REMARK  Name = BDB021729
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.642  -0.705  -0.806  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.698   0.211  -0.688  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.885  -0.241  -1.228  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        2.971  -1.246  -1.267  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        1.562   1.298  -0.135  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        4.078   0.485  -1.414  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        5.228  -0.245  -1.733  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1        6.437   0.414  -1.954  0.00  0.00    +0.043 A 
ATOM      9 CL   LIG    1        7.843  -0.497  -2.352  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1        6.517   1.801  -1.863  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1        5.377   2.545  -1.540  0.00  0.00    -0.047 A 
ATOM     12  C   LIG    1        5.437   4.043  -1.476  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1        4.159   1.879  -1.334  0.00  0.00    +0.026 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1       -2.903   0.529   1.165  0.00  0.00    -0.300 NA
ATOM     15  C   LIG    1       -2.299   1.480   0.231  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1       -1.422   0.730  -0.776  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1       -0.640  -0.424  -0.127  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1       -0.509  -0.226   1.388  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1       -1.895  -0.099   2.036  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1       -4.065   1.032   1.930  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1       -3.844   2.413   2.564  0.00  0.00    +0.024 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -5.318   1.004   1.022  0.00  0.00    +0.018 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -7.016   0.450   2.854  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -6.642   1.371   1.704  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH   1  25
ATOM     25  C   LIG    1        0.587  -1.665  -1.916  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1        1.296  -2.970  -1.629  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        2.080  -3.571  -2.626  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        2.739  -4.777  -2.383  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        2.613  -5.403  -1.145  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        1.825  -4.826  -0.151  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        1.166  -3.619  -0.393  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7