REMARK  Name = BDB022387
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.767   2.487  -0.911  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -4.500   1.825  -0.718  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -3.717   2.238  -1.200  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -4.460   0.454  -0.646  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -3.189  -0.082  -0.486  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1       -2.081   0.716   0.053  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -0.854  -0.069   0.446  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -0.944  -1.099   1.390  0.00  0.00    +0.125 A 
ATOM      9  C   LIG    1        0.190  -1.786   1.815  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        1.433  -1.476   1.262  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        1.554  -0.468   0.294  0.00  0.00    -0.016 A 
ATOM     12  O   LIG    1       -2.137  -1.415   1.974  0.00  0.00    -0.490 OA
ATOM     13  C   LIG    1       -3.089  -2.022   1.080  0.00  0.00    +0.248 C 
ATOM     14  C   LIG    1        0.402   0.234  -0.101  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -3.088  -1.538  -0.377  0.00  0.00    +0.150 C 
ATOM     16  O   LIG    1       -5.474  -0.235  -0.713  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        2.859  -0.140  -0.283  0.00  0.00    -0.004 A 
ATOM     18  C   LIG    1        3.635   0.867   0.339  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        4.877   1.202  -0.188  0.00  0.00    +0.066 A 
ATOM     20  N   LIG    1        5.365   2.190   0.626  0.00  0.00    -0.277 N 
ATOM     21  H   LIG    1        6.251   2.675   0.546  0.00  0.00    +0.189 HD
ATOM     22  N   LIG    1        4.544   2.528   1.636  0.00  0.00    -0.181 NA
ATOM     23  C   LIG    1        5.415   0.588  -1.320  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        4.645  -0.407  -1.931  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        3.496   1.719   1.462  0.00  0.00    +0.143 A 
ATOM     26  C   LIG    1        3.384  -0.778  -1.435  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        2.608  -1.858  -2.143  0.00  0.00    +0.044 C 
ENDBRANCH  11  17
TORSDOF 1