REMARK  Name = BDB065226
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.709  -3.357  -0.666  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1       -3.567  -4.004  -1.161  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -2.360  -3.305  -1.205  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -2.274  -1.960  -0.758  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1       -3.408  -1.335  -0.245  0.00  0.00    +0.082 A 
ATOM      6  N   LIG    1       -3.393  -0.086   0.223  0.00  0.00    -0.214 NA
ATOM      7  C   LIG    1       -2.239   0.592   0.210  0.00  0.00    +0.220 A 
ATOM      8  N   LIG    1       -1.105   0.078  -0.281  0.00  0.00    -0.199 NA
ATOM      9  C   LIG    1       -1.112  -1.172  -0.773  0.00  0.00    +0.132 A 
ATOM     10  C   LIG    1       -4.607  -2.037  -0.213  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   7  11
ATOM     11  N   LIG    1       -2.222   1.859   0.745  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1       -3.482   2.464   1.172  0.00  0.00    +0.136 C 
ATOM     13  C   LIG    1       -3.189   3.774   1.920  0.00  0.00    +0.179 C 
ATOM     14  O   LIG    1       -2.471   4.745   1.142  0.00  0.00    -0.377 OA
ATOM     15  C   LIG    1       -1.655   4.164   0.114  0.00  0.00    +0.179 C 
ATOM     16  C   LIG    1       -1.114   2.766   0.455  0.00  0.00    +0.136 C 
ENDBRANCH   7  11
BRANCH   1  18
ATOM     17  C   LIG    1       -7.040  -3.477  -0.149  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -5.867  -4.095  -0.659  0.00  0.00    -0.491 OA
ENDBRANCH   1  18
BRANCH   2  19
ATOM     19  O   LIG    1       -3.733  -5.299  -1.579  0.00  0.00    -0.491 OA
ATOM     20  C   LIG    1       -2.570  -6.033  -1.935  0.00  0.00    +0.277 C 
ENDBRANCH   2  19
BRANCH   9  21
ATOM     21  N   LIG    1        0.078  -1.724  -1.286  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1       -0.111  -2.092  -2.215  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.339  -0.964  -1.273  0.00  0.00    +0.074 C 
ATOM     24  C   LIG    1        1.837  -0.632   0.139  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1        2.555   0.718   0.192  0.00  0.00    +0.086 C 
ATOM     26  N   LIG    1        3.437   0.852  -0.971  0.00  0.00    -0.298 NA
ATOM     27  C   LIG    1        2.678   0.953  -2.226  0.00  0.00    +0.086 C 
ATOM     28  C   LIG    1        1.319   0.245  -2.207  0.00  0.00    +0.037 C 
BRANCH  26  29
ATOM     29  C   LIG    1        4.378   1.977  -0.842  0.00  0.00    +0.119 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.439   1.760   0.217  0.00  0.00    -0.033 A 
ATOM     31  C   LIG    1        5.640   2.709   1.230  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        6.630   2.516   2.195  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        7.433   1.377   2.155  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        7.248   0.430   1.150  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1        6.258   0.622   0.185  0.00  0.00    +0.005 A 
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH  21  23
ENDBRANCH   9  21
TORSDOF 7