REMARK  Name = BDB060692
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.885  -0.288   0.358  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1        1.974   0.569   1.029  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.636   0.350   0.809  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.015   1.246   1.603  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.857   2.002   2.231  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.155  -0.647  -0.045  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.994  -1.456  -0.636  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.116   1.574   1.868  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        2.344  -1.256  -0.413  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.654   0.810  -1.813  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1        5.193   0.275  -0.517  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        4.351  -0.218   0.490  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        4.946  -0.662   1.678  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        6.329  -0.621   1.823  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        7.079  -0.136   0.768  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1        6.547   0.305  -0.391  0.00  0.00    -0.260 NA
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  N   LIG    1       -1.198  -0.813  -0.257  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -1.311  -1.708  -0.737  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.927   0.193  -1.026  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.362  -0.227  -1.179  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -4.246  -0.289  -0.103  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -4.046   0.059   1.325  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -5.325  -0.539   1.911  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -6.315  -0.643   0.864  0.00  0.00    -0.488 OA
ATOM     25  C   LIG    1       -5.573  -0.658  -0.289  0.00  0.00    +0.159 A 
ATOM     26  C   LIG    1       -6.065  -0.978  -1.540  0.00  0.00    +0.168 A 
ATOM     27  F   LIG    1       -7.346  -1.326  -1.711  0.00  0.00    -0.202 F 
ATOM     28  C   LIG    1       -5.207  -0.940  -2.631  0.00  0.00    +0.080 A 
ATOM     29  C   LIG    1       -3.872  -0.568  -2.441  0.00  0.00    +0.131 A 
ATOM     30  F   LIG    1       -3.064  -0.533  -3.510  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4