REMARK  Name = BDB057221
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.117   0.501  -3.466  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1        1.240   0.329  -2.485  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1        2.333  -0.309  -3.076  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1        3.454  -0.623  -2.333  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        3.461  -0.296  -0.972  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        2.353   0.324  -0.353  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        2.048  -0.639  -4.507  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1        1.233   0.646  -1.131  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        0.841   0.266  -4.803  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        2.393   0.590   1.077  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1        3.565   0.518   1.829  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        3.183   0.799   3.046  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1        3.814   0.927   4.373  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1        2.694   1.639   5.179  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1        1.376   1.333   4.441  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1        1.846   1.031   3.107  0.00  0.00    -0.334 N 
ATOM     17  C   LIG    1        1.306   0.914   1.882  0.00  0.00    +0.115 A 
ENDBRANCH   6  10
BRANCH   1  19
ATOM     18  C   LIG    1       -2.226  -0.250  -3.515  0.00  0.00    +0.218 C 
ATOM     19  N   LIG    1       -0.910  -0.478  -3.194  0.00  0.00    -0.308 N 
ATOM     20  H   LIG    1       -0.701  -1.176  -2.490  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1       -2.590   0.644  -4.273  0.00  0.00    -0.275 OA
BRANCH  18  22
ATOM     22  C   LIG    1       -3.206  -1.208  -2.852  0.00  0.00    +0.131 C 
BRANCH  22  28
ATOM     23  C   LIG    1       -2.952  -0.163   0.814  0.00  0.00    +0.123 A 
ATOM     24  C   LIG    1       -2.504  -1.354   1.411  0.00  0.00    -0.009 A 
ATOM     25  C   LIG    1       -2.201  -1.409   2.883  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1       -2.332  -2.501   0.623  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -2.591  -2.469  -0.747  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -3.016  -1.283  -1.352  0.00  0.00    -0.035 A 
ATOM     29  C   LIG    1       -3.208  -0.138  -0.561  0.00  0.00    +0.050 A 
BRANCH  23  31
ATOM     30  C   LIG    1       -3.639   2.105   1.099  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -3.092   0.914   1.654  0.00  0.00    -0.495 OA
ENDBRANCH  23  31
ENDBRANCH  22  28
ENDBRANCH  18  22
ENDBRANCH   1  19
TORSDOF 5