REMARK  Name = BDB022990
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.502   1.308   2.694  0.00  0.00    +0.014 C 
ATOM      2  C   LIG    1       -0.336   2.414   1.646  0.00  0.00    +0.037 C 
ATOM      3  C   LIG    1        1.094   2.503   1.186  0.00  0.00    -0.002 A 
ATOM      4  C   LIG    1        1.521   1.953  -0.012  0.00  0.00    +0.067 A 
ATOM      5  N   LIG    1        2.805   2.039  -0.427  0.00  0.00    -0.218 NA
ATOM      6  C   LIG    1        3.681   2.669   0.363  0.00  0.00    +0.216 A 
ATOM      7  N   LIG    1        3.360   3.213   1.542  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        0.553   1.247  -0.939  0.00  0.00    +0.163 C 
ATOM      9  N   LIG    1       -0.788   1.069  -0.376  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1       -1.510  -0.054  -0.752  0.00  0.00    +0.220 C 
ATOM     11  O   LIG    1       -1.064  -0.843  -1.588  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        2.075   3.120   1.929  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1       -1.267   2.183   0.444  0.00  0.00    +0.116 C 
ENDROOT
BRANCH  10  14
ATOM     14  C   LIG    1       -2.898  -0.263  -0.140  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -3.259  -1.771  -0.088  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -4.789  -1.958  -0.169  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -5.399  -1.401  -1.389  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -5.687  -2.442  -2.374  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -4.614  -0.320  -2.000  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -3.929   0.548  -0.947  0.00  0.00    +0.029 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -2.632  -2.420   1.142  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -1.429  -3.131   1.001  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -0.806  -3.710   2.108  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -1.373  -3.582   3.373  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -2.561  -2.872   3.532  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.185  -2.290   2.425  0.00  0.00    +0.004 A 
ENDBRANCH  15  21
ENDBRANCH  10  14
BRANCH   6  27
ATOM     27  N   LIG    1        5.008   2.792   0.002  0.00  0.00    -0.310 N 
ATOM     28  H   LIG    1        5.503   3.059   0.846  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1        5.660   1.759  -0.800  0.00  0.00    +0.077 C 
ATOM     30  C   LIG    1        5.518   0.355  -0.212  0.00  0.00    +0.050 C 
ATOM     31  C   LIG    1        6.277  -0.662  -1.062  0.00  0.00    +0.161 C 
ATOM     32  O   LIG    1        6.383  -0.300  -2.439  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1        5.258   0.438  -2.908  0.00  0.00    +0.161 C 
ATOM     34  C   LIG    1        5.262   1.824  -2.279  0.00  0.00    +0.050 C 
ENDBRANCH  27  29
ENDBRANCH   6  27
TORSDOF 4