REMARK  Name = BDB022926
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.373  -0.591   3.602  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -0.974  -0.530   2.998  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -0.538  -1.662   2.153  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -1.170  -2.218   1.044  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -0.629  -3.119   0.393  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        0.931  -1.727   2.096  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        1.499  -0.400   1.607  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        0.756   0.770   1.733  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        1.366   1.906   1.254  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        2.599   1.920   0.719  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        3.243   0.747   0.644  0.00  0.00    +0.216 A 
ATOM     12  N   LIG    1        2.744  -0.415   1.085  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1       -0.643   0.797   2.295  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -2.554  -1.745   0.625  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -2.660  -1.671  -0.926  0.00  0.00    +0.046 C 
ATOM     16  C   LIG    1       -4.120  -1.886  -1.409  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -5.090  -1.424  -0.407  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -6.448  -1.405  -0.946  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -5.026  -2.228   0.823  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -3.611  -2.710   1.163  0.00  0.00    +0.029 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -2.029  -0.378  -1.422  0.00  0.00    -0.024 A 
ATOM     22  C   LIG    1       -0.704  -0.368  -1.859  0.00  0.00    +0.114 A 
ATOM     23  N   LIG    1       -0.050   0.737  -2.283  0.00  0.00    -0.263 NA
ATOM     24  C   LIG    1       -0.740   1.895  -2.269  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1       -2.054   2.000  -1.848  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -2.703   0.848  -1.416  0.00  0.00    +0.007 A 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  27
ATOM     27  N   LIG    1        4.508   0.665   0.068  0.00  0.00    -0.310 N 
ATOM     28  H   LIG    1        4.619  -0.332  -0.101  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1        4.687   1.509  -1.115  0.00  0.00    +0.077 C 
ATOM     30  C   LIG    1        5.216   2.897  -0.719  0.00  0.00    +0.050 C 
ATOM     31  C   LIG    1        6.716   2.994  -0.941  0.00  0.00    +0.161 C 
ATOM     32  O   LIG    1        7.078   2.794  -2.308  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1        6.297   1.823  -3.005  0.00  0.00    +0.161 C 
ATOM     34  C   LIG    1        5.652   0.805  -2.081  0.00  0.00    +0.050 C 
ENDBRANCH  27  29
ENDBRANCH  11  27
TORSDOF 4