REMARK  Name = BDB021231
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.628   0.260  -0.231  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        1.232   0.770   1.035  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        0.058   1.498   1.076  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.081   1.958   2.364  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.982   1.425   3.055  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.739   1.710  -0.064  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.342   1.272  -1.230  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.795   0.692   2.226  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.834   0.553  -1.282  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        6.219  -2.961  -1.185  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        5.016  -2.101  -0.955  0.00  0.00    +0.126 A 
ATOM     12  N   LIG    1        5.222  -0.796  -0.694  0.00  0.00    -0.237 NA
ATOM     13  C   LIG    1        4.133  -0.025  -0.451  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1        4.414   1.421  -0.161  0.00  0.00    +0.066 C 
ATOM     15  C   LIG    1        2.841  -0.537  -0.467  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1        2.753  -1.893  -0.735  0.00  0.00    +0.123 A 
ATOM     17  N   LIG    1        3.810  -2.692  -0.983  0.00  0.00    -0.240 NA
ENDBRANCH   1  15
BRANCH   5  18
ATOM     18  C   LIG    1        1.280   1.594   4.445  0.00  0.00    +0.121 C 
ATOM     19  N   LIG    1        1.492   1.757   5.575  0.00  0.00    -0.189 NA
ENDBRANCH   5  18
BRANCH   6  20
ATOM     20  N   LIG    1       -1.937   2.390   0.000  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.254   2.527  -0.957  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.056   1.909   0.808  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.343   0.451   0.587  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -3.851  -0.052  -0.608  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.166   0.633  -1.885  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -4.941  -0.484  -2.584  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -4.558  -1.753  -2.009  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -4.071  -1.415  -0.773  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -3.799  -2.334   0.220  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -3.299  -1.854   1.429  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -3.079  -0.481   1.601  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -2.588  -0.058   2.775  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5