REMARK  Name = BDB011693
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.187  -0.841  -0.125  0.00  0.00    +0.152 A 
ATOM      2  C   LIG    1       -3.376  -1.715  -0.192  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -3.483  -2.798   0.700  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -4.596  -3.645   0.682  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1       -5.606  -3.410  -0.239  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1       -5.523  -2.353  -1.139  0.00  0.00    +0.039 A 
ATOM      7  F   LIG    1       -6.675  -4.215  -0.267  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -2.386  -3.053   1.664  0.00  0.00    +0.257 A 
ATOM      9  O   LIG    1       -2.434  -3.978   2.466  0.00  0.00    -0.267 OA
ATOM     10  N   LIG    1       -1.309  -2.202   1.603  0.00  0.00    -0.319 N 
ATOM     11  H   LIG    1       -0.550  -2.414   2.240  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1       -4.411  -1.508  -1.118  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -1.192  -1.139   0.738  0.00  0.00    +0.092 A 
ENDROOT
BRANCH  13  14
ATOM     14  C   LIG    1        0.056  -0.354   0.823  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        0.891  -0.206  -0.293  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        2.071   0.536  -0.205  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1        2.434   1.120   1.010  0.00  0.00    +0.128 A 
ATOM     18  C   LIG    1        1.604   0.995   2.123  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1        0.424   0.253   2.034  0.00  0.00    +0.013 A 
BRANCH  17  20
ATOM     20  O   LIG    1        3.562   1.895   1.158  0.00  0.00    -0.456 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.738   1.407   0.634  0.00  0.00    +0.128 A 
ATOM     22  C   LIG    1        5.521   2.296  -0.103  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        6.740   1.873  -0.633  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        7.181   0.568  -0.413  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.408  -0.314   0.344  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        5.188   0.107   0.876  0.00  0.00    +0.046 A 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  13  14
BRANCH   1  27
ATOM     27  O   LIG    1       -2.132   0.202  -1.031  0.00  0.00    -0.488 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -2.584   1.431  -0.441  0.00  0.00    +0.244 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -2.389   2.549  -1.469  0.00  0.00    +0.119 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -2.809   3.853  -0.960  0.00  0.00    -0.327 NA
ATOM     31  H   LIG    1       -2.212   4.122  -0.178  0.00  0.00    +0.118 HD
ATOM     32  H   LIG    1       -2.655   4.557  -1.682  0.00  0.00    +0.118 HD
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 7