REMARK  Name = BDB062381
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.183  -0.582   0.940  0.00  0.00    -0.346 N 
ATOM      2  C   LIG    1       -2.408  -1.922   0.709  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1       -1.409  -2.367  -0.172  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -1.444  -3.724  -0.607  0.00  0.00    -0.041 A 
ATOM      5  C   LIG    1       -2.457  -4.565  -0.095  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -3.420  -4.096   0.788  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -0.456  -4.325  -1.571  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -0.542  -1.241  -0.430  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1       -3.416  -2.767   1.199  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -1.072  -0.168   0.264  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -2.995   0.291   1.773  0.00  0.00    +0.124 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -4.237   0.829   1.060  0.00  0.00    +0.049 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -3.913   1.724  -0.131  0.00  0.00    +0.161 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -2.667   3.613  -0.783  0.00  0.00    +0.193 C 
ATOM     15  O   LIG    1       -3.102   2.812   0.309  0.00  0.00    -0.383 OA
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   8  16
ATOM     16  C   LIG    1        0.680  -1.200  -1.304  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  N   LIG    1        1.717  -0.340  -0.721  0.00  0.00    -0.292 N 
ATOM     18  C   LIG    1        1.922   0.911  -1.303  0.00  0.00    +0.246 C 
ATOM     19  O   LIG    1        1.355   1.246  -2.353  0.00  0.00    -0.273 OA
BRANCH  18  20
ATOM     20  C   LIG    1        2.806   1.960  -0.587  0.00  0.00    +0.217 C 
ATOM     21  O   LIG    1        4.029   1.484  -0.029  0.00  0.00    -0.365 OA
ATOM     22  C   LIG    1        4.764   2.541   0.597  0.00  0.00    +0.176 C 
ATOM     23  C   LIG    1        3.933   3.229   1.689  0.00  0.00    +0.109 C 
ATOM     24  N   LIG    1        2.671   3.777   1.161  0.00  0.00    -0.311 NA
ATOM     25  H   LIG    1        2.891   4.503   0.478  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1        1.943   2.690   0.468  0.00  0.00    +0.122 C 
ENDBRANCH  18  20
BRANCH  17  27
ATOM     27  C   LIG    1        2.350  -0.783   0.504  0.00  0.00    +0.077 C 
ATOM     28  C   LIG    1        3.749  -1.347   0.491  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1        2.601  -2.235   0.843  0.00  0.00    +0.024 C 
ENDBRANCH  17  27
ENDBRANCH  16  17
ENDBRANCH   8  16
TORSDOF 8