REMARK  Name = BDB047336
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.312  -2.274  -0.906  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.646  -2.593  -1.579  0.00  0.00    +0.070 C 
BRANCH   2  12
ATOM      3  O   LIG    1       -4.281   1.070  -2.785  0.00  0.00    -0.273 OA
ATOM      4  C   LIG    1       -3.844   0.351  -1.889  0.00  0.00    +0.242 C 
ATOM      5  C   LIG    1       -4.255   0.574  -0.441  0.00  0.00    +0.097 C 
ATOM      6  C   LIG    1       -4.490  -0.791   0.189  0.00  0.00    +0.083 C 
ATOM      7  C   LIG    1       -4.750  -0.676   1.697  0.00  0.00    +0.023 C 
ATOM      8  C   LIG    1       -5.448   0.628   2.092  0.00  0.00    +0.002 C 
ATOM      9  C   LIG    1       -6.316   1.171   0.965  0.00  0.00    +0.001 C 
ATOM     10  N   LIG    1       -3.324  -1.613  -0.047  0.00  0.00    -0.331 N 
ATOM     11  H   LIG    1       -3.289  -2.503   0.444  0.00  0.00    +0.147 HD
ATOM     12  C   LIG    1       -2.692  -1.538  -1.261  0.00  0.00    +0.088 C 
ATOM     13  C   LIG    1       -5.498   1.465  -0.297  0.00  0.00    +0.014 C 
ATOM     14  N   LIG    1       -2.906  -0.622  -2.147  0.00  0.00    -0.170 NA
ENDBRANCH   2  12
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        0.366  -1.037  -1.514  0.00  0.00    +0.085 C 
BRANCH  15  16
ATOM     16  N   LIG    1        1.728  -0.826  -0.991  0.00  0.00    -0.298 NA
ATOM     17  C   LIG    1        2.417   0.212  -1.777  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1        3.893   0.347  -1.359  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1        4.064   0.388   0.139  0.00  0.00    -0.042 C 
ATOM     20  C   LIG    1        3.046   0.035   0.945  0.00  0.00    -0.008 C 
ATOM     21  C   LIG    1        1.719  -0.456   0.434  0.00  0.00    +0.112 C 
BRANCH  19  22
ATOM     22  C   LIG    1        5.348   0.847   0.695  0.00  0.00    -0.022 A 
ATOM     23  C   LIG    1        5.896   2.081   0.322  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1        7.118   2.506   0.850  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        7.807   1.701   1.754  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        7.275   0.471   2.133  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        6.052   0.046   1.606  0.00  0.00    +0.008 A 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5