REMARK  Name = BDB010149
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.538  -0.729  -0.012  0.00  0.00    +0.149 A 
ATOM      2  C   LIG    1       -0.155  -0.886  -0.049  0.00  0.00    +0.130 A 
ATOM      3  C   LIG    1        0.416  -2.105   0.276  0.00  0.00    +0.185 A 
ATOM      4  N   LIG    1        1.775  -2.071   0.172  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1        2.067  -0.859  -0.232  0.00  0.00    +0.201 A 
ATOM      6  N   LIG    1       -0.281  -3.191   0.639  0.00  0.00    -0.200 NA
ATOM      7  C   LIG    1       -1.602  -2.977   0.632  0.00  0.00    +0.242 A 
ATOM      8  N   LIG    1        0.925  -0.097  -0.383  0.00  0.00    -0.303 N 
ATOM      9  N   LIG    1       -2.244  -1.824   0.326  0.00  0.00    -0.205 NA
ENDROOT
BRANCH   5  10
ATOM     10  N   LIG    1        3.300  -0.368  -0.543  0.00  0.00    -0.294 N 
ATOM     11  C   LIG    1        4.228  -1.357  -1.181  0.00  0.00    +0.099 C 
ATOM     12  C   LIG    1        3.821  -1.579  -2.639  0.00  0.00    +0.030 C 
ATOM     13  C   LIG    1        5.681  -0.834  -1.122  0.00  0.00    +0.182 C 
ATOM     14  O   LIG    1        6.171  -0.646   0.215  0.00  0.00    -0.376 OA
ATOM     15  C   LIG    1        5.126  -0.380   1.161  0.00  0.00    +0.179 C 
ATOM     16  C   LIG    1        3.956   0.402   0.548  0.00  0.00    +0.136 C 
ENDBRANCH   5  10
BRANCH   1  17
ATOM     17  N   LIG    1       -2.164   0.471  -0.313  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1       -1.644   1.266   0.038  0.00  0.00    +0.148 HD
BRANCH  17  20
ATOM     19  C   LIG    1       -4.003   0.573   1.346  0.00  0.00    +0.028 C 
ATOM     20  C   LIG    1       -3.608   0.651  -0.127  0.00  0.00    +0.072 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.392  -0.202  -1.092  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1       -5.283  -1.351  -0.679  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -5.897  -0.078  -1.187  0.00  0.00    +0.005 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   1  17
BRANCH   7  24
ATOM     24  C   LIG    1       -2.453  -4.157   1.025  0.00  0.00    +0.375 C 
ATOM     25  O   LIG    1       -2.066  -5.281   1.299  0.00  0.00    -0.242 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -3.778  -3.882   1.068  0.00  0.00    -0.475 OA
ATOM     27  H   LIG    1       -4.181  -4.735   1.330  0.00  0.00    +0.296 HD
ENDBRANCH  24  26
ENDBRANCH   7  24
BRANCH   8  28
ATOM     28  C   LIG    1        0.879   1.235  -0.968  0.00  0.00    +0.160 C 
BRANCH  28  29
ATOM     29  C   LIG    1        0.601   2.356   0.016  0.00  0.00    -0.028 A 
ATOM     30  C   LIG    1        0.676   2.212   1.411  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1        0.405   3.292   2.257  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        0.062   4.529   1.718  0.00  0.00    +0.041 A 
ATOM     33 CL   LIG    1       -0.273   5.854   2.760  0.00  0.00    -0.084 Cl
ATOM     34  C   LIG    1       -0.009   4.696   0.339  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1        0.262   3.617  -0.506  0.00  0.00    +0.007 A 
ENDBRANCH  28  29
ENDBRANCH   8  28
TORSDOF 8