REMARK  Name = BDB059686
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.233  -0.234  -0.275  0.00  0.00    +0.112 A 
ATOM      2  C   LIG    1       -1.195  -1.145  -0.001  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1       -2.572  -0.631   0.336  0.00  0.00    +0.278 A 
ATOM      4  O   LIG    1       -3.520  -1.348   0.626  0.00  0.00    -0.265 OA
ATOM      5  N   LIG    1       -2.705   0.769   0.303  0.00  0.00    -0.179 N 
ATOM      6  C   LIG    1       -1.680   1.651   0.012  0.00  0.00    +0.156 A 
ATOM      7  C   LIG    1       -2.223   2.912   0.058  0.00  0.00    +0.114 A 
ATOM      8  C   LIG    1       -3.572   2.709   0.398  0.00  0.00    +0.156 A 
ATOM      9  N   LIG    1       -3.876   1.417   0.557  0.00  0.00    -0.169 NA
ATOM     10  N   LIG    1       -0.454   1.142  -0.244  0.00  0.00    -0.334 N 
ATOM     11  H   LIG    1        0.314   1.709  -0.612  0.00  0.00    +0.168 HD
ENDROOT
BRANCH   1  14
ATOM     12  N   LIG    1        2.119   0.078   0.064  0.00  0.00    -0.310 N 
ATOM     13  H   LIG    1        1.819   0.745   0.765  0.00  0.00    +0.149 HD
ATOM     14  C   LIG    1        1.173  -0.674  -0.598  0.00  0.00    +0.261 C 
ATOM     15  O   LIG    1        1.429  -1.573  -1.385  0.00  0.00    -0.269 OA
BRANCH  12  17
ATOM     16  C   LIG    1        4.085   0.556  -1.322  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1        3.537  -0.163  -0.102  0.00  0.00    +0.101 C 
ENDBRANCH  12  17
ENDBRANCH   1  14
BRANCH   2  18
ATOM     18  C   LIG    1       -1.058  -2.647   0.018  0.00  0.00    +0.039 C 
ATOM     19  C   LIG    1       -0.723  -3.164   1.410  0.00  0.00    +0.009 C 
ENDBRANCH   2  18
BRANCH   7  20
ATOM     20  C   LIG    1       -1.556   4.144  -0.176  0.00  0.00    +0.104 C 
ATOM     21  N   LIG    1       -0.989   5.138  -0.367  0.00  0.00    -0.191 NA
ENDBRANCH   7  20
TORSDOF 4