REMARK  Name = BDB013025
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.991  -0.320   0.062  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.182   0.684   0.666  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -1.175   0.597   0.470  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.704   1.694   1.082  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.752   2.379   1.673  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.779  -0.431  -0.258  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -1.039  -1.345  -0.824  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.441   1.742   1.409  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.329  -1.270  -0.637  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.285  -0.507   0.429  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1        4.478  -0.267   1.548  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        3.086  -0.207   1.421  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        2.467  -0.396   0.178  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        3.279  -0.629  -0.942  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        4.670  -0.691  -0.816  0.00  0.00    +0.005 A 
BRANCH  10  16
ATOM     16  C   LIG    1        6.792  -0.584   0.566  0.00  0.00    +0.119 C 
BRANCH  16  18
ATOM     17  C   LIG    1        7.298   1.737   0.063  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1        7.513   0.341  -0.328  0.00  0.00    -0.304 NA
ATOM     19  C   LIG    1        8.944   0.036  -0.313  0.00  0.00    +0.104 C 
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1       -3.149  -0.485  -0.412  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -3.336  -1.178  -1.139  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.981  -0.830   0.741  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.418  -0.944   0.321  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -6.140   0.126  -0.201  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -5.711   1.510  -0.517  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -7.079   2.148  -0.758  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -8.028   1.114  -1.101  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -7.466  -0.026  -0.589  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -8.134  -1.229  -0.480  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -7.438  -2.311   0.055  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -6.101  -2.162   0.449  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -5.465  -3.228   0.955  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6