REMARK  Name = BDB031403
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.455   1.063   0.242  0.00  0.00    +0.192 C 
ATOM      2  N   LIG    1        1.250  -0.125  -0.103  0.00  0.00    -0.256 N 
ATOM      3  C   LIG    1        0.440  -1.215  -0.390  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1        0.759  -2.290  -0.862  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1       -0.943  -0.833  -0.118  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1       -2.090  -1.607  -0.215  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -3.327  -1.006   0.066  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1       -3.338   0.365   0.442  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1       -2.163   1.124   0.524  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -0.958   0.508   0.231  0.00  0.00    +0.019 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1        0.575   2.227  -0.755  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        0.743   3.554  -0.315  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        0.836   4.611  -1.226  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        0.751   4.359  -2.591  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        0.864   5.660  -3.711  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        0.569   3.060  -3.055  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        0.477   2.003  -2.145  0.00  0.00    +0.010 A 
ENDBRANCH   1  11
BRANCH   7  18
ATOM     18  C   LIG    1       -4.647  -1.774   0.008  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1       -4.596  -3.084  -0.790  0.00  0.00    +0.046 C 
ATOM     20  C   LIG    1       -5.159  -2.061   1.424  0.00  0.00    +0.046 C 
BRANCH  18  21
ATOM     21  O   LIG    1       -5.625  -0.953  -0.645  0.00  0.00    -0.385 OA
ATOM     22  H   LIG    1       -5.196  -0.569  -1.429  0.00  0.00    +0.211 HD
ENDBRANCH  18  21
ENDBRANCH   7  18
BRANCH   1  24
ATOM     23  C   LIG    1        1.929   1.468   2.135  0.00  0.00    +0.197 C 
ATOM     24  O   LIG    1        0.618   1.463   1.607  0.00  0.00    -0.351 OA
ENDBRANCH   1  24
BRANCH   2  25
ATOM     25  C   LIG    1        2.611  -0.057  -0.631  0.00  0.00    +0.166 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.653  -0.782   0.200  0.00  0.00    +0.059 A 
ATOM     27  N   LIG    1        4.490  -0.011   0.946  0.00  0.00    -0.257 NA
ATOM     28  C   LIG    1        5.432  -0.647   1.688  0.00  0.00    +0.131 A 
ATOM     29  C   LIG    1        5.588  -2.022   1.724  0.00  0.00    +0.059 A 
ATOM     30 CL   LIG    1        6.804  -2.749   2.690  0.00  0.00    -0.082 Cl
ATOM     31  C   LIG    1        4.734  -2.798   0.954  0.00  0.00    +0.023 A 
ATOM     32  C   LIG    1        3.756  -2.173   0.179  0.00  0.00    +0.026 A 
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 6