REMARK  Name = BDB007198
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.673   0.416  -1.016  0.00  0.00    +0.163 A 
ATOM      2  C   LIG    1        2.679  -0.252  -2.260  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1        1.542  -0.951  -2.682  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        0.394  -0.977  -1.883  0.00  0.00    -0.030 A 
ATOM      5  C   LIG    1       -0.836  -1.751  -2.275  0.00  0.00    +0.132 C 
ATOM      6  C   LIG    1       -2.132  -1.079  -1.833  0.00  0.00    +0.225 C 
ATOM      7  N   LIG    1       -2.067  -0.321  -0.650  0.00  0.00    -0.260 N 
ATOM      8  C   LIG    1       -0.864  -0.432   0.212  0.00  0.00    +0.142 C 
ATOM      9  O   LIG    1       -3.130  -1.213  -2.544  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        0.386  -0.319  -0.647  0.00  0.00    -0.015 A 
ATOM     11  C   LIG    1        1.527   0.374  -0.217  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1       -0.924  -1.684   1.111  0.00  0.00    -0.022 A 
ATOM     13  C   LIG    1        0.068  -2.683   1.109  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -0.023  -3.795   1.955  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -1.101  -3.921   2.824  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -1.210  -5.287   3.864  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -2.088  -2.943   2.858  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -1.997  -1.832   2.013  0.00  0.00    +0.007 A 
ENDBRANCH   8  12
BRANCH   7  19
ATOM     19  C   LIG    1       -3.179   0.479  -0.205  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1       -2.974   1.669   0.510  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1       -4.051   2.443   0.961  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -5.367   2.045   0.714  0.00  0.00    -0.022 A 
ATOM     23  C   LIG    1       -5.584   0.871  -0.009  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -4.504   0.102  -0.461  0.00  0.00    +0.024 A 
BRANCH  22  25
ATOM     25  C   LIG    1       -6.519   2.897   1.171  0.00  0.00    +0.191 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -6.669   4.027   0.320  0.00  0.00    -0.390 OA
ATOM     27  H   LIG    1       -6.232   3.818  -0.524  0.00  0.00    +0.210 HD
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   7  19
BRANCH   2  28
ATOM     28  O   LIG    1        3.847  -0.171  -2.979  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1        3.863  -0.738  -4.281  0.00  0.00    +0.277 C 
ENDBRANCH   2  28
BRANCH   1  30
ATOM     30  O   LIG    1        3.837   1.060  -0.685  0.00  0.00    -0.485 OA
BRANCH  30  31
ATOM     31  C   LIG    1        3.951   1.780   0.545  0.00  0.00    +0.170 C 
ATOM     32  C   LIG    1        5.014   2.857   0.322  0.00  0.00    +0.052 C 
BRANCH  31  34
ATOM     33  C   LIG    1        5.585   0.011   1.460  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1        4.329   0.840   1.704  0.00  0.00    +0.041 C 
ENDBRANCH  31  34
ENDBRANCH  30  31
ENDBRANCH   1  30
TORSDOF 8