REMARK  Name = BDB004502
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.006  -0.450  -0.741  0.00  0.00    +0.149 C 
ATOM      2  C   LIG    1       -1.348  -0.220  -0.034  0.00  0.00    +0.068 C 
ATOM      3  C   LIG    1       -2.069   0.721  -1.021  0.00  0.00    +0.095 C 
ATOM      4  C   LIG    1       -3.059   1.671  -0.386  0.00  0.00    -0.009 A 
ATOM      5  C   LIG    1       -4.318   1.475  -0.955  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -5.432   2.191  -0.572  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -5.255   3.144   0.430  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -3.996   3.360   1.018  0.00  0.00    +0.020 A 
ATOM      9 CL   LIG    1       -6.604   4.077   0.957  0.00  0.00    -0.083 Cl
ATOM     10  N   LIG    1       -4.252   0.487  -1.923  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.024   0.157  -2.484  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -2.882   2.619   0.609  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -2.965  -0.020  -2.047  0.00  0.00    +0.230 C 
ATOM     14  O   LIG    1       -2.623  -0.883  -2.839  0.00  0.00    -0.274 OA
ATOM     15  C   LIG    1       -0.940   1.433  -1.789  0.00  0.00    +0.103 C 
ATOM     16  N   LIG    1        0.345   0.901  -1.285  0.00  0.00    -0.304 NA
ATOM     17  H   LIG    1        0.641   1.485  -0.497  0.00  0.00    +0.123 HD
ENDROOT
BRANCH   2  18
ATOM     18  C   LIG    1       -2.132  -1.441   0.414  0.00  0.00    -0.004 A 
ATOM     19  C   LIG    1       -2.952  -1.345   1.550  0.00  0.00    +0.145 A 
ATOM     20  F   LIG    1       -3.015  -0.178   2.212  0.00  0.00    -0.204 F 
ATOM     21  C   LIG    1       -3.701  -2.432   2.002  0.00  0.00    +0.076 A 
ATOM     22 CL   LIG    1       -4.708  -2.288   3.392  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1       -3.646  -3.645   1.321  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -2.840  -3.762   0.190  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -2.090  -2.671  -0.261  0.00  0.00    +0.007 A 
ENDBRANCH   2  18
BRANCH   1  27
ATOM     26  O   LIG    1        0.940  -1.367   1.318  0.00  0.00    -0.274 OA
ATOM     27  C   LIG    1        1.123  -0.923   0.190  0.00  0.00    +0.231 C 
ATOM     28  N   LIG    1        2.369  -0.812  -0.400  0.00  0.00    -0.311 N 
ATOM     29  H   LIG    1        2.400  -0.194  -1.208  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1        3.596  -1.057   0.342  0.00  0.00    +0.073 C 
ATOM     31  C   LIG    1        3.896   0.129   1.279  0.00  0.00    +0.025 C 
ATOM     32  C   LIG    1        5.393   0.301   1.521  0.00  0.00    +0.033 C 
ATOM     33  C   LIG    1        6.140   0.583   0.213  0.00  0.00    +0.115 C 
ATOM     34  C   LIG    1        5.510  -0.099  -1.008  0.00  0.00    +0.033 C 
ATOM     35  C   LIG    1        4.753  -1.364  -0.622  0.00  0.00    +0.025 C 
BRANCH  33  36
ATOM     36  O   LIG    1        6.156   1.987  -0.038  0.00  0.00    -0.392 OA
ATOM     37  H   LIG    1        6.636   2.411   0.694  0.00  0.00    +0.210 HD
ENDBRANCH  33  36
ENDBRANCH  28  30
ENDBRANCH   1  27
TORSDOF 4