REMARK  Name = BDB056743
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.881   1.345  -0.843  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1       -1.927   0.334  -0.667  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -0.704   0.714  -0.100  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.416   2.034   0.238  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1        0.837   2.141   0.781  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1        1.337   0.918   0.786  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1       -1.377   3.036   0.022  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1        0.431   0.021   0.254  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        0.636  -1.403   0.112  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1       -2.615   2.677  -0.521  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -4.086   1.004  -1.416  0.00  0.00    -0.438 OA
BRANCH  11  14
ATOM     12  C   LIG    1       -6.606   0.968  -2.653  0.00  0.00    +0.049 C 
ATOM     13  C   LIG    1       -6.447   0.917  -1.163  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -5.185   0.947  -0.562  0.00  0.00    +0.223 A 
ATOM     15  N   LIG    1       -4.990   0.891   0.779  0.00  0.00    -0.219 NA
ATOM     16  C   LIG    1       -6.094   0.806   1.556  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1       -7.385   0.771   1.056  0.00  0.00    +0.060 A 
ATOM     18 CL   LIG    1       -8.737   0.663   2.110  0.00  0.00    -0.082 Cl
ATOM     19  C   LIG    1       -7.564   0.827  -0.322  0.00  0.00    +0.030 A 
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   6  20
ATOM     20  C   LIG    1        2.685   0.546   1.315  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.379  -0.147   0.276  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.636  -0.605   0.565  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1        5.188  -1.450  -0.403  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1        6.476  -1.969  -0.234  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1        7.215  -1.661   0.910  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        6.667  -0.813   1.874  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        5.382  -0.283   1.702  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1        7.025  -2.858  -1.285  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1        6.370  -3.727  -1.835  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1        8.313  -2.577  -1.588  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1        8.635  -1.725  -1.236  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 7