REMARK  Name = BDB019551
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.692  -0.385  -0.975  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -0.371  -0.742  -1.287  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.609   0.240  -1.487  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        0.266   1.595  -1.401  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.044   1.980  -1.090  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -2.010   0.982  -0.880  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -5.194  -2.502   1.908  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -4.412  -2.442   0.630  0.00  0.00    +0.039 A 
ATOM      9  N   LIG    1       -4.684  -3.377  -0.309  0.00  0.00    -0.260 NA
ATOM     10  C   LIG    1       -3.978  -3.325  -1.457  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1       -3.002  -2.379  -1.720  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -2.720  -1.412  -0.750  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1       -3.448  -1.454   0.446  0.00  0.00    +0.031 A 
ENDBRANCH   1  12
BRANCH   3  14
ATOM     14  C   LIG    1        2.017  -0.110  -1.817  0.00  0.00    +0.244 C 
ATOM     15  N   LIG    1        2.483  -1.307  -1.318  0.00  0.00    -0.307 N 
ATOM     16  H   LIG    1        1.951  -1.779  -0.601  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        2.701   0.668  -2.472  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1        3.868  -1.694  -1.467  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.666  -1.313  -0.245  0.00  0.00    -0.029 A 
ATOM     20  C   LIG    1        4.868  -2.232   0.795  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        5.588  -1.868   1.939  0.00  0.00    +0.060 A 
ATOM     22 CL   LIG    1        5.795  -3.063   3.170  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1        6.108  -0.574   2.054  0.00  0.00    +0.059 A 
ATOM     24 CL   LIG    1        7.005  -0.054   3.436  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1        5.901   0.350   1.027  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        5.183  -0.017  -0.114  0.00  0.00    +0.007 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  14
BRANCH   5  27
ATOM     27  C   LIG    1       -1.408   3.442  -0.991  0.00  0.00    +0.157 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -1.805   3.804   0.358  0.00  0.00    -0.332 N 
ATOM     29  C   LIG    1       -0.971   3.920   1.435  0.00  0.00    +0.199 A 
ATOM     30  N   LIG    1       -1.629   4.283   2.513  0.00  0.00    -0.244 NA
ATOM     31  C   LIG    1       -2.933   4.419   2.113  0.00  0.00    +0.130 A 
ATOM     32  C   LIG    1       -3.067   4.131   0.775  0.00  0.00    +0.107 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 6