REMARK  Name = BDB028095
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.078   0.827   0.261  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.141  -0.178   0.065  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -2.011  -1.216   0.683  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.315   0.228  -1.078  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.837   1.414  -1.588  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -1.249   2.022  -2.682  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -0.124   1.412  -3.252  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        0.399   0.201  -2.736  0.00  0.00    -0.030 A 
ATOM      9  C   LIG    1       -0.208  -0.397  -1.622  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1       -3.039   1.819  -0.803  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -7.096  -1.140   3.478  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -6.189  -0.652   2.810  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -6.142  -0.825   1.450  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -6.873  -1.396   1.051  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -5.308  -0.203   0.549  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -5.512  -0.308  -0.660  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -4.230   0.713   1.149  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -3.874   0.267   2.567  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -5.133   0.242   3.419  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1        1.625  -0.424  -3.356  0.00  0.00    +0.141 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.827   0.005  -2.672  0.00  0.00    -0.295 N 
ATOM     22  H   LIG    1        2.930   1.001  -2.557  0.00  0.00    +0.151 HD
ATOM     23  C   LIG    1        3.381  -0.773  -1.675  0.00  0.00    +0.304 C 
ATOM     24  N   LIG    1        4.466  -0.137  -1.112  0.00  0.00    -0.269 N 
ATOM     25  H   LIG    1        4.826   0.645  -1.637  0.00  0.00    +0.156 HD
ATOM     26  O   LIG    1        2.947  -1.878  -1.381  0.00  0.00    -0.252 OA
BRANCH  24  27
ATOM     27  C   LIG    1        5.233  -0.564  -0.010  0.00  0.00    +0.035 A 
ATOM     28  C   LIG    1        4.888  -1.644   0.805  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1        5.696  -2.002   1.891  0.00  0.00    +0.017 A 
ATOM     30  C   LIG    1        6.850  -1.275   2.167  0.00  0.00    +0.018 A 
ATOM     31 BR   LIG    1        7.940  -1.757   3.633  0.00  0.00    -0.050 Br
ATOM     32  C   LIG    1        7.204  -0.191   1.368  0.00  0.00    +0.017 A 
ATOM     33  C   LIG    1        6.395   0.164   0.284  0.00  0.00    +0.024 A 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 4