REMARK  Name = BDB019553
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.162  -0.460  -1.071  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -0.617  -1.684  -0.567  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -1.926  -1.821  -0.083  0.00  0.00    -0.015 A 
ATOM      4  C   LIG    1       -2.772  -0.698  -0.111  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.339   0.535  -0.628  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -1.030   0.637  -1.124  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.393  -3.107   0.457  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -3.374  -3.894  -0.167  0.00  0.00    +0.067 A 
ATOM      9 CL   LIG    1       -4.125  -3.447  -1.656  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -3.748  -5.092   0.432  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1       -3.227  -5.559   1.591  0.00  0.00    -0.262 NA
ATOM     12  C   LIG    1       -2.281  -4.797   2.174  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1       -1.840  -3.589   1.656  0.00  0.00    +0.029 A 
ENDBRANCH   3   7
BRANCH   1  15
ATOM     14  O   LIG    1        1.813  -1.370  -1.972  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        1.244  -0.370  -1.551  0.00  0.00    +0.244 C 
ATOM     16  N   LIG    1        1.846   0.866  -1.444  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1        1.404   1.580  -0.882  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1        3.252   1.042  -1.729  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.064   0.970  -0.459  0.00  0.00    -0.029 A 
ATOM     20  C   LIG    1        4.433  -0.275   0.073  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        5.156  -0.356   1.268  0.00  0.00    +0.060 A 
ATOM     22 CL   LIG    1        5.565  -1.928   1.857  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1        5.515   0.815   1.943  0.00  0.00    +0.059 A 
ATOM     24 CL   LIG    1        6.405   0.797   3.424  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1        5.145   2.058   1.422  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        4.420   2.136   0.230  0.00  0.00    +0.007 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   1  15
BRANCH   5  27
ATOM     27  C   LIG    1       -3.286   1.712  -0.675  0.00  0.00    +0.157 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -2.727   2.877  -0.011  0.00  0.00    -0.332 N 
ATOM     29  C   LIG    1       -2.285   4.013  -0.628  0.00  0.00    +0.199 A 
ATOM     30  N   LIG    1       -1.808   4.875   0.242  0.00  0.00    -0.244 NA
ATOM     31  C   LIG    1       -1.980   4.286   1.468  0.00  0.00    +0.130 A 
ATOM     32  C   LIG    1       -2.557   3.044   1.337  0.00  0.00    +0.107 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 6