REMARK  Name = BDB006602
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.904  -0.665   0.539  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.020  -0.380  -0.606  0.00  0.00    +0.146 C 
ATOM      3  C   LIG    1       -1.262  -1.050  -0.168  0.00  0.00    +0.039 A 
ATOM      4  C   LIG    1       -1.098  -1.603   1.093  0.00  0.00    +0.153 A 
ATOM      5  N   LIG    1       -2.189  -2.217   1.540  0.00  0.00    -0.165 NA
ATOM      6  N   LIG    1       -3.068  -2.030   0.526  0.00  0.00    -0.256 N 
ATOM      7  C   LIG    1       -2.541  -1.369  -0.556  0.00  0.00    +0.148 A 
ATOM      8  C   LIG    1        0.243  -1.381   1.588  0.00  0.00    +0.272 C 
ATOM      9  O   LIG    1        0.675  -1.755   2.666  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  17
ATOM     10  C   LIG    1        4.743   1.399  -1.870  0.00  0.00    +0.049 C 
ATOM     11  C   LIG    1        4.122   0.734  -0.683  0.00  0.00    +0.016 A 
ATOM     12  C   LIG    1        5.013   0.499   0.495  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1        6.189   0.851   0.455  0.00  0.00    -0.267 OA
ATOM     14  N   LIG    1        4.413  -0.126   1.581  0.00  0.00    -0.316 N 
ATOM     15  C   LIG    1        5.207  -0.395   2.772  0.00  0.00    +0.152 C 
ATOM     16  C   LIG    1        3.078  -0.502   1.588  0.00  0.00    +0.112 A 
ATOM     17  C   LIG    1        2.253  -0.296   0.542  0.00  0.00    +0.054 A 
ATOM     18  C   LIG    1        2.836   0.346  -0.630  0.00  0.00    +0.033 A 
ENDBRANCH   1  17
BRANCH   2  19
ATOM     19  C   LIG    1       -0.395   1.082  -0.781  0.00  0.00    -0.022 A 
ATOM     20  C   LIG    1       -0.634   1.581  -2.075  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -0.988   2.918  -2.275  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -1.107   3.773  -1.183  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -1.543   5.419  -1.430  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -0.877   3.303   0.106  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.525   1.966   0.308  0.00  0.00    +0.007 A 
ENDBRANCH   2  19
BRANCH   7  26
ATOM     26  C   LIG    1       -3.305  -1.122  -1.780  0.00  0.00    +0.434 C 
ATOM     27  F   LIG    1       -2.482  -0.793  -2.811  0.00  0.00    -0.164 F 
ATOM     28  F   LIG    1       -4.005  -2.209  -2.184  0.00  0.00    -0.164 F 
ATOM     29  F   LIG    1       -4.183  -0.102  -1.637  0.00  0.00    -0.164 F 
ENDBRANCH   7  26
BRANCH   6  30
ATOM     30  C   LIG    1       -4.452  -2.547   0.619  0.00  0.00    +0.108 C 
ATOM     31  C   LIG    1       -5.654  -1.632   0.666  0.00  0.00    +0.029 C 
ATOM     32  C   LIG    1       -5.270  -2.417   1.883  0.00  0.00    +0.029 C 
ENDBRANCH   6  30
TORSDOF 4