REMARK  Name = BDB013986
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.555  -1.304  -0.587  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.747  -0.935   0.675  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        1.299  -0.384   1.634  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.623  -1.215   0.646  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -1.229  -2.134  -0.274  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.548  -3.294  -0.708  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -1.161  -4.156  -1.635  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -2.442  -3.895  -2.111  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -3.132  -2.777  -1.658  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.791  -3.689  -0.136  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -2.533  -1.909  -0.742  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.925  -2.782  -0.594  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        2.680   0.803  -1.165  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.757  -0.469  -0.623  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        3.363  -0.555   0.186  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        1.703   1.204  -1.795  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        3.921   1.681  -0.888  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        3.771   2.325   0.488  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        4.519   2.219  -3.182  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        4.051   2.745  -1.905  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        3.120   3.148  -2.045  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.462  -0.540   1.640  0.00  0.00    +0.149 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -1.948   0.855   1.272  0.00  0.00    -0.018 A 
ATOM     24  C   LIG    1       -2.886   1.536   2.101  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1       -3.320   2.828   1.721  0.00  0.00    +0.160 A 
ATOM     26  N   LIG    1       -4.206   3.512   2.447  0.00  0.00    -0.236 NA
ATOM     27  C   LIG    1       -4.695   2.968   3.579  0.00  0.00    +0.113 A 
ATOM     28  C   LIG    1       -4.336   1.724   4.044  0.00  0.00    +0.020 A 
ATOM     29  N   LIG    1       -2.865   3.421   0.621  0.00  0.00    -0.236 NA
ATOM     30  C   LIG    1       -1.960   2.779  -0.141  0.00  0.00    +0.113 A 
ATOM     31  C   LIG    1       -3.420   1.000   3.295  0.00  0.00    +0.013 A 
ATOM     32  C   LIG    1       -1.479   1.518   0.135  0.00  0.00    +0.025 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5