REMARK  Name = BDB021324
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.202   0.852   0.071  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        0.647   1.669  -0.958  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.644   2.123  -0.768  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.940   2.952  -1.824  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.167   2.905  -2.639  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.410   1.782   0.362  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.883   1.059   1.314  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.146   2.108  -2.099  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.405   0.601   1.133  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.145  -0.872  -0.086  0.00  0.00    +0.059 A 
ATOM     11  C   LIG    1        4.726  -0.181   1.057  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        3.445   0.381   1.112  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        2.558   0.257   0.030  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        2.991  -0.426  -1.116  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        4.271  -0.989  -1.173  0.00  0.00    +0.015 A 
BRANCH  10  16
ATOM     16  C   LIG    1        6.495  -1.490  -0.199  0.00  0.00    +0.339 C 
ATOM     17  O   LIG    1        6.869  -2.122  -1.174  0.00  0.00    -0.245 OA
BRANCH  16  19
ATOM     18  C   LIG    1        8.539  -1.810   0.882  0.00  0.00    +0.280 C 
ATOM     19  O   LIG    1        7.226  -1.251   0.919  0.00  0.00    -0.464 OA
ENDBRANCH  16  19
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   5  20
ATOM     20  C   LIG    1        0.353   3.588  -3.883  0.00  0.00    +0.121 C 
ATOM     21  N   LIG    1        0.465   4.158  -4.889  0.00  0.00    -0.189 NA
ENDBRANCH   5  20
BRANCH   6  22
ATOM     22  N   LIG    1       -2.711   2.217   0.508  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -2.990   1.991   1.461  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.758   1.760  -0.403  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.990   0.282  -0.281  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -4.769  -0.281   0.726  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.569   0.361   1.796  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -5.870  -0.869   2.654  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -5.766  -2.051   1.829  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -4.955  -1.657   0.797  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -4.384  -2.529  -0.107  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -3.583  -1.989  -1.113  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -3.393  -0.603  -1.189  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -2.617  -0.117  -2.170  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 7