REMARK  Name = BDB058554
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.852  -1.246  -0.408  0.00  0.00    +0.076 C 
ATOM      2  C   LIG    1       -0.427  -0.955   1.040  0.00  0.00    +0.041 C 
ATOM      3  C   LIG    1        0.724   0.067   1.117  0.00  0.00    +0.059 C 
ATOM      4  N   LIG    1        1.677  -0.102   0.011  0.00  0.00    -0.294 NA
ATOM      5  C   LIG    1        1.033   0.306  -1.243  0.00  0.00    +0.059 C 
ATOM      6  C   LIG    1        1.108   1.850  -1.240  0.00  0.00    +0.019 C 
ATOM      7  C   LIG    1        0.936   2.455   0.165  0.00  0.00    +0.003 C 
ATOM      8  C   LIG    1        0.186   1.526   1.125  0.00  0.00    +0.019 C 
ATOM      9  C   LIG    1       -0.438  -0.165  -1.411  0.00  0.00    +0.041 C 
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -2.265  -1.614  -0.525  0.00  0.00    -0.312 N 
ATOM     11  H   LIG    1       -2.414  -2.366  -1.183  0.00  0.00    +0.149 HD
BRANCH  10  23
ATOM     12  C   LIG    1       -4.815  -2.667  -1.028  0.00  0.00    +0.155 C 
ATOM     13  N   LIG    1       -4.631  -1.303  -0.564  0.00  0.00    -0.282 N 
ATOM     14  C   LIG    1       -5.793  -0.540  -0.393  0.00  0.00    +0.279 A 
ATOM     15  O   LIG    1       -6.931  -0.921  -0.654  0.00  0.00    -0.265 OA
ATOM     16  C   LIG    1       -5.518   0.752   0.125  0.00  0.00    +0.130 A 
ATOM     17  C   LIG    1       -4.261   1.183   0.408  0.00  0.00    +0.097 A 
ATOM     18  C   LIG    1       -4.323   2.493   0.904  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1       -5.663   2.836   0.912  0.00  0.00    +0.085 A 
ATOM     20  N   LIG    1       -3.133   0.406   0.205  0.00  0.00    -0.214 NA
ATOM     21  N   LIG    1       -6.384   1.764   0.433  0.00  0.00    -0.355 N 
ATOM     22  H   LIG    1       -7.390   1.718   0.323  0.00  0.00    +0.166 HD
ATOM     23  C   LIG    1       -3.346  -0.792  -0.276  0.00  0.00    +0.199 A 
ENDBRANCH  10  23
ENDBRANCH   1  10
BRANCH   4  24
ATOM     24  C   LIG    1        2.385  -1.390  -0.022  0.00  0.00    +0.122 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.769  -1.337  -0.717  0.00  0.00    +0.177 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.847  -0.724   0.162  0.00  0.00    +0.071 A 
ATOM     27  N   LIG    1        5.778  -1.584   0.669  0.00  0.00    -0.257 NA
ATOM     28  C   LIG    1        6.746  -1.054   1.450  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1        6.842   0.293   1.753  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        5.890   1.155   1.224  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1        4.878   0.644   0.416  0.00  0.00    +0.026 A 
ENDBRANCH  25  26
BRANCH  25  32
ATOM     32  O   LIG    1        4.143  -2.688  -1.057  0.00  0.00    -0.384 OA
ATOM     33  H   LIG    1        4.962  -2.849  -0.540  0.00  0.00    +0.210 HD
ENDBRANCH  25  32
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 6