REMARK  Name = BDB021717
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.216   1.042   0.792  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        2.569   0.720   0.993  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.924  -0.561   0.627  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        2.176  -1.230   0.571  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        3.357   1.537   1.464  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1  10
ATOM      6  N   LIG    1       -2.683  -0.732   0.229  0.00  0.00    -0.297 NA
ATOM      7  C   LIG    1       -2.036  -0.161  -0.974  0.00  0.00    +0.056 C 
ATOM      8  C   LIG    1       -1.553  -1.300  -1.883  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -0.910   0.823  -0.622  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1        0.217   0.139   0.160  0.00  0.00    +0.081 C 
ATOM     11  C   LIG    1       -0.338  -0.876   1.173  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1       -1.840  -0.693   1.450  0.00  0.00    +0.056 C 
ATOM     13  C   LIG    1       -2.283  -1.801   2.420  0.00  0.00    +0.024 C 
BRANCH   6  14
ATOM     14  C   LIG    1       -3.999  -0.101   0.486  0.00  0.00    +0.085 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -5.177  -0.847  -0.159  0.00  0.00    +0.015 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -6.608  -1.276  -2.186  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -5.326  -0.643  -1.665  0.00  0.00    -0.002 C 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH   6  14
ENDBRANCH   1  10
BRANCH   3  18
ATOM     18  C   LIG    1        4.224  -1.107   0.564  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1        4.328  -2.491   0.374  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1        5.582  -3.122   0.280  0.00  0.00    +0.057 A 
ATOM     21  C   LIG    1        6.742  -2.344   0.388  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        6.646  -0.966   0.567  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        5.394  -0.350   0.649  0.00  0.00    +0.023 A 
BRANCH  20  24
ATOM     24  C   LIG    1        5.672  -4.617   0.104  0.00  0.00    +0.417 C 
ATOM     25  F   LIG    1        5.649  -5.280   1.292  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        6.809  -5.018  -0.529  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        4.641  -5.127  -0.628  0.00  0.00    -0.166 F 
ENDBRANCH  20  24
ENDBRANCH   3  18
BRANCH   1  28
ATOM     28  C   LIG    1        0.765   2.315   1.372  0.00  0.00    +0.144 C 
BRANCH  28  29
ATOM     29  C   LIG    1        0.650   3.453   0.378  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -0.450   4.324   0.436  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -0.565   5.391  -0.456  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        0.427   5.613  -1.409  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        1.536   4.772  -1.464  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        1.651   3.704  -0.573  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 8