REMARK  Name = BDB040789
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.193   0.035  -0.486  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1       -3.675  -0.766  -1.502  0.00  0.00    +0.132 A 
ATOM      3  F   LIG    1       -4.507  -1.424  -2.322  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -2.300  -0.915  -1.691  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -1.390  -0.263  -0.852  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -1.901   0.551   0.164  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -3.278   0.689   0.339  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1       -3.721   1.468   1.336  0.00  0.00    -0.205 F 
ENDROOT
BRANCH   1  15
ATOM      9  O   LIG    1       -9.094   1.580   1.594  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -8.058   1.161   1.085  0.00  0.00    +0.219 C 
ATOM     11  N   LIG    1       -7.241   1.987   0.355  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1       -7.545   2.947   0.272  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1       -6.138   1.644  -0.390  0.00  0.00    +0.227 C 
ATOM     14  O   LIG    1       -5.613   2.474  -1.130  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -5.686   0.187  -0.304  0.00  0.00    +0.111 C 
ATOM     16  C   LIG    1       -6.151  -0.449   1.010  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1       -7.656  -0.291   1.154  0.00  0.00    +0.097 C 
ENDBRANCH   1  15
BRANCH   5  18
ATOM     18  N   LIG    1       -0.001  -0.398  -1.044  0.00  0.00    -0.326 N 
ATOM     19  C   LIG    1        0.692  -1.486  -1.682  0.00  0.00    +0.129 C 
ATOM     20  C   LIG    1        1.985  -0.934  -1.049  0.00  0.00    +0.109 C 
ATOM     21  C   LIG    1        1.037  -0.220  -0.063  0.00  0.00    +0.129 C 
BRANCH  20  22
ATOM     22  N   LIG    1        2.690  -0.026  -1.921  0.00  0.00    -0.292 N 
ATOM     23  H   LIG    1        2.067   0.568  -2.465  0.00  0.00    +0.151 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.848   0.570  -1.584  0.00  0.00    +0.308 A 
ATOM     25  O   LIG    1        4.604   0.001  -0.598  0.00  0.00    -0.405 OA
ATOM     26  C   LIG    1        5.671   0.859  -0.530  0.00  0.00    +0.250 A 
ATOM     27  N   LIG    1        5.571   1.857  -1.385  0.00  0.00    -0.106 NA
ATOM     28  N   LIG    1        4.388   1.665  -2.070  0.00  0.00    -0.092 NA
BRANCH  26  29
ATOM     29  C   LIG    1        6.713   0.560   0.443  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1        6.658  -0.577   1.265  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1        7.671  -0.840   2.191  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        8.753   0.030   2.307  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        8.824   1.163   1.499  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        7.811   1.425   0.573  0.00  0.00    +0.013 A 
ENDBRANCH  26  29
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH   5  18
TORSDOF 5