REMARK  Name = BDB001606
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.502   0.215   0.265  0.00  0.00    +0.324 A 
ATOM      2  C   LIG    1       -0.226   0.749   0.277  0.00  0.00    +0.166 A 
ATOM      3  N   LIG    1       -0.312   2.103   0.561  0.00  0.00    -0.201 NA
ATOM      4  C   LIG    1       -1.600   2.335   0.733  0.00  0.00    +0.267 A 
ATOM      5  O   LIG    1       -2.376   1.213   0.585  0.00  0.00    -0.401 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -2.140   3.624   1.051  0.00  0.00    +0.189 A 
ATOM      7  O   LIG    1       -3.481   3.851   1.242  0.00  0.00    -0.458 OA
ATOM      8  C   LIG    1       -3.642   5.168   1.525  0.00  0.00    +0.196 A 
ATOM      9  C   LIG    1       -2.430   5.812   1.523  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1       -1.464   4.823   1.220  0.00  0.00    +0.055 A 
ENDBRANCH   4   6
BRANCH   2  11
ATOM     11  C   LIG    1        1.026   0.052   0.088  0.00  0.00    +0.146 C 
ATOM     12  N   LIG    1        2.138   0.715   0.092  0.00  0.00    -0.253 NA
BRANCH  12  13
ATOM     13  C   LIG    1        3.300  -0.046  -0.094  0.00  0.00    +0.064 A 
ATOM     14  C   LIG    1        3.672  -0.490  -1.366  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        4.835  -1.244  -1.540  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        5.638  -1.547  -0.441  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.283  -1.092   0.829  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        4.119  -0.339   0.999  0.00  0.00    +0.028 A 
ENDBRANCH  12  13
ENDBRANCH   2  11
BRANCH   1  19
ATOM     19  O   LIG    1       -2.097  -0.950   0.089  0.00  0.00    -0.387 OA
BRANCH  19  21
ATOM     20  O   LIG    1       -0.766  -1.442  -1.717  0.00  0.00    -0.244 OA
ATOM     21  C   LIG    1       -1.658  -1.729  -0.927  0.00  0.00    +0.350 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.376  -2.989  -0.985  0.00  0.00    +0.097 A 
ATOM     23  C   LIG    1       -2.136  -3.987  -1.909  0.00  0.00    +0.209 A 
ATOM     24  O   LIG    1       -2.964  -5.043  -1.708  0.00  0.00    -0.470 OA
ATOM     25  C   LIG    1       -3.752  -4.731  -0.648  0.00  0.00    +0.195 A 
ATOM     26  C   LIG    1       -3.434  -3.483  -0.166  0.00  0.00    +0.056 A 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 6