REMARK  Name = BDB004669
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.695   0.679  -0.366  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1       -1.979   0.315  -0.825  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -2.942   0.018   0.160  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1       -4.235  -0.337  -0.280  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -4.551  -0.404  -1.652  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -3.591  -0.126  -2.611  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1       -2.616   0.072   1.471  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1       -1.361   0.406   1.791  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1       -2.314   0.228  -2.200  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1       -0.390   0.718   0.938  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -5.357  -0.669   0.654  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -6.470  -0.976   0.238  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -5.122  -0.624   1.996  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -5.867  -0.863   2.634  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -4.201  -0.392   2.356  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1        0.306   1.004  -1.311  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -0.037   1.778  -1.872  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.634   1.323  -0.769  0.00  0.00    +0.142 C 
BRANCH  18  20
ATOM     19  C   LIG    1        3.602   0.241   0.403  0.00  0.00    +0.125 A 
ATOM     20  C   LIG    1        2.474   0.104  -0.433  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1        2.197  -1.157  -0.992  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        2.992  -2.264  -0.700  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        4.089  -2.124   0.143  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        4.396  -0.876   0.690  0.00  0.00    +0.046 A 
BRANCH  19  26
ATOM     25  C   LIG    1        4.907   1.663   1.808  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        3.849   1.508   0.870  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 5