REMARK  Name = BDB043111
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.070  -1.473  -0.777  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1       -1.641  -2.016  -1.021  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1       -1.396  -3.220  -0.916  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -0.702  -1.127  -1.511  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -0.933   0.280  -1.818  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1        0.468   0.826  -2.134  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1        1.201  -0.400  -2.688  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1        2.721  -0.280  -2.700  0.00  0.00    +0.021 C 
ATOM      9  C   LIG    1        3.357  -0.450  -1.319  0.00  0.00    +0.085 C 
ATOM     10  N   LIG    1        2.931  -1.720  -0.731  0.00  0.00    -0.300 NA
ATOM     11  C   LIG    1        1.480  -1.734  -0.502  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1       -1.934   0.489  -2.968  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1       -2.881  -0.675  -3.270  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        0.671  -1.540  -1.805  0.00  0.00    +0.094 C 
ATOM     15  C   LIG    1       -3.762  -1.177  -2.119  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1       -2.758  -0.385   1.422  0.00  0.00    +0.230 C 
ATOM     17  N   LIG    1       -3.127  -0.297   0.090  0.00  0.00    -0.303 N 
ATOM     18  H   LIG    1       -3.908   0.348  -0.023  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1       -2.132  -1.325   1.895  0.00  0.00    -0.274 OA
BRANCH  16  20
ATOM     20  C   LIG    1       -3.164   0.877   2.224  0.00  0.00    +0.137 C 
ATOM     21  C   LIG    1       -3.105   0.600   3.724  0.00  0.00    +0.034 C 
BRANCH  20  23
ATOM     22  C   LIG    1       -4.815   2.675   2.134  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1       -4.517   1.295   1.768  0.00  0.00    -0.309 NA
ATOM     24  H   LIG    1       -5.207   0.680   2.206  0.00  0.00    +0.122 HD
ENDBRANCH  20  23
ENDBRANCH  16  20
ENDBRANCH   1  17
BRANCH  10  25
ATOM     25  C   LIG    1        3.706  -2.103   0.462  0.00  0.00    +0.089 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.409  -1.437   1.824  0.00  0.00    +0.050 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.755   0.027   1.937  0.00  0.00    -0.046 A 
ATOM     28  C   LIG    1        5.079   0.466   1.799  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1        5.391   1.823   1.907  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.385   2.752   2.162  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        3.066   2.327   2.313  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        2.753   0.971   2.204  0.00  0.00    +0.003 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 6