REMARK  Name = BDB059135
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.528   0.969  -1.438  0.00  0.00    +0.023 C 
ATOM      2  C   LIG    1        1.657   0.144  -2.062  0.00  0.00    +0.148 C 
ATOM      3  C   LIG    1        2.871   1.081  -1.981  0.00  0.00    +0.166 C 
ATOM      4  C   LIG    1        2.657   1.907  -0.699  0.00  0.00    +0.120 C 
ATOM      5  C   LIG    1        1.218   1.608  -0.229  0.00  0.00    +0.034 C 
ENDROOT
BRANCH   4   6
ATOM      6  N   LIG    1        3.656   1.675   0.332  0.00  0.00    -0.326 N 
ATOM      7  C   LIG    1        3.980   0.462   0.892  0.00  0.00    +0.146 A 
ATOM      8  C   LIG    1        4.976   0.676   1.835  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1        5.447  -0.450   2.524  0.00  0.00    +0.129 A 
ATOM     10  N   LIG    1        4.914  -1.655   2.244  0.00  0.00    -0.220 NA
ATOM     11  C   LIG    1        3.955  -1.723   1.301  0.00  0.00    +0.225 A 
ATOM     12  C   LIG    1        5.258   2.070   1.831  0.00  0.00    +0.032 A 
ATOM     13  N   LIG    1        3.424  -0.721   0.578  0.00  0.00    -0.218 NA
ATOM     14  C   LIG    1        4.429   2.661   0.901  0.00  0.00    +0.089 A 
BRANCH   9  15
ATOM     15  N   LIG    1        6.428  -0.400   3.503  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1        6.419  -1.244   4.063  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1        6.481   0.474   4.007  0.00  0.00    +0.144 HD
ENDBRANCH   9  15
ENDBRANCH   4   6
BRANCH   2  18
ATOM     18  O   LIG    1        1.383  -0.184  -3.422  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1        0.688  -0.867  -3.417  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1        2.857   1.962  -3.119  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1        2.517   1.405  -3.851  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   1  22
ATOM     22  C   LIG    1       -0.699   0.121  -1.085  0.00  0.00    +0.011 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -1.822   0.948  -0.445  0.00  0.00    +0.035 C 
BRANCH  23  29
ATOM     24  C   LIG    1       -7.497  -2.619  -0.185  0.00  0.00    +0.065 C 
ATOM     25  C   LIG    1       -6.394  -2.120   0.667  0.00  0.00    +0.040 A 
ATOM     26  N   LIG    1       -5.335  -1.367   0.203  0.00  0.00    -0.304 N 
ATOM     27  C   LIG    1       -4.524  -1.099   1.302  0.00  0.00    +0.138 A 
ATOM     28  C   LIG    1       -3.351  -0.324   1.077  0.00  0.00    +0.050 A 
ATOM     29  C   LIG    1       -3.048   0.114  -0.165  0.00  0.00    -0.043 A 
ATOM     30  C   LIG    1       -3.934  -0.185  -1.291  0.00  0.00    +0.022 A 
ATOM     31  N   LIG    1       -5.008  -1.635   2.402  0.00  0.00    -0.236 NA
ATOM     32  C   LIG    1       -5.045  -0.913  -1.083  0.00  0.00    +0.093 A 
ATOM     33  C   LIG    1       -6.162  -2.266   2.019  0.00  0.00    +0.134 A 
ENDBRANCH  23  29
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 7