REMARK  Name = BDB040453
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.010   0.697  -1.666  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.480   0.611  -1.363  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        2.194  -0.567  -1.588  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        3.564  -0.659  -1.286  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1        4.265  -2.210  -1.588  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        4.274   0.435  -0.750  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        3.521   1.608  -0.497  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        4.214   3.022   0.233  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        2.154   1.693  -0.799  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1        5.767   0.422  -0.414  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        6.668  -0.341  -1.375  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1        6.738  -0.067  -2.571  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1        7.404  -1.377  -0.852  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1        7.985  -1.871  -1.516  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        7.193  -2.033   0.334  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        7.746  -3.103   0.573  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        6.192  -1.417   1.280  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1        6.065   0.078   1.051  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1       -2.136   0.628  -0.480  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1       -0.770   0.414  -0.485  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -0.344  -0.139   0.245  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -2.692   1.138  -1.450  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -2.314   1.101   1.964  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1       -2.879   0.218   0.828  0.00  0.00    +0.066 C 
ATOM     25  C   LIG    1       -2.562  -1.255   1.179  0.00  0.00    +0.025 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -4.415   0.342   0.660  0.00  0.00    -0.032 A 
ATOM     27  C   LIG    1       -5.065  -0.422  -0.343  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1       -6.461  -0.342  -0.505  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -7.175   0.498   0.336  0.00  0.00    +0.135 A 
ATOM     30  O   LIG    1       -8.504   0.448   0.039  0.00  0.00    -0.463 OA
ATOM     31  C   LIG    1       -8.643  -0.419  -0.998  0.00  0.00    +0.196 A 
ATOM     32  C   LIG    1       -6.596   1.274   1.331  0.00  0.00    +0.047 A 
ATOM     33  C   LIG    1       -7.421  -0.931  -1.369  0.00  0.00    +0.049 A 
ATOM     34  C   LIG    1       -5.203   1.180   1.474  0.00  0.00    +0.008 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 5