REMARK  Name = BDB030625
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.034   0.037  -0.087  0.00  0.00    +0.051 C 
ATOM      2  C   LIG    1        2.451   1.399   0.218  0.00  0.00    +0.021 C 
ATOM      3  C   LIG    1        1.236   1.893  -0.492  0.00  0.00    +0.112 C 
ATOM      4  N   LIG    1        0.181   0.965  -0.121  0.00  0.00    -0.296 N 
ATOM      5  C   LIG    1       -1.091   1.130  -0.658  0.00  0.00    +0.267 C 
ATOM      6  O   LIG    1       -1.300   2.027  -1.480  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1        0.599  -0.022   0.870  0.00  0.00    +0.112 C 
ATOM      8  C   LIG    1        2.061   0.230   1.053  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1        8.160   0.057   0.034  0.00  0.00    +0.089 C 
ATOM     10  C   LIG    1        6.708  -0.138   0.194  0.00  0.00    +0.134 A 
ATOM     11  O   LIG    1        6.314  -1.056   1.120  0.00  0.00    -0.360 OA
ATOM     12  N   LIG    1        4.928  -1.119   1.144  0.00  0.00    -0.083 NA
ATOM     13  C   LIG    1        4.525  -0.229   0.235  0.00  0.00    +0.088 A 
ATOM     14  C   LIG    1        5.600   0.414  -0.401  0.00  0.00    +0.071 A 
ENDBRANCH   1  13
BRANCH   5  15
ATOM     15  C   LIG    1       -2.197   0.233  -0.249  0.00  0.00    +0.147 A 
ATOM     16  N   LIG    1       -2.113  -0.740   0.679  0.00  0.00    -0.169 NA
ATOM     17  N   LIG    1       -3.341  -1.279   0.724  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1       -3.504  -2.044   1.370  0.00  0.00    +0.189 HD
ATOM     19  C   LIG    1       -4.233  -0.701  -0.134  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1       -3.519   0.284  -0.779  0.00  0.00    +0.057 A 
BRANCH  19  21
ATOM     21  C   LIG    1       -5.657  -1.152  -0.236  0.00  0.00    +0.031 C 
ATOM     22  C   LIG    1       -5.955  -1.704  -1.631  0.00  0.00    +0.014 C 
ATOM     23  C   LIG    1       -6.618  -0.016   0.113  0.00  0.00    +0.014 C 
ENDBRANCH  19  21
ENDBRANCH   5  15
TORSDOF 3