REMARK  Name = BDB013155
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.487  -0.215   0.314  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        0.571  -1.199  -0.161  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.768  -0.945   0.008  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.414  -2.053  -0.455  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.542  -2.909  -0.936  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.261   0.227   0.586  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.428   1.121   1.044  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.713  -2.369  -0.753  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.923   0.868   0.899  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        3.291  -2.708   1.322  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1        3.711  -1.443   0.667  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        2.913  -0.357   0.225  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        3.803   0.548  -0.334  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1        3.589   1.849  -1.021  0.00  0.00    +0.066 C 
ATOM     15  N   LIG    1        5.048  -0.013  -0.159  0.00  0.00    -0.265 N 
ATOM     16  N   LIG    1        5.010  -1.218   0.441  0.00  0.00    -0.175 NA
BRANCH  15  17
ATOM     17  C   LIG    1        6.344   0.534  -0.558  0.00  0.00    +0.101 C 
ATOM     18  C   LIG    1        6.925  -0.239  -1.740  0.00  0.00    +0.032 C 
ATOM     19  C   LIG    1        7.328   0.583   0.613  0.00  0.00    +0.032 C 
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   6  20
ATOM     20  N   LIG    1       -2.617   0.442   0.699  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.751   1.219   1.347  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.391   0.737  -0.504  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.793   1.119  -0.116  0.00  0.00    -0.024 A 
ATOM     24  C   LIG    1       -5.720   0.178   0.325  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -5.571  -1.280   0.551  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -7.042  -1.654   0.739  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -7.780  -0.480   1.145  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -6.996   0.560   0.717  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -7.410   1.875   0.693  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1       -6.502   2.836   0.250  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -5.207   2.463  -0.149  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5