REMARK  Name = BDB012620
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.136  -0.896  -1.465  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1       -0.334   0.174  -1.189  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        0.862  -0.367  -0.760  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.796  -1.746  -0.792  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.410  -2.029  -1.227  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.032   0.392  -0.338  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        1.935   1.746  -0.380  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        3.014   2.452   0.011  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        4.197   1.878   0.445  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        4.291   0.486   0.485  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        3.182  -0.266   0.084  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.497  -0.192   0.928  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        5.629  -1.557   0.985  0.00  0.00    -0.130 NA
ATOM     14  N   LIG    1        6.845  -1.843   1.430  0.00  0.00    -0.068 NA
ATOM     15  N   LIG    1        7.473  -0.681   1.650  0.00  0.00    -0.264 N 
ATOM     16  H   LIG    1        8.425  -0.701   1.996  0.00  0.00    +0.190 HD
ATOM     17  C   LIG    1        6.675   0.383   1.352  0.00  0.00    +0.135 A 
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -2.495  -0.852  -1.978  0.00  0.00    +0.159 C 
BRANCH  18  22
ATOM     19  C   LIG    1       -4.999   0.609   0.569  0.00  0.00    +0.073 A 
ATOM     20  C   LIG    1       -4.082   0.531  -0.497  0.00  0.00    +0.057 A 
ATOM     21 CL   LIG    1       -3.675   1.967  -1.380  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1       -3.504  -0.705  -0.860  0.00  0.00    -0.009 A 
ATOM     23  C   LIG    1       -3.861  -1.857  -0.134  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -4.766  -1.788   0.921  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.330  -0.565   1.270  0.00  0.00    +0.014 A 
BRANCH  19  27
ATOM     26  F   LIG    1       -6.489   1.786   2.033  0.00  0.00    -0.166 F 
ATOM     27  C   LIG    1       -5.634   1.915   0.976  0.00  0.00    +0.419 C 
ATOM     28  F   LIG    1       -4.729   2.856   1.361  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -6.379   2.476  -0.017  0.00  0.00    -0.166 F 
ENDBRANCH  19  27
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 5