REMARK  Name = BDB046854
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.830  -0.525   0.880  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1       -0.429  -0.200   0.354  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1       -1.614  -0.288   1.117  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -1.486  -0.740   2.441  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1       -0.238  -1.064   2.981  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        0.915  -0.954   2.201  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.904   0.078   0.494  0.00  0.00    +0.075 A 
ATOM      8  N   LIG    1       -3.042  -0.280  -0.812  0.00  0.00    -0.255 NA
ATOM      9  C   LIG    1       -4.193   0.029  -1.446  0.00  0.00    +0.112 A 
ATOM     10  C   LIG    1       -5.236   0.704  -0.849  0.00  0.00    +0.034 A 
ATOM     11  C   LIG    1       -5.083   1.088   0.480  0.00  0.00    +0.062 A 
ATOM     12  C   LIG    1       -3.905   0.776   1.162  0.00  0.00    +0.043 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -6.192   1.825   1.125  0.00  0.00    +0.337 C 
ATOM     14  O   LIG    1       -7.252   2.111   0.599  0.00  0.00    -0.245 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -5.923   2.175   2.394  0.00  0.00    -0.477 OA
ATOM     16  H   LIG    1       -6.731   2.646   2.687  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   3   7
BRANCH   1  18
ATOM     17  C   LIG    1        3.269  -0.645   0.293  0.00  0.00    +0.270 C 
ATOM     18  N   LIG    1        1.936  -0.394   0.022  0.00  0.00    -0.280 N 
ATOM     19  H   LIG    1        1.753  -0.079  -0.927  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1        3.734  -1.033   1.360  0.00  0.00    -0.268 OA
BRANCH  17  25
ATOM     21  C   LIG    1        7.131  -0.120  -2.977  0.00  0.00    +0.089 C 
ATOM     22  C   LIG    1        5.872  -0.195  -2.217  0.00  0.00    +0.135 A 
ATOM     23  O   LIG    1        4.741   0.161  -2.882  0.00  0.00    -0.359 OA
ATOM     24  N   LIG    1        3.650   0.038  -2.040  0.00  0.00    -0.073 NA
ATOM     25  C   LIG    1        4.139  -0.395  -0.863  0.00  0.00    +0.168 A 
ATOM     26  C   LIG    1        5.546  -0.555  -0.934  0.00  0.00    +0.080 A 
ENDBRANCH  17  25
ENDBRANCH   1  18
BRANCH   4  27
ATOM     27  O   LIG    1       -2.598  -0.891   3.227  0.00  0.00    -0.506 OA
ATOM     28  H   LIG    1       -2.341  -1.311   4.064  0.00  0.00    +0.292 HD
ENDBRANCH   4  27
TORSDOF 6