REMARK  Name = BDB034414
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.757  -0.742  -1.023  0.00  0.00    +0.034 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.262   0.595  -0.464  0.00  0.00    +0.083 C 
BRANCH   2   3
ATOM      3  N   LIG    1       -1.545   0.646   0.973  0.00  0.00    -0.312 NA
ATOM      4  H   LIG    1       -0.702   0.435   1.505  0.00  0.00    +0.122 HD
BRANCH   3   5
ATOM      5  C   LIG    1       -2.629  -0.237   1.413  0.00  0.00    +0.120 C 
BRANCH   5   7
ATOM      6  C   LIG    1       -4.828  -0.824   0.239  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -3.987   0.115   0.850  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -4.440   1.446   0.938  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -5.671   1.819   0.395  0.00  0.00    +0.018 A 
ATOM     10 BR   LIG    1       -6.242   3.617   0.513  0.00  0.00    -0.050 Br
ATOM     11  C   LIG    1       -6.476   0.879  -0.240  0.00  0.00    +0.019 A 
ATOM     12  C   LIG    1       -6.051  -0.446  -0.318  0.00  0.00    +0.047 A 
BRANCH   6  13
ATOM     13  O   LIG    1       -4.516  -2.150   0.144  0.00  0.00    -0.506 OA
ATOM     14  H   LIG    1       -4.074  -2.418   0.965  0.00  0.00    +0.292 HD
ENDBRANCH   6  13
ENDBRANCH   5   7
ENDBRANCH   3   5
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        0.491  -1.313  -0.347  0.00  0.00    +0.103 C 
BRANCH  15  16
ATOM     16  N   LIG    1        1.650  -0.452  -0.564  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1        1.451   0.528  -0.380  0.00  0.00    +0.146 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.909  -0.799  -0.028  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        3.994   0.124  -0.102  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1        5.244  -0.275   0.434  0.00  0.00    +0.074 A 
ATOM     21  C   LIG    1        6.315   0.605   0.402  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1        6.195   1.872  -0.161  0.00  0.00    +0.043 A 
ATOM     23  C   LIG    1        4.990   2.281  -0.712  0.00  0.00    +0.021 A 
ATOM     24 CL   LIG    1        7.549   2.933  -0.184  0.00  0.00    -0.083 Cl
ATOM     25  N   LIG    1        5.453  -1.484   0.972  0.00  0.00    -0.255 NA
ATOM     26  C   LIG    1        4.431  -2.358   0.971  0.00  0.00    +0.113 A 
ATOM     27  C   LIG    1        3.899   1.413  -0.685  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        3.171  -2.073   0.482  0.00  0.00    +0.043 A 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 8