REMARK  Name = BDB061634
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.221  -2.149   0.618  0.00  0.00    -0.208 N 
ATOM      2  C   LIG    1        2.096  -1.700  -0.381  0.00  0.00    +0.351 A 
ATOM      3  O   LIG    1        1.907  -1.818  -1.583  0.00  0.00    -0.244 OA
ATOM      4  N   LIG    1        3.156  -1.122   0.299  0.00  0.00    -0.250 N 
ATOM      5  C   LIG    1        2.827  -1.242   1.607  0.00  0.00    +0.230 A 
ATOM      6  N   LIG    1        1.701  -1.832   1.862  0.00  0.00    -0.157 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.317  -0.519  -0.246  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1        4.532  -0.456  -1.628  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        5.684   0.141  -2.159  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1        6.656   0.692  -1.327  0.00  0.00    +0.130 A 
ATOM     11  C   LIG    1        6.460   0.638   0.049  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        5.305   0.040   0.581  0.00  0.00    +0.030 A 
BRANCH  10  13
ATOM     13  O   LIG    1        7.721   1.238  -1.981  0.00  0.00    -0.406 OA
BRANCH  13  14
ATOM     14  C   LIG    1        8.752   1.817  -1.199  0.00  0.00    +0.575 C 
ATOM     15  F   LIG    1        9.707   2.296  -2.025  0.00  0.00    -0.133 F 
ATOM     16  F   LIG    1        9.320   0.899  -0.387  0.00  0.00    -0.133 F 
ATOM     17  F   LIG    1        8.282   2.843  -0.458  0.00  0.00    -0.133 F 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1       -0.092  -2.704   0.395  0.00  0.00    +0.184 C 
BRANCH  18  24
ATOM     19  C   LIG    1       -3.377   0.350   2.704  0.00  0.00    +0.047 C 
ATOM     20  C   LIG    1       -2.742  -0.150   1.438  0.00  0.00    -0.008 A 
ATOM     21  C   LIG    1       -3.108   0.370   0.190  0.00  0.00    +0.125 A 
ATOM     22  C   LIG    1       -2.463  -0.051  -0.972  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1       -1.494  -1.053  -0.908  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1       -1.154  -1.633   0.321  0.00  0.00    -0.025 A 
ATOM     25  C   LIG    1       -1.773  -1.164   1.490  0.00  0.00    +0.012 A 
BRANCH  21  26
ATOM     26  O   LIG    1       -4.035   1.371   0.137  0.00  0.00    -0.475 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -5.354   1.038  -0.351  0.00  0.00    +0.200 C 
ATOM     28  C   LIG    1       -5.743  -0.450  -0.310  0.00  0.00    +0.067 C 
ATOM     29  C   LIG    1       -5.489   1.604  -1.768  0.00  0.00    +0.067 C 
BRANCH  27  30
ATOM     30  C   LIG    1       -6.323   1.793   0.578  0.00  0.00    +0.348 C 
ATOM     31  O   LIG    1       -6.059   2.372   1.621  0.00  0.00    -0.247 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -7.609   1.766   0.158  0.00  0.00    -0.478 OA
ATOM     33  H   LIG    1       -8.082   2.277   0.848  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH  21  26
ENDBRANCH  18  24
ENDBRANCH   1  18
TORSDOF 9