REMARK  Name = BDB040479
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.283  -0.702   0.424  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        2.446   0.072   1.257  0.00  0.00    +0.047 A 
ATOM      3 CL   LIG    1        2.812   1.705   1.704  0.00  0.00    -0.083 Cl
ATOM      4  C   LIG    1        1.239  -0.438   1.754  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        0.820  -1.733   1.438  0.00  0.00    -0.028 A 
ATOM      6  C   LIG    1        1.619  -2.501   0.590  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1        2.828  -1.996   0.090  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        3.699  -3.043  -0.981  0.00  0.00    -0.083 Cl
ENDROOT
BRANCH   1  15
ATOM      9  O   LIG    1        7.467   2.724  -0.873  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        6.574   1.909  -0.660  0.00  0.00    +0.219 C 
ATOM     11  N   LIG    1        6.346   1.421   0.601  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1        6.970   1.760   1.321  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1        5.545   0.363   0.959  0.00  0.00    +0.227 C 
ATOM     14  O   LIG    1        5.655  -0.149   2.072  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        4.611  -0.178  -0.121  0.00  0.00    +0.108 C 
ATOM     16  C   LIG    1        4.397   0.832  -1.254  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1        5.740   1.321  -1.772  0.00  0.00    +0.097 C 
ENDBRANCH   1  15
BRANCH   5  18
ATOM     18  C   LIG    1       -0.496  -2.258   1.950  0.00  0.00    +0.139 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -1.563  -1.915   1.040  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.648  -2.454   0.183  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1       -2.304  -0.754   1.180  0.00  0.00    +0.226 C 
ATOM     22  O   LIG    1       -2.179  -0.037   2.171  0.00  0.00    -0.275 OA
BRANCH  21  23
ATOM     23  C   LIG    1       -3.333  -0.485   0.044  0.00  0.00    +0.097 C 
ATOM     24  C   LIG    1       -2.669  -0.759  -1.320  0.00  0.00    +0.180 C 
ATOM     25  O   LIG    1       -2.960  -2.133  -1.630  0.00  0.00    -0.378 OA
ATOM     26  C   LIG    1       -4.299  -2.346  -1.172  0.00  0.00    +0.161 C 
ATOM     27  C   LIG    1       -4.395  -1.604   0.146  0.00  0.00    +0.051 C 
BRANCH  23  28
ATOM     28  C   LIG    1       -3.853   0.962   0.009  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -2.968   2.037   0.226  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -3.397   3.365   0.150  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.720   3.652  -0.165  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.608   2.611  -0.413  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.178   1.282  -0.336  0.00  0.00    +0.005 A 
ENDBRANCH  23  28
ENDBRANCH  21  23
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 5