REMARK  Name = BDB060696
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.771   0.073  -0.145  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1        1.487  -0.641  -1.117  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1        2.842  -0.856  -1.055  0.00  0.00    +0.173 A 
ATOM      4  N   LIG    1        3.223  -1.542  -2.112  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1        2.103  -1.798  -2.874  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        3.526  -0.328   0.069  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        2.774   0.339   0.971  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        1.073  -1.262  -2.260  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1        1.412   0.548   0.891  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        4.975  -0.452   0.309  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        5.931   0.309  -0.380  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        5.544   1.297  -1.444  0.00  0.00    +0.066 C 
ATOM     13  N   LIG    1        7.264   0.206  -0.134  0.00  0.00    -0.260 NA
ATOM     14  C   LIG    1        7.665  -0.681   0.802  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1        6.797  -1.478   1.525  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        5.434  -1.358   1.275  0.00  0.00    +0.012 A 
ENDBRANCH   6  10
BRANCH   1  17
ATOM     17  N   LIG    1       -0.588   0.247  -0.307  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -0.955   0.211  -1.251  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.330   1.157   0.551  0.00  0.00    +0.143 C 
BRANCH  19  26
ATOM     20  C   LIG    1       -5.589   0.606  -0.184  0.00  0.00    +0.165 A 
ATOM     21  C   LIG    1       -4.840  -0.330   0.518  0.00  0.00    +0.166 A 
ATOM     22  O   LIG    1       -5.336  -1.514   1.011  0.00  0.00    -0.488 OA
ATOM     23  C   LIG    1       -4.298  -1.987   1.895  0.00  0.00    +0.234 C 
ATOM     24  C   LIG    1       -2.969  -1.368   1.468  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -3.481  -0.164   0.770  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1       -2.801   0.964   0.325  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -3.553   1.914  -0.376  0.00  0.00    +0.132 A 
ATOM     28  F   LIG    1       -2.951   3.017  -0.843  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -4.923   1.748  -0.631  0.00  0.00    +0.088 A 
BRANCH  20  31
ATOM     30  C   LIG    1       -7.685   1.276  -1.084  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -6.910   0.322  -0.372  0.00  0.00    -0.491 OA
ENDBRANCH  20  31
ENDBRANCH  19  26
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5