REMARK  Name = BDB040594
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.310  -1.395  -1.969  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        0.509  -0.151  -2.565  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -0.393   0.901  -2.351  0.00  0.00    +0.049 A 
ATOM      4 CL   LIG    1       -0.002   2.373  -3.183  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -1.527   0.756  -1.514  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -1.729  -0.523  -0.951  0.00  0.00    +0.049 A 
ATOM      7 CL   LIG    1       -3.087  -0.940   0.037  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -0.824  -1.573  -1.174  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -2.473   1.930  -1.223  0.00  0.00    +0.215 C 
ATOM     10  C   LIG    1       -1.708   3.190  -0.749  0.00  0.00    +0.261 C 
ATOM     11  O   LIG    1       -0.709   3.152  -0.026  0.00  0.00    -0.272 OA
ATOM     12  N   LIG    1       -2.255   4.406  -1.098  0.00  0.00    -0.253 N 
ATOM     13  H   LIG    1       -1.781   5.224  -0.738  0.00  0.00    +0.158 HD
ATOM     14  C   LIG    1       -3.469   4.640  -1.691  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -3.915   5.780  -1.782  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -4.250   3.430  -2.144  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1       -3.334   2.253  -2.453  0.00  0.00    +0.064 C 
ATOM     18  F   LIG    1       -3.383   1.661  -0.228  0.00  0.00    -0.227 F 
ENDBRANCH   5   9
BRANCH   1  19
ATOM     19  C   LIG    1        1.348  -2.484  -2.079  0.00  0.00    +0.139 C 
BRANCH  19  21
ATOM     20  C   LIG    1        1.944  -3.306   0.164  0.00  0.00    +0.226 C 
ATOM     21  N   LIG    1        2.184  -2.453  -0.900  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        2.530  -1.532  -0.637  0.00  0.00    +0.149 HD
ATOM     23  O   LIG    1        1.242  -4.310   0.044  0.00  0.00    -0.275 OA
BRANCH  20  24
ATOM     24  C   LIG    1        2.596  -2.886   1.501  0.00  0.00    +0.101 C 
ATOM     25  C   LIG    1        2.388  -4.017   2.531  0.00  0.00    +0.029 C 
ATOM     26  C   LIG    1        4.114  -2.691   1.325  0.00  0.00    +0.029 C 
BRANCH  24  31
ATOM     27  C   LIG    1       -0.118   1.949   2.986  0.00  0.00    +0.047 C 
ATOM     28  C   LIG    1        0.646   0.718   2.644  0.00  0.00    -0.014 A 
ATOM     29  C   LIG    1        1.456   0.629   1.534  0.00  0.00    +0.117 A 
ATOM     30  N   LIG    1        2.118  -0.491   1.174  0.00  0.00    -0.239 NA
ATOM     31  C   LIG    1        1.941  -1.584   1.957  0.00  0.00    +0.143 A 
ATOM     32  N   LIG    1        1.177  -1.589   3.066  0.00  0.00    -0.239 NA
ATOM     33  C   LIG    1        0.541  -0.443   3.379  0.00  0.00    +0.117 A 
ENDBRANCH  24  31
ENDBRANCH  20  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 5