REMARK  Name = BDB059368
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.212   0.302  -1.657  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.075  -0.288  -0.752  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.786  -0.571   0.183  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.619   0.874  -2.666  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -3.503   0.135  -2.258  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -4.001   0.018  -0.958  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1       -3.135   0.004   0.149  0.00  0.00    +0.021 A 
ATOM      8  C   LIG    1       -1.752   0.102  -0.073  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1       -1.244   0.201  -1.374  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1       -2.126   0.229  -2.458  0.00  0.00    +0.058 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -3.670  -0.105   1.506  0.00  0.00    +0.135 A 
ATOM     12  O   LIG    1       -2.752  -0.283   2.505  0.00  0.00    -0.463 OA
ATOM     13  C   LIG    1       -3.433  -0.362   3.676  0.00  0.00    +0.196 A 
ATOM     14  C   LIG    1       -4.783  -0.242   3.455  0.00  0.00    +0.042 A 
ATOM     15  C   LIG    1       -4.938  -0.078   2.057  0.00  0.00    +0.050 A 
ENDBRANCH   7  11
BRANCH   5  17
ATOM     16  C   LIG    1       -5.661   0.113  -3.265  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -4.247   0.163  -3.405  0.00  0.00    -0.495 OA
ENDBRANCH   5  17
ENDBRANCH   1   9
BRANCH   2  18
ATOM     18  N   LIG    1        2.553   0.104  -0.879  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1        2.691   0.678  -1.729  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1        3.146   0.983   0.467  0.00  0.00    +0.076 S 
ATOM     21  O   LIG    1        2.347   0.563   1.604  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1        3.248   2.374   0.092  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1        4.763   0.330   0.661  0.00  0.00    +0.142 A 
ATOM     24  C   LIG    1        5.654   0.422  -0.401  0.00  0.00    +0.150 A 
ATOM     25  F   LIG    1        5.289   0.979  -1.564  0.00  0.00    -0.203 F 
ATOM     26  C   LIG    1        6.946  -0.079  -0.276  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        7.346  -0.674   0.922  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        6.451  -0.766   1.991  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        5.155  -0.264   1.865  0.00  0.00    +0.031 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 6