REMARK  Name = BDB030975
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.084  -1.917   1.133  0.00  0.00    +0.090 A 
ATOM      2  C   LIG    1       -0.660  -3.115   0.780  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1       -2.000  -3.034   0.482  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1       -2.710  -1.890   0.512  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1       -2.061  -0.776   0.857  0.00  0.00    +0.216 A 
ATOM      6  N   LIG    1       -0.763  -0.747   1.161  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        4.719   0.361   0.164  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1        4.704  -0.518   1.267  0.00  0.00    +0.086 A 
ATOM      9 CL   LIG    1        6.123  -0.814   2.211  0.00  0.00    -0.079 Cl
ATOM     10  C   LIG    1        3.506  -1.165   1.603  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1        2.326  -0.970   0.885  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        1.319  -1.784   1.490  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        1.899  -2.416   2.572  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1        2.352  -0.089  -0.214  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        3.218  -2.049   2.620  0.00  0.00    -0.359 N 
ATOM     16  H   LIG    1        3.891  -2.361   3.309  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1        3.544   0.565  -0.562  0.00  0.00    +0.025 A 
BRANCH   7  19
ATOM     18  C   LIG    1        6.206   1.883  -1.161  0.00  0.00    +0.404 C 
ATOM     19  N   LIG    1        5.935   1.001  -0.158  0.00  0.00    -0.250 N 
ATOM     20  H   LIG    1        6.732   0.787   0.429  0.00  0.00    +0.158 HD
ATOM     21  O   LIG    1        5.442   2.316  -2.010  0.00  0.00    -0.226 OA
BRANCH  18  23
ATOM     22  C   LIG    1        7.947   3.156  -2.072  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        7.519   2.228  -1.073  0.00  0.00    -0.453 OA
ENDBRANCH  18  23
ENDBRANCH   7  19
ENDBRANCH   1  12
BRANCH   2  24
ATOM     24  C   LIG    1        0.062  -4.409   0.713  0.00  0.00    +0.421 C 
ATOM     25  F   LIG    1       -0.662  -5.385   0.090  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        0.359  -4.919   1.941  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        1.236  -4.350   0.028  0.00  0.00    -0.166 F 
ENDBRANCH   2  24
BRANCH   5  28
ATOM     28  N   LIG    1       -2.713   0.445   0.923  0.00  0.00    -0.309 N 
ATOM     29  H   LIG    1       -1.965   1.131   0.943  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -3.741   0.672  -0.102  0.00  0.00    +0.094 C 
ATOM     31  C   LIG    1       -3.873   2.188  -0.389  0.00  0.00    +0.123 C 
ATOM     32  N   LIG    1       -4.957   2.433  -1.336  0.00  0.00    -0.346 N 
ATOM     33  H   LIG    1       -5.041   3.396  -1.653  0.00  0.00    +0.146 HD
ATOM     34  C   LIG    1       -6.167   1.772  -1.208  0.00  0.00    -0.003 C 
ATOM     35  C   LIG    1       -7.340   2.319  -1.974  0.00  0.00    +0.060 C 
ATOM     36  C   LIG    1       -6.279   0.691  -0.418  0.00  0.00    -0.007 C 
ATOM     37  C   LIG    1       -5.114   0.127   0.356  0.00  0.00    +0.052 C 
ENDBRANCH  28  30
ENDBRANCH   5  28
TORSDOF 6