REMARK  Name = BDB064429
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.794  -1.144  -0.484  0.00  0.00    -0.315 N 
ATOM      2  C   LIG    1       -0.757  -0.254  -0.515  0.00  0.00    +0.167 A 
ATOM      3  C   LIG    1        0.224  -0.823   0.279  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1        1.429  -0.104   0.429  0.00  0.00    +0.151 A 
ATOM      5  N   LIG    1        1.525   1.096  -0.197  0.00  0.00    -0.200 NA
ATOM      6  C   LIG    1        0.485   1.515  -0.944  0.00  0.00    +0.226 A 
ATOM      7 CL   LIG    1        0.693   3.035  -1.703  0.00  0.00    -0.041 Cl
ATOM      8  N   LIG    1       -0.204  -2.032   0.792  0.00  0.00    -0.231 NA
ATOM      9  N   LIG    1       -0.702   0.917  -1.169  0.00  0.00    -0.198 NA
ATOM     10  C   LIG    1       -1.418  -2.195   0.306  0.00  0.00    +0.201 A 
ENDROOT
BRANCH   4  11
ATOM     11  N   LIG    1        2.481  -0.615   1.187  0.00  0.00    -0.323 N 
ATOM     12  H   LIG    1        2.152  -1.348   1.811  0.00  0.00    +0.148 HD
BRANCH  11  13
ATOM     13  C   LIG    1        3.417   0.332   1.759  0.00  0.00    +0.138 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.601   0.540   0.842  0.00  0.00    -0.030 A 
ATOM     15  C   LIG    1        5.506  -0.505   0.597  0.00  0.00    +0.017 A 
ATOM     16  C   LIG    1        6.612  -0.324  -0.249  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1        6.797   0.922  -0.866  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        5.901   1.965  -0.635  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        4.809   1.775   0.213  0.00  0.00    +0.005 A 
BRANCH  16  20
ATOM     20  C   LIG    1        7.560  -1.464  -0.525  0.00  0.00    +0.417 C 
ATOM     21  F   LIG    1        8.834  -1.050  -0.780  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        7.661  -2.342   0.513  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        7.186  -2.205  -1.605  0.00  0.00    -0.166 F 
ENDBRANCH  16  20
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   4  11
BRANCH   1  24
ATOM     24  C   LIG    1       -3.049  -0.999  -1.194  0.00  0.00    +0.131 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -5.194   0.352  -1.361  0.00  0.00    +0.148 C 
ATOM     26  C   LIG    1       -4.050  -0.127  -0.433  0.00  0.00    +0.043 C 
ATOM     27  C   LIG    1       -4.771  -0.876   0.670  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1       -6.200  -0.414   0.695  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1       -5.299  -0.152   1.876  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1       -6.401   0.577  -0.415  0.00  0.00    +0.147 C 
BRANCH  25  31
ATOM     31  O   LIG    1       -4.874   1.573  -2.027  0.00  0.00    -0.389 OA
ATOM     32  H   LIG    1       -3.994   1.485  -2.436  0.00  0.00    +0.210 HD
ENDBRANCH  25  31
BRANCH  30  33
ATOM     33  O   LIG    1       -6.381   1.900   0.114  0.00  0.00    -0.389 OA
ATOM     34  H   LIG    1       -5.984   2.443  -0.597  0.00  0.00    +0.210 HD
ENDBRANCH  30  33
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 8