REMARK  Name = BDB040500
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.940  -0.549   1.405  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -1.536   0.656   1.781  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -2.831   0.980   1.353  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1       -3.429   2.525   1.861  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -3.580   0.107   0.535  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.950  -1.094   0.140  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1       -3.697  -2.245  -0.917  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -1.654  -1.412   0.570  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.996   0.474   0.094  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1       -6.030  -0.610   0.389  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -6.016  -1.292   1.412  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -7.057  -0.738  -0.515  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -7.743  -1.449  -0.299  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -7.402   0.132  -1.517  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -8.467   0.019  -2.118  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -6.455   1.280  -1.768  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -5.033   0.918  -1.373  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        0.462  -0.891   1.836  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        1.951  -1.338  -0.082  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1        1.413  -0.460   0.840  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.673   0.515   0.818  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.610  -2.519  -0.133  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1        2.902  -0.694  -1.126  0.00  0.00    +0.071 C 
ATOM     24  C   LIG    1        1.976   0.063  -2.109  0.00  0.00    +0.026 C 
ATOM     25  C   LIG    1        3.622  -1.792  -1.934  0.00  0.00    +0.026 C 
BRANCH  23  30
ATOM     26  C   LIG    1        6.463  -0.054   2.421  0.00  0.00    +0.152 C 
ATOM     27  N   LIG    1        5.657   0.462   1.323  0.00  0.00    -0.318 N 
ATOM     28  C   LIG    1        4.739  -0.383   0.698  0.00  0.00    +0.255 A 
ATOM     29  O   LIG    1        4.559  -1.548   1.041  0.00  0.00    -0.267 OA
ATOM     30  C   LIG    1        3.941   0.209  -0.447  0.00  0.00    +0.031 A 
ATOM     31  C   LIG    1        4.188   1.491  -0.780  0.00  0.00    +0.011 A 
ATOM     32  C   LIG    1        5.171   2.287  -0.094  0.00  0.00    +0.018 A 
ATOM     33  C   LIG    1        5.866   1.764   0.918  0.00  0.00    +0.089 A 
ENDBRANCH  23  30
ENDBRANCH  19  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5