REMARK  Name = BDB029825
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.286   2.092   0.128  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -0.226   2.924  -0.857  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.308   3.042  -1.720  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.406   1.589   1.011  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.655   0.672   1.126  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1        2.288   0.990   1.104  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        1.746   1.796   0.086  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        2.586   2.283  -0.915  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        2.092   3.050  -1.901  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        3.945   1.974  -0.903  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        4.984   2.577  -2.137  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        4.478   1.175   0.109  0.00  0.00    +0.033 A 
BRANCH   5  17
ATOM     13  C   LIG    1        6.895  -1.860   3.862  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        5.692  -1.224   3.292  0.00  0.00    +0.193 A 
ATOM     15  O   LIG    1        4.517  -1.438   3.958  0.00  0.00    -0.448 OA
ATOM     16  C   LIG    1        3.594  -0.750   3.227  0.00  0.00    +0.225 A 
ATOM     17  C   LIG    1        4.239  -0.158   2.166  0.00  0.00    +0.109 A 
ATOM     18  N   LIG    1        5.580  -0.468   2.219  0.00  0.00    -0.214 NA
ENDBRANCH   5  17
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -1.727   2.914  -1.037  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1       -2.174   3.817  -1.226  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -2.359   1.678  -2.020  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1       -3.343   2.321  -2.864  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1       -1.236   0.955  -2.580  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -3.191   0.671  -0.794  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.088  -0.411  -1.406  0.00  0.00    +0.016 C 
ATOM     26  C   LIG    1       -3.306  -1.536  -2.091  0.00  0.00    +0.033 C 
ATOM     27  C   LIG    1       -4.252  -2.586  -2.679  0.00  0.00    +0.160 C 
ATOM     28  O   LIG    1       -5.522  -2.635  -2.027  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1       -5.418  -2.447  -0.623  0.00  0.00    +0.160 C 
ATOM     30  C   LIG    1       -4.996  -1.013  -0.316  0.00  0.00    +0.033 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6