REMARK  Name = BDB060062
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.726   0.288  -0.498  0.00  0.00    -0.043 A 
ATOM      2  C   LIG    1       -1.346   0.464   0.840  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.168  -0.117   1.326  0.00  0.00    +0.057 A 
ATOM      4  I   LIG    1        0.294   0.172   3.350  0.00  0.00    -0.040 I 
ATOM      5  C   LIG    1        0.654  -0.863   0.473  0.00  0.00    +0.155 A 
ATOM      6  C   LIG    1        0.260  -1.068  -0.856  0.00  0.00    +0.061 A 
ATOM      7 BR   LIG    1        1.274  -2.140  -2.051  0.00  0.00    -0.046 Br
ATOM      8  C   LIG    1       -0.917  -0.488  -1.339  0.00  0.00    +0.022 A 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1       -3.005   0.902  -1.024  0.00  0.00    +0.065 C 
BRANCH   9  10
ATOM     10  CA  LIG    1       -4.164  -0.100  -1.133  0.00  0.00    +0.165 C 
BRANCH  10  11
ATOM     11  N   LIG    1       -5.234   0.467  -2.000  0.00  0.00    -0.318 NA
ATOM     12  H1  LIG    1       -5.969  -0.235  -2.098  0.00  0.00    +0.119 HD
ATOM     13  H2  LIG    1       -5.684   1.221  -1.471  0.00  0.00    +0.119 HD
ENDBRANCH  10  11
BRANCH  10  14
ATOM     14  C   LIG    1       -4.720  -0.420   0.261  0.00  0.00    +0.322 C 
ATOM     15  O   LIG    1       -4.251  -1.203   1.070  0.00  0.00    -0.249 OA
BRANCH  14  16
ATOM     16  OXT LIG    1       -5.824   0.296   0.578  0.00  0.00    -0.480 OA
ATOM     17  HXT LIG    1       -6.049  -0.012   1.482  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  10  14
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   5  18
ATOM     18  O   LIG    1        1.797  -1.454   0.957  0.00  0.00    -0.454 OA
BRANCH  18  19
ATOM     19  C   LIG    1        3.001  -0.805   0.761  0.00  0.00    +0.131 A 
ATOM     20  C   LIG    1        3.152   0.499   0.283  0.00  0.00    +0.064 A 
ATOM     21  C   LIG    1        4.433   1.045   0.136  0.00  0.00    +0.059 A 
ATOM     22  I   LIG    1        4.582   3.005  -0.589  0.00  0.00    -0.040 I 
ATOM     23  C   LIG    1        5.564   0.294   0.469  0.00  0.00    +0.143 A 
ATOM     24  C   LIG    1        5.407  -1.009   0.953  0.00  0.00    +0.059 A 
ATOM     25  I   LIG    1        7.056  -2.185   1.472  0.00  0.00    -0.040 I 
ATOM     26  C   LIG    1        4.130  -1.556   1.101  0.00  0.00    +0.064 A 
BRANCH  23  27
ATOM     27  O   LIG    1        6.809   0.845   0.318  0.00  0.00    -0.505 OA
ATOM     28  H   LIG    1        7.467   0.183   0.594  0.00  0.00    +0.292 HD
ENDBRANCH  23  27
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 8