REMARK  Name = BDB059414
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.475   0.230   0.177  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1       -0.105  -1.051   0.209  0.00  0.00    +0.138 A 
ATOM      3  C   LIG    1        0.688  -2.178  -0.042  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        2.039  -2.032  -0.365  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1        2.626  -0.763  -0.423  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1        1.837   0.361  -0.138  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1  15
ATOM      7  C   LIG    1       -1.361   4.382   2.509  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1       -1.129   3.297   1.520  0.00  0.00    -0.019 A 
ATOM      9  C   LIG    1       -1.796   3.105   0.322  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1       -1.276   1.984  -0.303  0.00  0.00    -0.310 N 
ATOM     11  C   LIG    1       -1.741   1.577  -1.552  0.00  0.00    +0.109 A 
ATOM     12  C   LIG    1       -2.722   2.261  -2.155  0.00  0.00    +0.104 A 
ATOM     13  N   LIG    1       -3.264   3.367  -1.544  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1       -4.008   3.889  -1.991  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1       -0.289   1.438   0.501  0.00  0.00    +0.058 A 
ATOM     16  C   LIG    1       -2.861   3.858  -0.310  0.00  0.00    +0.273 A 
ATOM     17  O   LIG    1       -3.393   4.859   0.164  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1       -0.176   2.248   1.619  0.00  0.00    +0.032 A 
ENDBRANCH   1  15
BRANCH   2  19
ATOM     19  O   LIG    1       -1.433  -1.135   0.581  0.00  0.00    -0.452 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -2.183  -2.187   0.118  0.00  0.00    +0.164 A 
ATOM     21  C   LIG    1       -2.374  -2.446  -1.242  0.00  0.00    +0.168 A 
ATOM     22  F   LIG    1       -1.788  -1.682  -2.175  0.00  0.00    -0.202 F 
ATOM     23  C   LIG    1       -3.181  -3.499  -1.657  0.00  0.00    +0.080 A 
ATOM     24  C   LIG    1       -3.811  -4.282  -0.698  0.00  0.00    +0.126 A 
ATOM     25  F   LIG    1       -4.591  -5.298  -1.088  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1       -3.651  -4.026   0.661  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1       -2.840  -2.967   1.073  0.00  0.00    +0.052 A 
ENDBRANCH  19  20
ENDBRANCH   2  19
BRANCH   5  28
ATOM     28  C   LIG    1        4.086  -0.605  -0.758  0.00  0.00    +0.200 C 
BRANCH  28  29
ATOM     29  S   LIG    1        5.068  -0.794   0.728  0.00  0.00    -0.030 S 
ATOM     30  O   LIG    1        4.998  -2.176   1.167  0.00  0.00    -0.174 OA
ATOM     31  O   LIG    1        4.776   0.300   1.635  0.00  0.00    -0.174 OA
ATOM     32  C   LIG    1        6.715  -0.532   0.120  0.00  0.00    +0.194 C 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 5