REMARK  Name = BDB047329
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.642  -0.567  -0.594  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.323   0.531  -1.409  0.00  0.00    +0.070 C 
BRANCH   2  11
ATOM      3  O   LIG    1       -3.882   2.935   1.707  0.00  0.00    -0.273 OA
ATOM      4  C   LIG    1       -3.833   2.243   0.695  0.00  0.00    +0.242 C 
ATOM      5  C   LIG    1       -5.090   1.786   0.002  0.00  0.00    +0.097 C 
ATOM      6  C   LIG    1       -4.888   0.304  -0.226  0.00  0.00    +0.083 C 
ATOM      7  C   LIG    1       -6.228  -0.119  -0.786  0.00  0.00    +0.023 C 
ATOM      8  C   LIG    1       -7.228   0.691   0.056  0.00  0.00    +0.003 C 
ATOM      9  N   LIG    1       -3.757   0.164  -1.105  0.00  0.00    -0.331 N 
ATOM     10  H   LIG    1       -3.591  -0.764  -1.485  0.00  0.00    +0.147 HD
ATOM     11  C   LIG    1       -2.644   0.908  -0.766  0.00  0.00    +0.088 C 
ATOM     12  C   LIG    1       -6.418   1.812   0.733  0.00  0.00    +0.015 C 
ATOM     13  N   LIG    1       -2.643   1.889   0.085  0.00  0.00    -0.170 NA
ENDBRANCH   2  11
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1        0.722  -0.928  -1.192  0.00  0.00    +0.085 C 
BRANCH  14  15
ATOM     15  N   LIG    1        1.337  -2.107  -0.556  0.00  0.00    -0.298 NA
ATOM     16  C   LIG    1        1.644  -1.925   0.875  0.00  0.00    +0.089 C 
ATOM     17  C   LIG    1        2.707  -0.847   1.156  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1        3.887  -0.953   0.217  0.00  0.00    -0.042 C 
ATOM     19  C   LIG    1        3.802  -1.722  -0.887  0.00  0.00    -0.008 C 
ATOM     20  C   LIG    1        2.570  -2.500  -1.264  0.00  0.00    +0.112 C 
BRANCH  18  21
ATOM     21  C   LIG    1        5.112  -0.196   0.544  0.00  0.00    -0.022 A 
ATOM     22  C   LIG    1        5.037   1.129   0.998  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        6.195   1.842   1.323  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        7.444   1.237   1.205  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        7.537  -0.080   0.763  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        6.379  -0.792   0.437  0.00  0.00    +0.008 A 
ENDBRANCH  18  21
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 5