REMARK  Name = BDB059303
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.167  -0.083   0.356  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -1.439   0.457   0.429  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -1.638   1.366   0.003  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.032  -1.286   0.515  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.363   1.130  -0.256  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1        2.263   0.302   0.015  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1        0.963   0.838   0.063  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        0.781   2.203  -0.164  0.00  0.00    +0.136 A 
ATOM      9  F   LIG    1       -0.443   2.752  -0.134  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        1.865   3.034  -0.433  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1        3.154   2.501  -0.478  0.00  0.00    +0.030 A 
BRANCH   5  15
ATOM     12  C   LIG    1        7.379  -1.885  -0.172  0.00  0.00    +0.047 C 
ATOM     13  C   LIG    1        6.471  -0.723  -0.270  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        5.099  -0.696  -0.128  0.00  0.00    +0.117 A 
ATOM     15  N   LIG    1        4.687   0.607  -0.309  0.00  0.00    -0.240 N 
ATOM     16  N   LIG    1        5.743   1.421  -0.564  0.00  0.00    -0.175 NA
ATOM     17  C   LIG    1        6.805   0.617  -0.541  0.00  0.00    +0.138 A 
ENDBRANCH   5  15
ENDBRANCH   1   7
BRANCH   2  18
ATOM     18  N   LIG    1       -2.594  -0.557   0.363  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1       -2.220  -1.514   0.471  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1       -3.473  -0.498  -1.107  0.00  0.00    +0.074 S 
ATOM     21  O   LIG    1       -3.126  -1.686  -1.855  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1       -3.307   0.831  -1.661  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -5.136  -0.656  -0.518  0.00  0.00    +0.107 A 
ATOM     24  C   LIG    1       -5.794  -1.886  -0.607  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1       -7.111  -1.993  -0.159  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -7.763  -0.876   0.366  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -7.106   0.353   0.442  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -5.789   0.469  -0.004  0.00  0.00    +0.028 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 5