REMARK  Name = BDB060694
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.091   0.183   0.013  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1        2.302  -0.973   0.246  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.939  -0.820   0.179  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.423  -2.068   0.364  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.394  -2.923   0.592  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.319   0.407  -0.077  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        1.047   1.465  -0.313  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.584  -2.230   0.518  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        2.421   1.324  -0.262  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.743  -0.985  -2.204  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1        5.351  -0.315  -1.004  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        4.564   0.215   0.029  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        5.225   0.810   1.112  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        6.615   0.862   1.138  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        7.307   0.319   0.072  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1        6.710  -0.259  -0.992  0.00  0.00    -0.260 NA
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  N   LIG    1       -1.056   0.519  -0.110  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -1.262   1.436  -0.511  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.810   0.403   1.137  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.267   0.671   0.879  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -4.050  -0.141   0.062  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -3.672  -1.330  -0.742  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -5.065  -1.841  -1.105  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -6.001  -0.744  -1.015  0.00  0.00    -0.490 OA
ATOM     25  C   LIG    1       -5.394   0.149  -0.167  0.00  0.00    +0.142 A 
ATOM     26  C   LIG    1       -6.015   1.249   0.401  0.00  0.00    +0.096 A 
ATOM     27  C   LIG    1       -5.251   2.069   1.237  0.00  0.00    +0.061 A 
ATOM     28  C   LIG    1       -3.901   1.774   1.466  0.00  0.00    +0.130 A 
ATOM     29  F   LIG    1       -3.202   2.588   2.269  0.00  0.00    -0.205 F 
BRANCH  26  30
ATOM     30  C   LIG    1       -7.393   1.545   0.155  0.00  0.00    +0.103 C 
ATOM     31  N   LIG    1       -8.508   1.819  -0.016  0.00  0.00    -0.191 NA
ENDBRANCH  26  30
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 5