REMARK  Name = BDB040404
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.001   0.416  -1.180  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        1.863   1.511  -1.195  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        3.143   1.424  -0.629  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1        4.119   2.852  -0.762  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        3.607   0.240  -0.004  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        2.724  -0.860  -0.014  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1        3.112  -2.416   0.633  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        1.443  -0.765  -0.583  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        5.008   0.222   0.612  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1        5.160  -0.552   1.913  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1        4.497  -0.292   2.916  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1        6.070  -1.581   1.925  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        6.145  -2.083   2.800  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        6.613  -2.225   0.842  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        7.210  -3.289   0.974  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        6.365  -1.603  -0.510  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1        6.118  -0.111  -0.394  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -0.388   0.522  -1.746  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -2.619   1.276  -1.083  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1       -1.305   1.024  -0.750  0.00  0.00    -0.311 N 
ATOM     21  H   LIG    1       -1.020   0.983   0.218  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -2.996   1.218  -2.251  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -3.051   3.124   0.518  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1       -3.529   1.731   0.073  0.00  0.00    +0.082 C 
ATOM     25  C   LIG    1       -3.508   0.770   1.272  0.00  0.00    +0.058 C 
ATOM     26  C   LIG    1       -4.302  -0.474   1.005  0.00  0.00    -0.005 A 
ATOM     27  C   LIG    1       -5.283  -0.491   0.013  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -6.016  -1.653  -0.230  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1       -5.792  -2.798   0.534  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -4.832  -2.781   1.543  0.00  0.00    +0.000 A 
ATOM     31  O   LIG    1       -5.571   0.574  -0.790  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -4.091  -1.623   1.780  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1       -4.983   1.825  -0.418  0.00  0.00    +0.245 C 
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 4