REMARK  Name = BDB007767
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.699   1.829   0.718  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1        1.087  -0.249   2.602  0.00  0.00    -0.270 OA
ATOM      3  C   LIG    1        2.030   0.141   1.925  0.00  0.00    +0.245 C 
ATOM      4  N   LIG    1        1.967   1.207   1.054  0.00  0.00    -0.309 N 
ATOM      5  H   LIG    1        2.751   1.385   0.438  0.00  0.00    +0.149 HD
BRANCH   3   6
ATOM      6  C   LIG    1        3.360  -0.502   2.049  0.00  0.00    +0.044 A 
ATOM      7  C   LIG    1        4.050  -1.067   0.943  0.00  0.00    -0.006 A 
ATOM      8  C   LIG    1        5.341  -1.602   1.177  0.00  0.00    -0.017 A 
ATOM      9  C   LIG    1        6.073  -2.158   0.115  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        5.544  -2.208  -1.174  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.271  -1.711  -1.417  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.886  -1.583   2.473  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        5.173  -1.054   3.548  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        3.531  -1.154  -0.372  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        3.910  -0.515   3.338  0.00  0.00    +0.013 A 
ENDBRANCH   3   6
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1       -0.075   1.017  -0.329  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  O   LIG    1        0.659   1.021  -1.568  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1       -0.021   0.826  -2.247  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -1.471   1.626  -0.582  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.135   0.976  -1.738  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -2.692  -0.351  -1.396  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -3.970  -0.322  -0.585  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -4.807   0.809  -0.592  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -6.002   0.796   0.138  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -6.377  -0.340   0.856  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.559  -1.467   0.852  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.388   2.057  -1.327  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -4.363  -1.461   0.134  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -3.217   1.812  -2.291  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 6