REMARK  Name = BDB006904
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.031  -0.656  -1.357  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.137  -1.517  -0.734  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.254  -1.549  -0.955  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        1.842  -2.547  -0.190  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        3.206  -2.721  -0.260  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        3.995  -1.950  -1.038  0.00  0.00    -0.259 NA
ATOM      7  C   LIG    1        3.401  -0.968  -1.775  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        0.829  -3.318   0.609  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        1.151  -3.321   2.106  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        0.704  -4.754   0.084  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        2.025  -0.740  -1.765  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -0.459  -2.506   0.312  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -0.722   0.095  -2.289  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -2.481  -0.664  -0.827  0.00  0.00    +0.181 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -4.291   0.660   0.202  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1       -2.890   0.660  -0.297  0.00  0.00    -0.286 NA
ATOM     17  C   LIG    1       -2.021   1.132   0.807  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1       -2.320   0.556   2.230  0.00  0.00    +0.065 C 
ATOM     19  C   LIG    1       -2.733   1.665   3.208  0.00  0.00    +0.025 C 
ATOM     20  N   LIG    1       -3.301  -0.542   2.246  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -3.567  -0.774   3.204  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -4.513  -0.233   1.464  0.00  0.00    +0.102 C 
BRANCH  15  23
ATOM     23  C   LIG    1       -5.351   0.358  -0.880  0.00  0.00    +0.179 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -7.667   0.367  -1.327  0.00  0.00    +0.194 C 
ATOM     25  O   LIG    1       -6.661   0.582  -0.346  0.00  0.00    -0.381 OA
ENDBRANCH  23  25
ENDBRANCH  15  23
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   7  26
ATOM     26  C   LIG    1        4.309  -0.093  -2.611  0.00  0.00    +0.090 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.475   1.306  -2.064  0.00  0.00    -0.038 A 
ATOM     28  C   LIG    1        5.229   1.525  -0.901  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1        5.388   2.809  -0.371  0.00  0.00    +0.120 A 
ATOM     30  C   LIG    1        4.786   3.890  -1.014  0.00  0.00    +0.045 A 
ATOM     31  C   LIG    1        4.030   3.685  -2.171  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        3.873   2.401  -2.694  0.00  0.00    +0.004 A 
BRANCH  29  33
ATOM     33  O   LIG    1        6.147   2.867   0.764  0.00  0.00    -0.495 OA
ATOM     34  C   LIG    1        6.346   4.152   1.341  0.00  0.00    +0.277 C 
ENDBRANCH  29  33
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 7