REMARK  Name = BDB021991
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.253  -0.765  -1.195  0.00  0.00    -0.266 N 
ATOM      2  H   LIG    1        3.284  -1.755  -0.991  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1        2.076  -0.105  -0.911  0.00  0.00    +0.304 C 
ATOM      4  N   LIG    1        1.232  -0.908  -0.166  0.00  0.00    -0.296 N 
ATOM      5  H   LIG    1        1.691  -1.572   0.439  0.00  0.00    +0.151 HD
ATOM      6  O   LIG    1        1.780   1.029  -1.263  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.508   2.209  -3.647  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        5.743   1.147  -2.965  0.00  0.00    +0.104 A 
ATOM      9  O   LIG    1        6.333  -0.077  -2.901  0.00  0.00    -0.454 OA
ATOM     10  C   LIG    1        5.469  -0.908  -2.240  0.00  0.00    +0.229 A 
ATOM     11  C   LIG    1        4.325  -0.215  -1.882  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.511   1.111  -2.351  0.00  0.00    +0.068 A 
BRANCH  10  13
ATOM     13  C   LIG    1        5.908  -2.307  -2.050  0.00  0.00    +0.452 C 
ATOM     14  F   LIG    1        6.129  -2.951  -3.224  0.00  0.00    -0.163 F 
ATOM     15  F   LIG    1        7.050  -2.400  -1.321  0.00  0.00    -0.163 F 
ATOM     16  F   LIG    1        4.967  -3.036  -1.383  0.00  0.00    -0.163 F 
ENDBRANCH  10  13
ENDBRANCH   1  11
BRANCH   4  17
ATOM     17  C   LIG    1       -0.060  -0.402   0.295  0.00  0.00    +0.077 C 
ATOM     18  C   LIG    1        0.104   0.586   1.461  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1       -1.056   0.529   2.460  0.00  0.00    +0.086 C 
ATOM     20  N   LIG    1       -2.316   0.286   1.763  0.00  0.00    -0.298 NA
ATOM     21  C   LIG    1       -2.350  -1.045   1.135  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1       -0.973  -1.557   0.697  0.00  0.00    +0.038 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -3.473   0.511   2.644  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.799   0.509   1.911  0.00  0.00    -0.033 A 
ATOM     25  C   LIG    1       -5.814  -0.388   2.270  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -7.039  -0.378   1.599  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -7.261   0.530   0.565  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.261   1.429   0.200  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.037   1.420   0.871  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   4  17
TORSDOF 5