REMARK  Name = BDB006603
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.646  -0.331   0.312  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.486   0.463   0.908  0.00  0.00    +0.146 C 
ATOM      3  C   LIG    1       -1.651  -0.257   0.355  0.00  0.00    +0.039 A 
ATOM      4  C   LIG    1       -3.057  -0.303   0.360  0.00  0.00    +0.171 A 
ATOM      5  N   LIG    1       -3.482  -1.315  -0.444  0.00  0.00    -0.166 NA
ATOM      6  N   LIG    1       -2.346  -1.889  -0.911  0.00  0.00    -0.255 N 
ATOM      7  C   LIG    1       -1.246  -1.276  -0.449  0.00  0.00    +0.130 A 
ATOM      8  C   LIG    1        0.162  -1.377  -0.536  0.00  0.00    +0.270 C 
ATOM      9  O   LIG    1        0.782  -2.196  -1.191  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  17
ATOM     10  C   LIG    1        5.361  -1.255  -0.406  0.00  0.00    +0.152 C 
ATOM     11  N   LIG    1        4.346  -0.479   0.295  0.00  0.00    -0.315 N 
ATOM     12  C   LIG    1        4.746   0.496   1.210  0.00  0.00    +0.270 A 
ATOM     13  O   LIG    1        5.920   0.750   1.470  0.00  0.00    -0.266 OA
ATOM     14  C   LIG    1        3.625   1.230   1.872  0.00  0.00    +0.107 A 
ATOM     15 CL   LIG    1        4.011   2.443   3.033  0.00  0.00    -0.078 Cl
ATOM     16  C   LIG    1        2.350   0.943   1.573  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        1.992  -0.079   0.597  0.00  0.00    +0.055 A 
ATOM     18  C   LIG    1        3.011  -0.740   0.013  0.00  0.00    +0.112 A 
ENDBRANCH   1  17
BRANCH   2  19
ATOM     19  C   LIG    1       -0.609   1.888   0.406  0.00  0.00    -0.022 A 
ATOM     20  C   LIG    1       -1.068   2.889   1.282  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -1.199   4.212   0.854  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -0.873   4.553  -0.455  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -1.033   6.182  -0.981  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -0.417   3.581  -1.341  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.287   2.256  -0.914  0.00  0.00    +0.007 A 
ENDBRANCH   2  19
BRANCH   4  26
ATOM     26  C   LIG    1       -3.991   0.602   1.116  0.00  0.00    +0.436 C 
ATOM     27  F   LIG    1       -3.417   1.027   2.278  0.00  0.00    -0.164 F 
ATOM     28  F   LIG    1       -4.302   1.720   0.411  0.00  0.00    -0.164 F 
ATOM     29  F   LIG    1       -5.159   0.006   1.464  0.00  0.00    -0.164 F 
ENDBRANCH   4  26
BRANCH   6  30
ATOM     30  C   LIG    1       -2.354  -3.042  -1.828  0.00  0.00    +0.108 C 
ATOM     31  C   LIG    1       -1.846  -4.402  -1.411  0.00  0.00    +0.029 C 
ATOM     32  C   LIG    1       -3.311  -4.199  -1.660  0.00  0.00    +0.029 C 
ENDBRANCH   6  30
TORSDOF 4