.066 A 
ATOM     27  N   LIG    1       -6.686  -1.758  -1.682  0.00  0.00    -0.277 N 
ATOM     28  H   LIG    1       -7.666  -1.692  -1.932  0.00  0.00    +0.189 HD
ATOM     29  N   LIG    1       -6.238  -2.913  -1.161  0.00  0.00    -0.181 NA
ATOM     30  C   LIG    1       -5.795   0.518  -2.297  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1       -4.612   1.259  -2.288  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -4.943  -2.669  -0.946  0.00  0.00    +0.143 A 
ATOM     33  C   LIG    1       -3.421   0.711  -1.808  0.00  0.00    +0.004 A 
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 5