REMARK  Name = BDB019919
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.174  -0.955  -0.136  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1        0.193  -1.061  -0.436  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.986   0.086  -0.561  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        0.404   1.352  -0.413  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -0.961   1.484  -0.120  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -1.736   0.322   0.020  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -1.070  -2.738   2.285  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1       -1.964  -3.002   1.109  0.00  0.00    -0.025 A 
ATOM      9  C   LIG    1       -2.010  -2.158  -0.016  0.00  0.00    -0.012 A 
ATOM     10  C   LIG    1       -2.889  -2.484  -1.057  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -3.664  -3.627  -0.954  0.00  0.00    +0.111 A 
ATOM     12  N   LIG    1       -3.624  -4.462   0.102  0.00  0.00    -0.263 NA
ATOM     13  C   LIG    1       -2.782  -4.130   1.105  0.00  0.00    +0.114 A 
ENDBRANCH   1   9
BRANCH   3  14
ATOM     14  C   LIG    1        2.439   0.014  -0.881  0.00  0.00    +0.244 C 
ATOM     15  N   LIG    1        3.098  -1.136  -0.502  0.00  0.00    -0.307 N 
ATOM     16  H   LIG    1        2.642  -1.782   0.125  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        2.994   0.965  -1.421  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1        4.531  -1.262  -0.645  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1        5.226  -0.945   0.656  0.00  0.00    -0.029 A 
ATOM     20  C   LIG    1        5.438   0.390   1.035  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        6.056   0.699   2.252  0.00  0.00    +0.060 A 
ATOM     22 CL   LIG    1        6.276   2.368   2.643  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1        6.465  -0.331   3.104  0.00  0.00    +0.059 A 
ATOM     24 CL   LIG    1        7.232  -0.030   4.622  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1        6.253  -1.663   2.736  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        5.633  -1.969   1.521  0.00  0.00    +0.007 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  14
BRANCH   5  27
ATOM     27  C   LIG    1       -1.588   2.855   0.019  0.00  0.00    +0.159 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -2.481   3.138  -1.083  0.00  0.00    -0.313 N 
ATOM     29  C   LIG    1       -3.875   3.002  -1.065  0.00  0.00    +0.204 A 
ATOM     30  N   LIG    1       -4.660   2.664  -0.107  0.00  0.00    -0.268 NA
ATOM     31  H   LIG    1       -4.124   2.499   0.742  0.00  0.00    +0.190 HD
ATOM     32  N   LIG    1       -4.265   3.315  -2.370  0.00  0.00    -0.320 N 
ATOM     33  C   LIG    1       -5.626   3.209  -2.833  0.00  0.00    +0.152 C 
ATOM     34  C   LIG    1       -3.152   3.584  -3.149  0.00  0.00    +0.106 A 
ATOM     35  C   LIG    1       -2.068   3.483  -2.369  0.00  0.00    +0.107 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 6