REMARK  Name = BDB018559
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.788  -5.590  -0.503  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -1.754  -4.586  -0.300  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -0.473  -4.991   0.048  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -0.114  -6.154   0.203  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        0.513  -3.901   0.246  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        0.177  -2.609   0.072  0.00  0.00    -0.002 A 
ATOM      7  C   LIG    1       -1.198  -2.249  -0.318  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -2.085  -3.254  -0.474  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        1.250  -1.634   0.348  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        2.325  -1.465  -0.523  0.00  0.00    +0.123 A 
ATOM     11  N   LIG    1        3.329  -0.577  -0.334  0.00  0.00    -0.221 NA
ATOM     12  C   LIG    1        3.261   0.181   0.781  0.00  0.00    +0.215 A 
ATOM     13  C   LIG    1        2.240   0.088   1.714  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1        1.219  -0.834   1.493  0.00  0.00    +0.015 A 
BRANCH  12  15
ATOM     15  O   LIG    1        4.246   1.110   1.049  0.00  0.00    -0.476 OA
BRANCH  15  16
ATOM     16  C   LIG    1        5.251   1.169   0.037  0.00  0.00    +0.234 C 
BRANCH  16  17
ATOM     17  C   LIG    1        6.258   2.202   0.451  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1        6.013   3.664   0.177  0.00  0.00    +0.007 C 
ATOM     19  C   LIG    1        7.083   2.927  -0.581  0.00  0.00    +0.007 C 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   7  20
ATOM     20  C   LIG    1       -1.603  -0.888  -0.526  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -2.748  -0.300  -0.032  0.00  0.00    +0.123 A 
ATOM     22  N   LIG    1       -2.779   1.000  -0.485  0.00  0.00    -0.238 N 
ATOM     23  N   LIG    1       -1.651   1.286  -1.190  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1       -0.970   0.142  -1.238  0.00  0.00    +0.143 A 
BRANCH  22  25
ATOM     25  C   LIG    1       -3.766   2.018  -0.292  0.00  0.00    +0.085 A 
ATOM     26  C   LIG    1       -5.085   1.774   0.133  0.00  0.00    +0.112 A 
ATOM     27  C   LIG    1       -5.949   2.862   0.318  0.00  0.00    +0.143 A 
ATOM     28  F   LIG    1       -7.212   2.657   0.723  0.00  0.00    -0.204 F 
ATOM     29  C   LIG    1       -5.547   4.173   0.078  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1       -4.258   4.419  -0.370  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -3.376   3.352  -0.558  0.00  0.00    +0.029 A 
BRANCH  26  32
ATOM     32  C   LIG    1       -5.657   0.476   0.319  0.00  0.00    +0.104 C 
ATOM     33  N   LIG    1       -6.105  -0.586   0.460  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH  22  25
ENDBRANCH   7  20
TORSDOF 7