REMARK  Name = BDB018321
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.640   4.229  -1.214  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -2.071   2.892  -0.835  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -3.428   2.620  -0.731  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -4.330   3.428  -0.929  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -3.776   1.231  -0.344  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -2.827   0.302  -0.125  0.00  0.00    -0.002 A 
ATOM      7  C   LIG    1       -1.404   0.658  -0.258  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.106   1.928  -0.602  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -3.322  -1.027   0.284  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.971  -1.872  -0.615  0.00  0.00    +0.119 A 
ATOM     11  N   LIG    1       -4.437  -3.104  -0.302  0.00  0.00    -0.263 NA
ATOM     12  C   LIG    1       -4.245  -3.518   0.969  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1       -3.614  -2.757   1.940  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -3.148  -1.492   1.591  0.00  0.00    +0.011 A 
ENDBRANCH   6   9
BRANCH   7  15
ATOM     15  C   LIG    1       -0.354  -0.294  -0.036  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        0.771  -0.096   0.735  0.00  0.00    +0.117 A 
ATOM     17  N   LIG    1        1.506  -1.246   0.641  0.00  0.00    -0.267 N 
ATOM     18  N   LIG    1        0.919  -2.191  -0.122  0.00  0.00    -0.179 NA
ATOM     19  C   LIG    1       -0.208  -1.605  -0.540  0.00  0.00    +0.143 A 
BRANCH  17  20
ATOM     20  C   LIG    1        2.777  -1.526   1.299  0.00  0.00    +0.178 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.903  -0.710   0.713  0.00  0.00    -0.026 A 
ATOM     22  C   LIG    1        4.330  -0.932  -0.605  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        5.371  -0.180  -1.149  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.999   0.799  -0.382  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.586   1.028   0.929  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.544   0.277   1.476  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   7  15
TORSDOF 4