REMARK  Name = BDB016898
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.573  -0.371  -0.954  0.00  0.00    -0.252 N 
ATOM      2  C   LIG    1       -0.541  -0.517   0.051  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1       -1.696  -0.652  -0.861  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -1.347  -0.543  -2.170  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1       -2.416  -0.661  -2.989  0.00  0.00    -0.228 NA
ATOM      6  C   LIG    1       -3.441  -0.857  -2.170  0.00  0.00    +0.108 A 
ATOM      7  C   LIG    1       -4.851  -1.024  -2.614  0.00  0.00    +0.086 C 
ATOM      8  N   LIG    1       -3.032  -0.891  -0.833  0.00  0.00    -0.327 N 
ATOM      9  C   LIG    1        0.075  -0.357  -2.297  0.00  0.00    +0.272 C 
ATOM     10  O   LIG    1        0.694  -0.255  -3.345  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1        4.048  -1.005   2.544  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1        3.670  -0.605   1.140  0.00  0.00    -0.004 A 
ATOM     13  C   LIG    1        4.643  -0.172   0.186  0.00  0.00    +0.164 A 
ATOM     14  N   LIG    1        4.211   0.176  -1.081  0.00  0.00    -0.280 N 
ATOM     15  C   LIG    1        5.352   0.549  -1.758  0.00  0.00    +0.204 A 
ATOM     16  N   LIG    1        6.395   0.407  -0.960  0.00  0.00    -0.128 NA
ATOM     17  C   LIG    1        2.878   0.114  -1.478  0.00  0.00    +0.118 A 
ATOM     18  C   LIG    1        1.924  -0.291  -0.614  0.00  0.00    +0.055 A 
ATOM     19  N   LIG    1        5.948  -0.041   0.259  0.00  0.00    -0.129 NA
ATOM     20  C   LIG    1        2.377  -0.657   0.737  0.00  0.00    +0.032 A 
BRANCH  15  21
ATOM     21  C   LIG    1        5.348   1.002  -3.165  0.00  0.00    +0.408 C 
ATOM     22  F   LIG    1        6.528   1.578  -3.522  0.00  0.00    -0.201 F 
ATOM     23  F   LIG    1        4.394   1.949  -3.378  0.00  0.00    -0.201 F 
ENDBRANCH  15  21
ENDBRANCH   1  18
BRANCH   2  24
ATOM     24  C   LIG    1       -0.648   0.685   0.978  0.00  0.00    -0.021 A 
ATOM     25  C   LIG    1       -0.643   0.503   2.373  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -0.739   1.597   3.237  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -0.842   2.885   2.717  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1       -0.966   4.229   3.783  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1       -0.848   3.089   1.340  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -0.751   1.995   0.475  0.00  0.00    +0.007 A 
ENDBRANCH   2  24
BRANCH   8  31
ATOM     31  C   LIG    1       -3.902  -1.153   0.308  0.00  0.00    +0.083 C 
ATOM     32  C   LIG    1       -4.333   0.137   1.002  0.00  0.00    +0.030 C 
ATOM     33  C   LIG    1       -3.319  -2.165   1.295  0.00  0.00    +0.030 C 
ENDBRANCH   8  31
TORSDOF 4