REMARK  Name = BDB047332
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        4.837  -2.993  -1.351  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        4.526  -1.906  -0.874  0.00  0.00    +0.257 A 
ATOM      3  C   LIG    1        5.425  -0.728  -0.972  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        5.034   0.505  -0.412  0.00  0.00    -0.004 A 
ATOM      5  C   LIG    1        5.935   1.579  -0.542  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        7.164   1.429  -1.197  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        7.525   0.201  -1.740  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        3.725   0.610   0.269  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        2.903  -0.529   0.341  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1        1.655  -0.499   0.972  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1        1.180   0.685   1.548  0.00  0.00    -0.031 A 
ATOM     12  C   LIG    1        1.986   1.826   1.492  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        3.237   1.788   0.860  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        6.656  -0.880  -1.629  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1        3.328  -1.735  -0.227  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1        2.736  -2.553  -0.181  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -0.163   0.720   2.248  0.00  0.00    +0.120 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -1.261   0.187   1.427  0.00  0.00    -0.294 NA
ATOM     19  C   LIG    1       -1.594   1.078   0.303  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1       -2.644   0.433  -0.621  0.00  0.00    +0.051 C 
ATOM     21  C   LIG    1       -3.782  -0.196   0.145  0.00  0.00    -0.042 C 
ATOM     22  C   LIG    1       -3.681  -0.386   1.473  0.00  0.00    -0.008 C 
ATOM     23  C   LIG    1       -2.451  -0.040   2.262  0.00  0.00    +0.112 C 
BRANCH  21  24
ATOM     24  C   LIG    1       -5.007  -0.569  -0.584  0.00  0.00    -0.022 A 
ATOM     25  C   LIG    1       -5.685   0.363  -1.381  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -6.842  -0.001  -2.074  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -7.333  -1.302  -1.981  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.668  -2.239  -1.194  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -5.512  -1.875  -0.499  0.00  0.00    +0.008 A 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH  11  17
TORSDOF 3