REMARK  Name = BDB013018
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.220  -0.276   0.170  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        2.495  -1.261  -0.556  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        1.129  -1.274  -0.412  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.692  -2.314  -1.178  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.712  -2.889  -1.775  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.429  -0.365   0.393  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        1.101   0.531   1.065  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.852  -2.224  -1.382  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        2.477   0.544   0.946  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        6.720   1.186   0.055  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        5.328   1.108   0.065  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        4.693  -0.137   0.158  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        5.523  -1.257   0.213  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1        6.879  -1.211   0.216  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        7.445   0.010   0.135  0.00  0.00    +0.111 A 
ENDBRANCH   1  12
BRANCH   6  16
ATOM     16  N   LIG    1       -0.944  -0.441   0.452  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1       -1.449  -0.937  -0.272  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.731   0.561   1.144  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.191   0.228   0.995  0.00  0.00    -0.024 A 
ATOM     20  C   LIG    1       -3.971   0.755  -0.030  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.634   1.752  -1.075  0.00  0.00    +0.080 C 
ATOM     22  C   LIG    1       -4.862   1.599  -1.973  0.00  0.00    +0.234 C 
ATOM     23  O   LIG    1       -5.946   1.038  -1.199  0.00  0.00    -0.491 OA
ATOM     24  C   LIG    1       -5.312   0.418  -0.153  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1       -5.936  -0.450   0.718  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -5.170  -1.010   1.740  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -3.810  -0.679   1.874  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   6  16
TORSDOF 4