REMARK  Name = BDB003684
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.139  -0.607   1.281  0.00  0.00    -0.338 N 
ATOM      2  H   LIG    1       -0.255   0.412   1.310  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.231  -0.814   0.912  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        1.893   0.130   0.103  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1        3.228  -0.135  -0.269  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        3.893   0.811  -1.059  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        3.234   1.968  -1.459  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.923   2.138  -1.060  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1        3.858  -1.324   0.142  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        3.170  -2.259   0.912  0.00  0.00    +0.003 A 
ATOM     11  N   LIG    1        1.239   1.246  -0.304  0.00  0.00    -0.253 NA
ATOM     12  C   LIG    1        1.855  -2.009   1.290  0.00  0.00    +0.025 A 
ENDBRANCH   1   3
BRANCH   1  13
ATOM     13  C   LIG    1       -1.028  -1.151   0.249  0.00  0.00    +0.140 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -2.459   0.827  -0.481  0.00  0.00    +0.122 A 
ATOM     15  C   LIG    1       -2.316  -0.368   0.236  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -3.416  -0.839   0.974  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -4.628  -0.146   0.958  0.00  0.00    +0.018 A 
ATOM     18 BR   LIG    1       -6.097  -0.804   1.950  0.00  0.00    -0.050 Br
ATOM     19  C   LIG    1       -4.765   1.023   0.215  0.00  0.00    +0.019 A 
ATOM     20  C   LIG    1       -3.675   1.509  -0.506  0.00  0.00    +0.047 A 
BRANCH  14  21
ATOM     21  O   LIG    1       -1.441   1.396  -1.192  0.00  0.00    -0.506 OA
ATOM     22  H   LIG    1       -0.572   1.137  -0.815  0.00  0.00    +0.292 HD
ENDBRANCH  14  21
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 4