REMARK  Name = BDB040450
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.580   1.486  -0.345  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -1.255   1.984   0.770  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -2.532   1.513   1.107  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1       -3.268   2.251   2.492  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -3.175   0.512   0.347  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.483   0.029  -0.785  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1       -3.143  -1.163  -1.855  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -1.208   0.507  -1.119  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.557  -0.003   0.746  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1       -4.623  -1.522   0.888  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -3.704  -2.194   1.353  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -5.815  -2.117   0.548  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -5.851  -3.121   0.662  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -7.017  -1.504   0.303  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -8.053  -2.156   0.206  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -7.008   0.004   0.256  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -5.652   0.534  -0.183  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        0.808   1.956  -0.690  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        2.363   0.072  -1.073  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1        1.788   1.001  -0.230  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.980   0.958   0.762  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        2.142   0.064  -2.283  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        2.436  -1.783   0.594  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1        3.302  -0.954  -0.383  0.00  0.00    +0.066 C 
ATOM     25  C   LIG    1        3.860  -1.939  -1.434  0.00  0.00    +0.025 C 
BRANCH  24  26
ATOM     26  C   LIG    1        4.468  -0.201   0.284  0.00  0.00    -0.027 A 
ATOM     27  C   LIG    1        4.797  -0.310   1.588  0.00  0.00    +0.074 A 
ATOM     28  C   LIG    1        5.932   0.461   2.162  0.00  0.00    +0.249 A 
ATOM     29  O   LIG    1        6.223   0.370   3.349  0.00  0.00    -0.268 OA
ATOM     30  N   LIG    1        6.609   1.270   1.286  0.00  0.00    -0.329 N 
ATOM     31  H   LIG    1        7.385   1.791   1.676  0.00  0.00    +0.168 HD
ATOM     32  C   LIG    1        6.290   1.388  -0.039  0.00  0.00    +0.086 A 
ATOM     33  C   LIG    1        5.266   0.696  -0.553  0.00  0.00    +0.022 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5