REMARK  Name = BDB060693
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.890  -0.323   0.359  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1        1.986   0.513   1.063  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.647   0.314   0.833  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.002   1.182   1.664  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.879   1.905   2.322  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.159  -0.643  -0.061  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.992  -1.434  -0.683  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.136   1.483   1.943  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        2.343  -1.254  -0.452  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.670   0.850  -1.765  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1        5.204   0.258  -0.492  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        4.357  -0.269   0.494  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        4.948  -0.766   1.663  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        6.331  -0.742   1.810  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        7.086  -0.220   0.777  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1        6.558   0.272  -0.364  0.00  0.00    -0.260 NA
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  N   LIG    1       -1.195  -0.790  -0.280  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -1.315  -1.663  -0.796  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.916   0.253  -1.007  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.353  -0.151  -1.181  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -4.242  -0.249  -0.114  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -4.040   0.046   1.327  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -5.319  -0.570   1.889  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -6.311  -0.621   0.842  0.00  0.00    -0.490 OA
ATOM     25  C   LIG    1       -5.574  -0.602  -0.318  0.00  0.00    +0.142 A 
ATOM     26  C   LIG    1       -6.069  -0.874  -1.582  0.00  0.00    +0.086 A 
ATOM     27 CL   LIG    1       -7.713  -1.302  -1.836  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1       -5.197  -0.798  -2.665  0.00  0.00    +0.062 A 
ATOM     29  C   LIG    1       -3.860  -0.442  -2.456  0.00  0.00    +0.130 A 
ATOM     30  F   LIG    1       -3.047  -0.373  -3.520  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4