REMARK  Name = BDB003702
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.219  -3.863  -1.913  0.00  0.00    +0.132 C 
ATOM      2  N   LIG    1        0.042  -2.433  -2.006  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        1.270  -1.956  -1.552  0.00  0.00    +0.217 C 
ATOM      4  O   LIG    1        2.194  -2.712  -1.254  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.444  -0.447  -1.504  0.00  0.00    +0.119 C 
BRANCH   5   6
ATOM      6  C   LIG    1        2.749  -0.018  -0.824  0.00  0.00    +0.146 C 
ATOM      7  C   LIG    1        3.167   1.379  -1.282  0.00  0.00    +0.231 C 
ATOM      8  O   LIG    1        2.678   1.936  -2.267  0.00  0.00    -0.274 OA
ATOM      9  N   LIG    1        4.216   1.981  -0.637  0.00  0.00    -0.284 N 
ATOM     10  H   LIG    1        4.565   2.820  -1.084  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        4.765   1.589   0.594  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        4.140   0.645   1.421  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        4.715   0.322   2.655  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1        5.905   0.929   3.060  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        6.518   1.876   2.241  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        5.945   2.212   1.014  0.00  0.00    +0.024 A 
ATOM     17  S   LIG    1        2.573  -0.080   0.991  0.00  0.00    -0.110 S 
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  18
ATOM     18  C   LIG    1       -1.108  -1.579  -2.315  0.00  0.00    +0.203 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.996  -1.247  -1.100  0.00  0.00    +0.235 C 
ATOM     20  N   LIG    1       -2.961  -0.296  -1.412  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1       -2.963   0.059  -2.361  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1       -1.848  -1.789  -0.011  0.00  0.00    -0.274 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.937   0.249  -0.553  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1       -4.088  -0.103   0.792  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1       -5.089   0.482   1.598  0.00  0.00    +0.075 A 
ATOM     26  C   LIG    1       -5.940   1.434   1.028  0.00  0.00    +0.053 A 
ATOM     27 CL   LIG    1       -7.194   2.207   1.927  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1       -5.796   1.792  -0.314  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1       -4.801   1.203  -1.098  0.00  0.00    +0.025 A 
BRANCH  25  30
ATOM     30  C   LIG    1       -5.223   0.077   3.042  0.00  0.00    +0.419 C 
ATOM     31  F   LIG    1       -5.051   1.119   3.903  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -6.440  -0.462   3.330  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -4.314  -0.863   3.429  0.00  0.00    -0.166 F 
ENDBRANCH  25  30
ENDBRANCH  20  23
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 6