REMARK  Name = BDB021995
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.092   0.046  -0.309  0.00  0.00    +0.221 C 
ATOM      2  N   LIG    1       -0.976  -0.772  -0.417  0.00  0.00    -0.312 N 
ATOM      3  H   LIG    1       -0.892  -1.547   0.228  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -2.150   1.137  -0.869  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.230  -0.325  -1.105  0.00  0.00    +0.075 C 
ATOM      6  C   LIG    1        1.052  -1.526  -1.576  0.00  0.00    +0.037 C 
ATOM      7  C   LIG    1        2.366  -1.073  -2.210  0.00  0.00    +0.086 C 
ATOM      8  N   LIG    1        3.174  -0.203  -1.345  0.00  0.00    -0.298 NA
ATOM      9  C   LIG    1        2.389   0.955  -0.889  0.00  0.00    +0.086 C 
ATOM     10  C   LIG    1        1.072   0.585  -0.206  0.00  0.00    +0.037 C 
BRANCH   8  11
ATOM     11  C   LIG    1        3.812  -0.951  -0.249  0.00  0.00    +0.119 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.892  -0.167   0.468  0.00  0.00    -0.033 A 
ATOM     13  C   LIG    1        4.815   0.056   1.851  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        5.819   0.768   2.510  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        6.910   1.262   1.796  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        6.999   1.044   0.423  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.997   0.333  -0.237  0.00  0.00    +0.005 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   2   5
BRANCH   1  18
ATOM     18  C   LIG    1       -3.216  -0.567   0.545  0.00  0.00    +0.105 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.271   0.402   1.069  0.00  0.00    -0.036 A 
ATOM     20  C   LIG    1       -4.697   0.293   2.405  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -5.681   1.142   2.918  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -6.260   2.110   2.102  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.858   2.226   0.775  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.875   1.376   0.261  0.00  0.00    +0.004 A 
ENDBRANCH  18  19
BRANCH  18  26
ATOM     25  C   LIG    1       -4.518  -1.537  -1.471  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -3.837  -1.806  -0.134  0.00  0.00    +0.014 C 
ENDBRANCH  18  26
ENDBRANCH   1  18
TORSDOF 6