REMARK  Name = BDB061613
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.021  -3.187  -0.775  0.00  0.00    +0.184 C 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1       -4.428  -1.210   0.446  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1       -3.208  -1.166  -0.428  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1       -3.024  -0.191  -1.423  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -1.917  -0.255  -2.287  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1       -1.727   0.700  -3.430  0.00  0.00    +0.047 C 
ATOM      7  C   LIG    1       -0.927  -1.224  -2.056  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -1.060  -2.164  -1.027  0.00  0.00    -0.025 A 
ATOM      9  C   LIG    1       -2.203  -2.124  -0.220  0.00  0.00    +0.012 A 
BRANCH   4  10
ATOM     10  O   LIG    1       -3.973   0.779  -1.617  0.00  0.00    -0.475 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -3.818   1.966  -0.817  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -3.637   3.149  -1.788  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1       -5.171   2.193  -0.114  0.00  0.00    +0.067 C 
BRANCH  11  14
ATOM     14  C   LIG    1       -2.707   2.030   0.268  0.00  0.00    +0.348 C 
ATOM     15  O   LIG    1       -2.845   1.839   1.468  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -1.478   2.311  -0.220  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -0.889   2.217   0.557  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   4  10
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  N   LIG    1        0.952  -2.750   0.237  0.00  0.00    -0.208 N 
ATOM     19  C   LIG    1        2.086  -1.958   0.013  0.00  0.00    +0.351 A 
ATOM     20  O   LIG    1        2.496  -1.613  -1.086  0.00  0.00    -0.244 OA
ATOM     21  N   LIG    1        2.585  -1.673   1.275  0.00  0.00    -0.250 N 
ATOM     22  C   LIG    1        1.720  -2.274   2.125  0.00  0.00    +0.230 A 
ATOM     23  N   LIG    1        0.735  -2.917   1.580  0.00  0.00    -0.157 NA
BRANCH  21  24
ATOM     24  C   LIG    1        3.730  -0.908   1.607  0.00  0.00    +0.052 A 
ATOM     25  C   LIG    1        4.094  -0.683   2.945  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        5.230   0.071   3.276  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        6.035   0.631   2.279  0.00  0.00    +0.055 A 
ATOM     28  C   LIG    1        5.687   0.406   0.943  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1        4.551  -0.348   0.616  0.00  0.00    +0.027 A 
BRANCH  27  30
ATOM     30  C   LIG    1        7.271   1.420   2.635  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1        7.139   2.115   3.800  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        7.614   2.339   1.691  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        8.363   0.623   2.797  0.00  0.00    -0.166 F 
ENDBRANCH  27  30
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 8