REMARK  Name = BDB056336
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.303  -0.415   1.755  0.00  0.00    +0.177 C 
ATOM      2  C   LIG    1       -0.427  -1.690   1.411  0.00  0.00    +0.242 C 
ATOM      3  O   LIG    1       -0.156  -2.701   2.073  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -1.387  -1.708   0.397  0.00  0.00    -0.264 N 
ATOM      5  C   LIG    1       -1.953  -0.578  -0.347  0.00  0.00    +0.058 A 
ATOM      6  C   LIG    1       -1.859   0.815  -0.042  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -2.552   1.742  -0.871  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -3.267   1.370  -2.002  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -3.319   0.040  -2.341  0.00  0.00    +0.002 A 
ATOM     10  N   LIG    1       -1.166   1.415   1.077  0.00  0.00    -0.267 N 
ATOM     11  C   LIG    1       -0.538   2.674   0.928  0.00  0.00    +0.220 C 
ATOM     12  O   LIG    1       -0.249   3.154  -0.170  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -2.679  -0.900  -1.528  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -0.780   0.559   2.183  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  16
ATOM     15  C   LIG    1        2.433  -0.442   0.483  0.00  0.00    +0.230 C 
ATOM     16  N   LIG    1        1.159   0.043   0.659  0.00  0.00    -0.301 N 
ATOM     17  H   LIG    1        0.705   0.507  -0.120  0.00  0.00    +0.150 HD
ATOM     18  O   LIG    1        2.985  -1.135   1.337  0.00  0.00    -0.274 OA
BRANCH  15  19
ATOM     19  C   LIG    1        3.154   0.018  -0.816  0.00  0.00    +0.137 C 
ATOM     20  C   LIG    1        2.275  -0.050  -2.065  0.00  0.00    +0.034 C 
BRANCH  19  22
ATOM     21  C   LIG    1        4.269  -2.104  -1.414  0.00  0.00    +0.101 C 
ATOM     22  N   LIG    1        4.433  -0.721  -0.978  0.00  0.00    -0.309 NA
ATOM     23  H   LIG    1        4.873  -0.742  -0.053  0.00  0.00    +0.122 HD
ENDBRANCH  19  22
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH   4  24
ATOM     24  C   LIG    1       -1.916  -3.068   0.127  0.00  0.00    +0.149 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -1.220  -3.817  -0.998  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -1.980  -4.607  -1.877  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -1.368  -5.323  -2.908  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        0.014  -5.273  -3.065  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        0.785  -4.517  -2.186  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        0.174  -3.801  -1.155  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH   4  24
BRANCH  11  31
ATOM     31  C   LIG    1       -0.176   3.410   2.216  0.00  0.00    +0.099 C 
BRANCH  31  32
ATOM     32  C   LIG    1        0.061   4.917   2.010  0.00  0.00    -0.008 C 
ATOM     33  C   LIG    1        0.699   5.522   3.262  0.00  0.00    +0.008 C 
ATOM     34  C   LIG    1       -1.246   5.648   1.691  0.00  0.00    +0.008 C 
ENDBRANCH  31  32
ENDBRANCH  11  31
TORSDOF 7