REMARK  Name = BDB058190
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.797  -0.096   0.211  0.00  0.00    +0.165 A 
ATOM      2  N   LIG    1        1.726   1.231   0.416  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1        0.497   1.715   0.572  0.00  0.00    +0.131 A 
ATOM      4  N   LIG    1        0.203   3.077   0.849  0.00  0.00    -0.307 N 
ATOM      5  C   LIG    1       -1.261   3.189   0.625  0.00  0.00    +0.105 C 
ATOM      6  C   LIG    1       -1.852   1.769   0.725  0.00  0.00    +0.066 C 
ATOM      7  C   LIG    1       -1.528   3.856  -0.742  0.00  0.00    +0.182 C 
ATOM      8  O   LIG    1       -0.949   5.168  -0.854  0.00  0.00    -0.376 OA
ATOM      9  C   LIG    1        0.274   5.329  -0.108  0.00  0.00    +0.179 C 
ATOM     10  C   LIG    1        1.048   4.016   0.098  0.00  0.00    +0.135 C 
ATOM     11  C   LIG    1       -0.641   0.942   0.489  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -0.497  -0.404   0.272  0.00  0.00    +0.130 A 
ATOM     13  N   LIG    1        0.732  -0.929   0.137  0.00  0.00    -0.212 NA
ENDROOT
BRANCH  12  14
ATOM     14  N   LIG    1       -1.634  -1.227   0.189  0.00  0.00    -0.310 N 
ATOM     15  C   LIG    1       -1.380  -2.613   0.664  0.00  0.00    +0.138 C 
ATOM     16  C   LIG    1       -2.640  -3.486   0.438  0.00  0.00    +0.136 C 
ATOM     17  O   LIG    1       -2.899  -3.542  -0.987  0.00  0.00    -0.370 OA
ATOM     18  C   LIG    1       -3.394  -2.211  -1.267  0.00  0.00    +0.136 C 
ATOM     19  C   LIG    1       -4.424  -1.991  -0.163  0.00  0.00    +0.036 C 
ATOM     20  C   LIG    1       -3.912  -2.849   0.991  0.00  0.00    +0.036 C 
ATOM     21  C   LIG    1       -2.206  -1.218  -1.183  0.00  0.00    +0.138 C 
ENDBRANCH  12  14
BRANCH   1  25
ATOM     22  C   LIG    1        5.706  -1.712  -0.269  0.00  0.00    +0.116 A 
ATOM     23  N   LIG    1        5.560  -0.408   0.000  0.00  0.00    -0.240 NA
ATOM     24  C   LIG    1        4.295   0.069   0.149  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1        3.131  -0.689   0.042  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        3.328  -2.047  -0.240  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1        4.616  -2.563  -0.396  0.00  0.00    +0.044 A 
BRANCH  22  28
ATOM     28  N   LIG    1        7.005  -2.205  -0.421  0.00  0.00    -0.343 N 
ATOM     29  H   LIG    1        7.175  -2.929   0.270  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1        7.108  -2.613  -1.344  0.00  0.00    +0.144 HD
ENDBRANCH  22  28
ENDBRANCH   1  25
TORSDOF 3