REMARK  Name = BDB046883
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.916   0.034   1.354  0.00  0.00    -0.008 A 
ATOM      2  C   LIG    1       -2.049  -0.185   0.598  0.00  0.00    +0.120 A 
ATOM      3  N   LIG    1       -3.058   0.629   1.083  0.00  0.00    -0.220 N 
ATOM      4  N   LIG    1       -2.587   1.371   2.134  0.00  0.00    -0.173 NA
ATOM      5  C   LIG    1       -1.319   1.002   2.288  0.00  0.00    +0.138 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.428   0.785   0.658  0.00  0.00    +0.180 A 
ATOM      7  C   LIG    1       -4.977   0.056  -0.408  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1       -6.327   0.321  -0.697  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1       -6.963  -0.416  -1.805  0.00  0.00    +0.259 A 
ATOM     10  N   LIG    1       -6.165  -1.310  -2.462  0.00  0.00    -0.313 N 
ATOM     11  H   LIG    1       -6.593  -1.820  -3.223  0.00  0.00    +0.170 HD
ATOM     12  C   LIG    1       -4.863  -1.512  -2.126  0.00  0.00    +0.200 A 
ATOM     13  O   LIG    1       -8.134  -0.240  -2.120  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -7.083   1.246   0.020  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -6.456   1.910   1.044  0.00  0.00    +0.114 A 
ATOM     16  N   LIG    1       -4.261  -0.894  -1.170  0.00  0.00    -0.233 NA
ATOM     17  N   LIG    1       -5.168   1.700   1.369  0.00  0.00    -0.234 NA
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1        0.425  -0.605   1.216  0.00  0.00    +0.053 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.366   0.216   0.315  0.00  0.00    +0.089 C 
BRANCH  19  21
ATOM     20  C   LIG    1        2.804  -1.595  -0.441  0.00  0.00    +0.105 C 
ATOM     21  N   LIG    1        2.748  -0.308   0.263  0.00  0.00    -0.301 NA
BRANCH  21  22
ATOM     22  C   LIG    1        3.625   0.683  -0.395  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.102   0.377  -0.244  0.00  0.00    -0.033 A 
ATOM     24  C   LIG    1        5.929   0.274  -1.374  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        7.292   0.007  -1.229  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        7.829  -0.152   0.043  0.00  0.00    +0.123 A 
ATOM     27  F   LIG    1        9.137  -0.408   0.179  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1        7.031  -0.049   1.175  0.00  0.00    +0.038 A 
ATOM     29  C   LIG    1        5.669   0.218   1.033  0.00  0.00    +0.008 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6