REMARK  Name = BDB041256
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.374  -1.547   1.978  0.00  0.00    +0.201 C 
ATOM      2  C   LIG    1        1.536  -1.826   3.253  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        0.321  -1.822   2.400  0.00  0.00    -0.291 NA
ATOM      4  C   LIG    1        1.045  -0.962   1.430  0.00  0.00    +0.130 C 
ENDROOT
BRANCH   1   5
ATOM      5  O   LIG    1        3.478  -0.631   2.159  0.00  0.00    -0.485 OA
BRANCH   5   9
ATOM      6  C   LIG    1        5.692   0.692  -1.046  0.00  0.00    +0.126 A 
ATOM      7  N   LIG    1        4.759  -0.262  -1.293  0.00  0.00    -0.247 NA
ATOM      8  C   LIG    1        4.034  -0.702  -0.237  0.00  0.00    +0.157 A 
ATOM      9  C   LIG    1        4.184  -0.225   1.058  0.00  0.00    +0.139 A 
ATOM     10  C   LIG    1        5.151   0.751   1.282  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1        5.922   1.222   0.220  0.00  0.00    +0.036 A 
BRANCH   6  15
ATOM     12  C   LIG    1        7.433   3.088  -3.411  0.00  0.00    +0.128 C 
ATOM     13  N   LIG    1        6.789   2.517  -2.255  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1        6.249   3.136  -1.665  0.00  0.00    +0.149 HD
ATOM     15  C   LIG    1        6.493   1.160  -2.226  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1        6.842   0.383  -3.107  0.00  0.00    -0.269 OA
ENDBRANCH   6  15
ENDBRANCH   5   9
ENDBRANCH   1   5
BRANCH   3  17
ATOM     17  C   LIG    1       -0.764  -1.088   3.057  0.00  0.00    +0.121 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.979  -0.972   2.171  0.00  0.00    -0.013 A 
ATOM     19  C   LIG    1       -2.419   0.266   1.686  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1       -3.546   0.308   0.875  0.00  0.00    +0.068 A 
ATOM     21  C   LIG    1       -4.203  -0.880   0.572  0.00  0.00    +0.088 A 
ATOM     22  C   LIG    1       -5.386  -0.833  -0.278  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1       -5.861   0.319  -0.796  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1       -5.142   1.603  -0.429  0.00  0.00    +0.253 A 
ATOM     25  O   LIG    1       -5.538   2.697  -0.826  0.00  0.00    -0.268 OA
ATOM     26  N   LIG    1       -3.809  -2.089   1.020  0.00  0.00    -0.253 NA
ATOM     27  N   LIG    1       -4.030   1.516   0.368  0.00  0.00    -0.321 N 
ATOM     28  H   LIG    1       -3.576   2.392   0.586  0.00  0.00    +0.169 HD
ATOM     29  C   LIG    1       -2.704  -2.107   1.804  0.00  0.00    +0.116 A 
BRANCH  23  30
ATOM     30  C   LIG    1       -7.067   0.379  -1.651  0.00  0.00    +0.024 C 
ATOM     31  C   LIG    1       -6.925   0.837  -3.082  0.00  0.00    +0.009 C 
ATOM     32  C   LIG    1       -7.249  -0.597  -2.790  0.00  0.00    +0.009 C 
ENDBRANCH  23  30
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 6