REMARK  Name = BDB018997
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.538  -1.570   4.474  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -0.296  -1.655   3.737  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1        0.202  -2.527   3.857  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1        0.597  -0.630   3.638  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1        0.113   0.640   3.401  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1       -0.986   0.870   2.463  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -0.560   0.763   1.016  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -1.143  -0.215   0.194  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1       -0.804  -0.322  -1.160  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1        0.125   0.583  -1.695  0.00  0.00    +0.016 A 
ATOM     11  C   LIG    1        0.733   1.574  -0.903  0.00  0.00    -0.002 A 
ATOM     12  C   LIG    1        0.393   1.633   0.459  0.00  0.00    +0.129 A 
ATOM     13  O   LIG    1        0.989   2.594   1.238  0.00  0.00    -0.490 OA
ATOM     14  C   LIG    1        1.845   1.995   2.226  0.00  0.00    +0.248 C 
ATOM     15  C   LIG    1        1.067   1.743   3.517  0.00  0.00    +0.150 C 
ATOM     16  O   LIG    1        1.792  -0.881   3.786  0.00  0.00    -0.253 OA
ENDROOT
BRANCH   9  17
ATOM     17  C   LIG    1       -1.420  -1.352  -2.009  0.00  0.00    -0.015 A 
ATOM     18  C   LIG    1       -0.754  -2.554  -2.341  0.00  0.00    -0.043 A 
ATOM     19  C   LIG    1        0.635  -2.852  -1.836  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -1.388  -3.487  -3.179  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -2.672  -3.250  -3.669  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.338  -2.075  -3.332  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -2.716  -1.135  -2.510  0.00  0.00    +0.009 A 
ENDBRANCH   9  17
BRANCH  11  24
ATOM     24  C   LIG    1        1.741   2.536  -1.514  0.00  0.00    +0.016 C 
ATOM     25  C   LIG    1        2.992   1.796  -1.996  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1        1.121   3.361  -2.648  0.00  0.00    +0.012 C 
ENDBRANCH  11  24
TORSDOF 2