REMARK  Name = BDB013751
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.342   1.202   1.761  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.803   0.422   1.100  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -2.129   0.658   1.510  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1       -3.197  -0.028   0.926  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -2.952  -0.953  -0.091  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -1.643  -1.220  -0.496  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -0.579  -0.529   0.089  0.00  0.00    +0.006 A 
BRANCH   5   8
ATOM      8  C   LIG    1       -4.062  -1.705  -0.718  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1       -5.125  -0.997  -1.266  0.00  0.00    -0.293 N 
ATOM     10  C   LIG    1       -6.256  -1.747  -1.810  0.00  0.00    +0.136 C 
ATOM     11  C   LIG    1       -7.500  -0.861  -1.913  0.00  0.00    +0.179 C 
ATOM     12  O   LIG    1       -7.315   0.316  -2.713  0.00  0.00    -0.377 OA
ATOM     13  C   LIG    1       -5.948   0.735  -2.828  0.00  0.00    +0.179 C 
ATOM     14  C   LIG    1       -5.114   0.438  -1.577  0.00  0.00    +0.136 C 
ATOM     15  O   LIG    1       -3.997  -2.932  -0.727  0.00  0.00    -0.270 OA
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  N   LIG    1        0.618   2.550   1.173  0.00  0.00    -0.300 NA
ATOM     17  C   LIG    1       -0.158   3.606   1.820  0.00  0.00    +0.105 C 
ATOM     18  C   LIG    1        0.457   2.632  -0.280  0.00  0.00    +0.105 C 
ENDBRANCH   1  16
BRANCH   1  20
ATOM     19  C   LIG    1        2.477   0.930   3.153  0.00  0.00    +0.030 C 
ATOM     20  C   LIG    1        1.666   0.364   1.979  0.00  0.00    +0.090 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.518   0.386   0.791  0.00  0.00    -0.322 N 
ATOM     22  H   LIG    1        2.734   1.329   0.465  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.487  -0.557   0.517  0.00  0.00    +0.166 A 
ATOM     24  C   LIG    1        4.562  -0.162  -0.429  0.00  0.00    +0.117 A 
ATOM     25  C   LIG    1        5.535  -1.081  -0.741  0.00  0.00    +0.070 A 
ATOM     26  C   LIG    1        6.540  -0.696  -1.628  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1        6.522   0.595  -2.157  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        5.498   1.453  -1.777  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1        5.486  -2.412  -0.133  0.00  0.00    +0.276 A 
ATOM     30  O   LIG    1        6.358  -3.227  -0.426  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1        4.436  -2.654   0.748  0.00  0.00    -0.230 N 
ATOM     32  C   LIG    1        4.304  -3.948   1.394  0.00  0.00    +0.176 C 
ATOM     33  N   LIG    1        4.511   1.111  -0.921  0.00  0.00    -0.251 NA
ATOM     34  N   LIG    1        3.456  -1.741   1.060  0.00  0.00    -0.151 NA
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6