REMARK  Name = BDB064931
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.245   1.523   0.748  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.686   0.476   0.707  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        2.033   0.679   1.054  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1        2.437   1.963   1.442  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.516   3.009   1.487  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.180   2.790   1.141  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.661   2.063   0.335  0.00  0.00    +0.267 C 
ATOM      8  N   LIG    1       -1.568   1.219   0.384  0.00  0.00    -0.280 N 
ATOM      9  H   LIG    1       -1.774   0.258   0.120  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -2.691   3.260   0.597  0.00  0.00    -0.268 OA
BRANCH   7  16
ATOM     11  C   LIG    1       -7.524   1.984  -0.737  0.00  0.00    +0.066 C 
ATOM     12  C   LIG    1       -6.181   1.333  -0.596  0.00  0.00    +0.042 A 
ATOM     13  N   LIG    1       -6.097   0.015  -0.881  0.00  0.00    -0.237 NA
ATOM     14  C   LIG    1       -4.902  -0.601  -0.763  0.00  0.00    +0.133 A 
ATOM     15  N   LIG    1       -3.787   0.043  -0.374  0.00  0.00    -0.227 NA
ATOM     16  C   LIG    1       -3.916   1.364  -0.098  0.00  0.00    +0.129 A 
ATOM     17  C   LIG    1       -5.093   2.066  -0.192  0.00  0.00    +0.056 A 
BRANCH  14  18
ATOM     18  C   LIG    1       -4.836  -2.078  -1.087  0.00  0.00    +0.057 C 
ATOM     19  C   LIG    1       -3.604  -2.680  -1.723  0.00  0.00    +0.012 C 
ATOM     20  C   LIG    1       -3.940  -3.005  -0.297  0.00  0.00    +0.012 C 
ENDBRANCH  14  18
ENDBRANCH   7  16
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1        3.014  -0.485   0.975  0.00  0.00    +0.023 C 
ATOM     22  C   LIG    1        3.730  -0.698   2.316  0.00  0.00    +0.013 C 
BRANCH  21  23
ATOM     23  C   LIG    1        4.005  -0.263  -0.186  0.00  0.00    +0.084 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.808  -1.478  -0.515  0.00  0.00    +0.134 A 
ATOM     25  N   LIG    1        6.052  -1.459  -1.091  0.00  0.00    -0.320 N 
ATOM     26  C   LIG    1        6.816  -0.307  -1.485  0.00  0.00    +0.151 C 
ATOM     27  C   LIG    1        6.428  -2.758  -1.233  0.00  0.00    +0.224 A 
ATOM     28  N   LIG    1        5.475  -3.539  -0.784  0.00  0.00    -0.138 NA
ATOM     29  N   LIG    1        4.452  -2.736  -0.341  0.00  0.00    -0.135 NA
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   3  21
TORSDOF 6