REMARK  Name = BDB040441
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.091   1.620  -0.228  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        1.787   1.595   0.983  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        3.089   1.083   1.056  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1        3.816   1.078   2.629  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1        3.748   0.578  -0.086  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        3.016   0.578  -1.294  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1        3.637  -0.083  -2.771  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1        1.714   1.093  -1.361  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        5.175   0.044   0.012  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1        6.129   0.644  -1.019  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1        6.073   1.816  -1.386  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1        7.134  -0.177  -1.473  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        7.766   0.235  -2.144  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        7.504  -1.403  -0.981  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        8.529  -1.957  -1.367  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        6.638  -1.981   0.111  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1        5.204  -1.489  -0.006  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -0.317   2.149  -0.290  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -1.778   0.973   1.321  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1       -1.261   1.110   0.048  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.500   0.435  -0.665  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -1.512   1.766   2.221  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1       -2.723  -0.251   1.521  0.00  0.00    +0.066 C 
ATOM     24  C   LIG    1       -1.886  -1.510   1.192  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1       -3.131  -0.316   3.007  0.00  0.00    +0.025 C 
BRANCH  23  31
ATOM     26  C   LIG    1       -7.581  -0.121  -1.655  0.00  0.00    +0.152 C 
ATOM     27  N   LIG    1       -6.357  -0.102  -0.870  0.00  0.00    -0.318 N 
ATOM     28  C   LIG    1       -5.694   1.103  -0.670  0.00  0.00    +0.251 A 
ATOM     29  O   LIG    1       -6.044   2.188  -1.126  0.00  0.00    -0.268 OA
ATOM     30  C   LIG    1       -4.459   1.033   0.162  0.00  0.00    +0.075 A 
ATOM     31  C   LIG    1       -3.999  -0.130   0.667  0.00  0.00    -0.026 A 
ATOM     32  C   LIG    1       -4.791  -1.329   0.421  0.00  0.00    +0.022 A 
ATOM     33  C   LIG    1       -5.907  -1.284  -0.316  0.00  0.00    +0.089 A 
ENDBRANCH  23  31
ENDBRANCH  19  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5