REMARK  Name = BDB006635
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.143  -0.540  -0.422  0.00  0.00    +0.069 A 
ATOM      2  C   LIG    1       -1.744  -0.595  -0.411  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -0.514   0.163  -0.725  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1        0.536  -0.847  -0.367  0.00  0.00    -0.254 N 
ATOM      5  C   LIG    1       -0.031  -2.057   0.117  0.00  0.00    +0.270 C 
ATOM      6  O   LIG    1        0.500  -3.084   0.502  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1       -1.431  -1.834   0.054  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1       -2.581  -2.482   0.311  0.00  0.00    -0.256 N 
ATOM      9  N   LIG    1       -3.664  -1.704   0.022  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1        1.930  -0.599  -0.568  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        2.364   0.600  -1.170  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        3.740   0.839  -1.355  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        4.646  -0.119  -0.945  0.00  0.00    +0.170 A 
ATOM     14  O   LIG    1        5.907   0.314  -1.220  0.00  0.00    -0.354 OA
ATOM     15  N   LIG    1        5.852   1.565  -1.814  0.00  0.00    -0.082 NA
ATOM     16  C   LIG    1        4.296  -1.327  -0.348  0.00  0.00    -0.003 A 
ATOM     17  C   LIG    1        5.283  -2.361   0.096  0.00  0.00    +0.048 C 
ATOM     18  C   LIG    1        4.551   1.873  -1.887  0.00  0.00    +0.088 A 
ATOM     19  C   LIG    1        4.120   3.162  -2.474  0.00  0.00    +0.070 C 
ATOM     20  C   LIG    1        2.908  -1.532  -0.173  0.00  0.00    +0.030 A 
ENDBRANCH   4  10
BRANCH   3  21
ATOM     21  C   LIG    1       -0.552   1.402   0.148  0.00  0.00    -0.022 A 
ATOM     22  C   LIG    1       -0.249   1.368   1.522  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -0.297   2.532   2.295  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -0.651   3.741   1.704  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -0.712   5.173   2.655  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -0.957   3.799   0.347  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -0.908   2.637  -0.426  0.00  0.00    +0.007 A 
ENDBRANCH   3  21
BRANCH   1  29
ATOM     28  C   LIG    1       -4.561   1.374   0.343  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -4.039   0.574  -0.840  0.00  0.00    +0.054 C 
ENDBRANCH   1  29
BRANCH   8  30
ATOM     30  C   LIG    1       -2.772  -3.825   0.827  0.00  0.00    +0.172 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -3.598  -3.821   2.108  0.00  0.00    +0.179 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -4.970  -3.527   1.843  0.00  0.00    -0.393 OA
ATOM     33  H   LIG    1       -4.973  -2.727   1.272  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH   8  30
TORSDOF 6