REMARK  Name = BDB022890
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.468  -2.916   1.872  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -0.772  -2.014   0.667  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -0.856  -0.596   1.062  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -2.021   0.138   1.254  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -1.997   1.214   1.858  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        0.400   0.029   1.502  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        1.632  -0.448   0.763  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        1.560  -1.497  -0.136  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        2.744  -1.831  -0.751  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        3.915  -1.221  -0.494  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        3.899  -0.237   0.412  0.00  0.00    +0.215 A 
ATOM     12  N   LIG    1        2.797   0.178   1.047  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1        0.267  -2.181  -0.456  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -3.343  -0.419   0.724  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -4.300   0.728   0.293  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -5.791   0.331   0.461  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -5.992  -1.112   0.273  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -7.411  -1.450   0.197  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -5.317  -1.898   1.312  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -4.010  -1.269   1.807  0.00  0.00    +0.029 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -3.943   1.197  -1.117  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -4.373   0.510  -2.261  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -4.007   0.949  -3.535  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.198   2.074  -3.682  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -2.753   2.759  -2.554  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.120   2.323  -1.280  0.00  0.00    +0.004 A 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  27
ATOM     27  N   LIG    1        5.066   0.438   0.750  0.00  0.00    -0.313 N 
ATOM     28  H   LIG    1        4.750   1.290   1.203  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1        6.002   0.601  -0.349  0.00  0.00    +0.110 C 
BRANCH  29  30
ATOM     30  C   LIG    1        7.227   1.379   0.120  0.00  0.00    +0.034 C 
ATOM     31  C   LIG    1        6.964   2.852   0.385  0.00  0.00    +0.165 C 
ATOM     32  O   LIG    1        8.215   3.535   0.206  0.00  0.00    -0.379 OA
ATOM     33  C   LIG    1        9.140   2.633  -0.416  0.00  0.00    +0.160 C 
ATOM     34  C   LIG    1        8.328   1.459  -0.919  0.00  0.00    +0.035 C 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  11  27
TORSDOF 5