REMARK  Name = BDB021014
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.092  -0.027  -0.512  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1        0.812  -0.846  -1.396  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        2.200  -0.965  -1.218  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        2.890  -0.305  -0.203  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        4.245  -0.705  -0.377  0.00  0.00    +0.103 A 
ATOM      6  N   LIG    1        4.402  -1.512  -1.435  0.00  0.00    -0.170 NA
ATOM      7  C   LIG    1        2.161   0.539   0.659  0.00  0.00    +0.013 A 
ATOM      8  N   LIG    1        3.155  -1.664  -1.912  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1        2.932  -2.496  -3.070  0.00  0.00    +0.173 C 
ATOM     10  C   LIG    1        0.772   0.669   0.492  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  20
ATOM     11  C   LIG    1       -5.036  -0.279   4.349  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -3.677  -0.262   3.698  0.00  0.00    +0.213 C 
ATOM     13  N   LIG    1       -3.620   0.060   2.346  0.00  0.00    -0.294 N 
ATOM     14  C   LIG    1       -2.279   0.161   1.766  0.00  0.00    +0.163 C 
ATOM     15  C   LIG    1       -2.321   0.172   0.280  0.00  0.00    +0.064 A 
ATOM     16  N   LIG    1       -3.498   0.243  -0.426  0.00  0.00    -0.328 N 
ATOM     17  C   LIG    1       -3.213   0.189  -1.759  0.00  0.00    +0.114 A 
ATOM     18  N   LIG    1       -1.918   0.089  -1.954  0.00  0.00    -0.232 NA
ATOM     19  C   LIG    1       -4.804   0.288   0.189  0.00  0.00    +0.142 C 
ATOM     20  C   LIG    1       -1.345   0.096  -0.699  0.00  0.00    +0.094 A 
ATOM     21  C   LIG    1       -4.697   0.757   1.635  0.00  0.00    +0.129 C 
ATOM     22  O   LIG    1       -2.673  -0.536   4.356  0.00  0.00    -0.276 OA
BRANCH  17  23
ATOM     23  C   LIG    1       -4.251   0.205  -2.916  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -4.903   1.510  -3.294  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -3.886   0.891  -4.207  0.00  0.00    +0.012 C 
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   5  26
ATOM     26  C   LIG    1        5.385  -0.305   0.443  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        6.714  -0.280   0.082  0.00  0.00    +0.118 A 
ATOM     28  N   LIG    1        7.395   0.144   1.183  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        8.820   0.334   1.301  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        6.602   0.390   2.244  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        5.378   0.096   1.792  0.00  0.00    +0.144 A 
ENDBRANCH   5  26
TORSDOF 3