REMARK  Name = BDB021385
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.947  -2.768   2.104  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        2.864  -1.749   2.072  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        2.451  -0.930   1.120  0.00  0.00    +0.152 A 
ATOM      4  N   LIG    1        1.274  -1.384   0.554  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1        0.612  -0.700  -0.482  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1        1.136   0.382  -0.986  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        2.325   0.828  -0.444  0.00  0.00    +0.128 A 
ATOM      8  C   LIG    1        3.004   0.274   0.587  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1        0.959  -2.574   1.168  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        4.232   0.866   1.059  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1        4.555   1.217   2.394  0.00  0.00    +0.063 A 
ATOM     12 BR   LIG    1        3.474   1.076   3.917  0.00  0.00    -0.046 Br
ATOM     13  C   LIG    1        5.821   1.739   2.359  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1        6.193   1.693   1.051  0.00  0.00    -0.283 N 
ATOM     15  H   LIG    1        7.072   1.989   0.638  0.00  0.00    +0.188 HD
ATOM     16  N   LIG    1        5.240   1.212   0.234  0.00  0.00    -0.173 NA
ENDBRANCH   8  10
BRANCH   1  18
ATOM     17  N   LIG    1        2.143  -4.771   3.738  0.00  0.00    -0.189 NA
ATOM     18  C   LIG    1        2.075  -3.868   3.012  0.00  0.00    +0.121 C 
ENDBRANCH   1  18
BRANCH   5  19
ATOM     19  N   LIG    1       -0.583  -1.161  -0.987  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -0.789  -0.636  -1.837  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -1.765  -1.217  -0.131  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.973  -0.691  -0.852  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -3.141   0.661  -1.140  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -2.240   1.815  -0.896  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -3.214   2.956  -1.186  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -4.270   2.465  -2.043  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -4.262   1.112  -1.826  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -5.256   0.258  -2.258  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -5.114  -1.100  -1.973  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -3.987  -1.559  -1.279  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -3.886  -2.872  -1.025  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   5  19
TORSDOF 5