REMARK  Name = BDB034321
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.118  -1.337  -0.859  0.00  0.00    -0.343 N 
ATOM      2  H   LIG    1        1.952  -0.337  -0.746  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        3.130  -1.725   0.048  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        4.309  -0.931   0.169  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        5.305  -1.355   1.077  0.00  0.00    +0.073 A 
ATOM      6  C   LIG    1        6.455  -0.592   1.231  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1        6.674   0.592   0.509  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1        5.707   1.001  -0.409  0.00  0.00    +0.013 A 
ATOM      9  N   LIG    1        5.204  -2.476   1.803  0.00  0.00    -0.255 NA
ATOM     10  C   LIG    1        4.104  -3.233   1.633  0.00  0.00    +0.113 A 
ATOM     11  C   LIG    1        4.542   0.251  -0.576  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        3.066  -2.912   0.778  0.00  0.00    +0.043 A 
BRANCH   7  13
ATOM     13  C   LIG    1        7.951   1.369   0.695  0.00  0.00    +0.417 C 
ATOM     14  F   LIG    1        8.967   0.887  -0.072  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        7.828   2.686   0.366  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        8.407   1.351   1.978  0.00  0.00    -0.166 F 
ENDBRANCH   7  13
ENDBRANCH   1   3
BRANCH   1  17
ATOM     17  C   LIG    1        0.847  -2.060  -0.899  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.030  -1.558  -2.050  0.00  0.00    +0.034 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.459  -0.087  -1.951  0.00  0.00    +0.086 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -1.098   0.298  -0.680  0.00  0.00    -0.302 NA
BRANCH  20  21
ATOM     21  C   LIG    1       -2.353  -0.424  -0.401  0.00  0.00    +0.084 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.532  -0.141  -1.345  0.00  0.00    +0.015 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.757  -1.020  -1.058  0.00  0.00    +0.001 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.383  -0.864   0.331  0.00  0.00    -0.000 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -6.597   0.626   1.960  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1       -5.894   0.549   0.613  0.00  0.00    -0.003 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
BRANCH  20  27
ATOM     27  C   LIG    1       -1.221   1.767  -0.603  0.00  0.00    +0.084 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.667   2.280   0.772  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1       -1.625   3.801   0.834  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH  20  27
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 13