REMARK  Name = BDB051950
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.554  -2.405   0.963  0.00  0.00    +0.055 A 
ATOM      2  C   LIG    1       -1.806  -1.961   0.462  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1       -2.895  -2.835   0.496  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.736  -4.143   0.966  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1       -1.490  -4.583   1.429  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -0.396  -3.709   1.431  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        1.776  -1.541   1.345  0.00  0.00    +0.250 C 
ATOM      8  N   LIG    1        0.478  -1.448   0.910  0.00  0.00    -0.280 N 
ATOM      9  H   LIG    1        0.165  -0.566   0.519  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        2.258  -2.486   1.959  0.00  0.00    -0.270 OA
BRANCH   7  19
ATOM     11  C   LIG    1        5.862   1.306   3.210  0.00  0.00    +0.113 C 
ATOM     12  C   LIG    1        5.253   1.943   1.997  0.00  0.00    +0.229 C 
ATOM     13  N   LIG    1        4.172   1.239   1.415  0.00  0.00    -0.287 N 
ATOM     14  C   LIG    1        3.454   1.612   0.272  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        2.482   0.631   0.025  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        1.673   0.761  -1.130  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        1.814   1.868  -1.972  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        2.757   2.845  -1.691  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        2.571  -0.338   1.075  0.00  0.00    +0.063 A 
ATOM     20  C   LIG    1        3.591   2.730  -0.577  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        3.632   0.051   1.871  0.00  0.00    +0.108 A 
ATOM     22  O   LIG    1        5.639   3.004   1.520  0.00  0.00    -0.273 OA
ENDBRANCH   7  19
ENDBRANCH   1   8
BRANCH   2  23
ATOM     23  N   LIG    1       -1.913  -0.596   0.088  0.00  0.00    -0.342 N 
ATOM     24  H   LIG    1       -2.083  -0.069   0.950  0.00  0.00    +0.146 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -2.928  -0.252  -0.911  0.00  0.00    +0.105 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.559   1.084  -1.576  0.00  0.00    +0.010 C 
ATOM     27  C   LIG    1       -3.512   1.383  -2.742  0.00  0.00    +0.033 C 
ATOM     28  C   LIG    1       -3.224   2.753  -3.341  0.00  0.00    +0.160 C 
ATOM     29  O   LIG    1       -3.309   3.763  -2.338  0.00  0.00    -0.380 OA
ATOM     30  C   LIG    1       -2.339   3.579  -1.308  0.00  0.00    +0.160 C 
ATOM     31  C   LIG    1       -2.571   2.258  -0.584  0.00  0.00    +0.033 C 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   2  23
BRANCH   5  32
ATOM     32  C   LIG    1       -1.289  -5.965   1.931  0.00  0.00    +0.337 C 
ATOM     33  O   LIG    1       -0.248  -6.436   2.350  0.00  0.00    -0.245 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -2.413  -6.703   1.887  0.00  0.00    -0.477 OA
ATOM     35  H   LIG    1       -2.129  -7.572   2.242  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH   5  32
TORSDOF 7