REMARK  Name = BDB050181
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.607   0.253  -0.049  0.00  0.00    +0.067 A 
ATOM      2  C   LIG    1       -1.513  -0.514  -0.419  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1       -0.031  -0.264  -0.473  0.00  0.00    +0.042 C 
ATOM      4  C   LIG    1        0.583  -1.123  -1.602  0.00  0.00    +0.012 C 
ATOM      5  C   LIG    1        0.196  -2.596  -1.462  0.00  0.00    +0.022 C 
ATOM      6  C   LIG    1       -1.321  -2.783  -1.474  0.00  0.00    +0.125 C 
ATOM      7  N   LIG    1       -2.054  -1.717  -0.823  0.00  0.00    -0.316 N 
ATOM      8  C   LIG    1       -3.405  -1.666  -0.616  0.00  0.00    +0.193 A 
ATOM      9  N   LIG    1       -3.761  -0.499  -0.149  0.00  0.00    -0.219 NA
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -2.404   2.650  -0.767  0.00  0.00    +0.014 C 
ATOM     11  C   LIG    1       -2.730   1.688   0.377  0.00  0.00    +0.033 C 
ATOM     12  C   LIG    1       -1.915   2.029   1.620  0.00  0.00    +0.014 C 
ENDBRANCH   1  11
BRANCH   8  13
ATOM     13  N   LIG    1       -4.231  -2.688  -0.896  0.00  0.00    -0.329 N 
ATOM     14  H   LIG    1       -4.031  -3.274  -1.697  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -5.212  -2.422  -0.865  0.00  0.00    +0.145 HD
ENDBRANCH   8  13
BRANCH   3  16
ATOM     16  C   LIG    1        0.607  -0.551   0.911  0.00  0.00    +0.048 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.083  -0.263   0.989  0.00  0.00    -0.001 A 
ATOM     18  C   LIG    1        2.591   1.023   0.899  0.00  0.00    +0.169 A 
ATOM     19  O   LIG    1        1.862   2.162   0.735  0.00  0.00    -0.452 OA
ATOM     20  C   LIG    1        2.903   3.159   0.722  0.00  0.00    +0.466 C 
ATOM     21  O   LIG    1        4.227   2.608   0.859  0.00  0.00    -0.453 OA
ATOM     22  C   LIG    1        3.941   1.282   0.970  0.00  0.00    +0.167 A 
ATOM     23  C   LIG    1        4.869   0.278   1.139  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        4.395  -1.031   1.240  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        3.016  -1.300   1.168  0.00  0.00    +0.007 A 
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 4