REMARK  Name = BDB002221
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.444  -0.783  -0.620  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1       -1.564   0.052  -0.496  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -2.788  -0.302  -1.080  0.00  0.00    +0.039 A 
ATOM      4  C   LIG    1       -2.905  -1.516  -1.769  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -1.797  -2.356  -1.889  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.577  -1.991  -1.320  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.945   0.623  -0.920  0.00  0.00    +0.263 C 
ATOM      8  N   LIG    1       -4.885   0.582  -1.953  0.00  0.00    -0.203 N 
ATOM      9  H   LIG    1       -4.505   0.320  -2.860  0.00  0.00    +0.178 HD
ATOM     10  O   LIG    1       -3.994   1.365   0.057  0.00  0.00    -0.268 OA
BRANCH   8  11
ATOM     11  N   LIG    1       -5.856   1.545  -2.050  0.00  0.00    -0.187 NA
ATOM     12  C   LIG    1       -6.718   1.675  -1.082  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -6.993   0.777   0.052  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -6.994  -0.603  -0.091  0.00  0.00    +0.120 A 
ATOM     15  N   LIG    1       -7.293  -1.463   0.913  0.00  0.00    -0.263 NA
ATOM     16  C   LIG    1       -7.604  -0.911   2.107  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1       -7.647   0.456   2.339  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -7.346   1.317   1.286  0.00  0.00    +0.012 A 
ENDBRANCH  12  13
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  C   LIG    1        0.868  -0.409   0.031  0.00  0.00    +0.264 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.915  -0.540  -0.930  0.00  0.00    -0.487 OA
BRANCH  20  24
ATOM     21  C   LIG    1        5.904   0.201   0.105  0.00  0.00    -0.045 A 
ATOM     22  C   LIG    1        4.908   0.352   1.081  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        3.561   0.115   0.780  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        3.187  -0.277  -0.503  0.00  0.00    +0.121 A 
ATOM     25  C   LIG    1        4.172  -0.428  -1.480  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        5.517  -0.193  -1.183  0.00  0.00    +0.007 A 
BRANCH  21  28
ATOM     27  C   LIG    1        7.616   1.907   0.818  0.00  0.00    +0.012 C 
ATOM     28  C   LIG    1        7.369   0.453   0.410  0.00  0.00    +0.013 C 
ATOM     29  C   LIG    1        7.895  -0.510   1.478  0.00  0.00    +0.012 C 
ENDBRANCH  21  28
ENDBRANCH  20  24
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 7