REMARK  Name = BDB014767
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.388   5.070   1.286  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -1.099   4.328   1.046  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -1.181   3.084   0.432  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        0.110   2.435   0.132  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -0.080   0.996  -0.186  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        0.862  -0.047  -0.400  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1        0.232  -1.192  -0.681  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.082  -0.904  -0.622  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -1.315   0.408  -0.352  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -2.612   1.107  -0.209  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -2.367   2.627  -0.327  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -0.027   4.821   1.399  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        2.199   0.168  -0.318  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        2.503   1.097  -0.057  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.303  -0.699  -0.488  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        3.187  -2.054  -0.823  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        4.318  -2.863  -0.984  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1        5.587  -2.321  -0.814  0.00  0.00    +0.018 A 
ATOM     19 BR   LIG    1        7.115  -3.411  -1.031  0.00  0.00    -0.050 Br
ATOM     20  C   LIG    1        5.734  -0.979  -0.484  0.00  0.00    +0.017 A 
ATOM     21  C   LIG    1        4.599  -0.177  -0.324  0.00  0.00    +0.024 A 
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  22
ATOM     22  C   LIG    1       -2.058  -1.961  -0.855  0.00  0.00    +0.147 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.575  -2.540   0.430  0.00  0.00    +0.010 C 
ATOM     24  C   LIG    1       -3.123  -3.945   0.463  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -1.817  -3.634   1.139  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 4