REMARK  Name = BDB059406
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.026  -0.453  -0.220  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        1.828  -0.867   0.372  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1        0.589  -0.379  -0.079  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        0.570   0.561  -1.120  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1        1.758   0.965  -1.734  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        2.978   0.462  -1.280  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.640  -0.829   0.584  0.00  0.00    +0.058 A 
ATOM      8  N   LIG    1       -1.664  -1.530  -0.035  0.00  0.00    -0.310 N 
ATOM      9  C   LIG    1       -2.673  -1.757   0.885  0.00  0.00    +0.114 A 
ATOM     10  C   LIG    1       -3.876  -2.459   0.485  0.00  0.00    +0.273 A 
ATOM     11  N   LIG    1       -3.892  -2.871  -0.839  0.00  0.00    -0.326 N 
ATOM     12  H   LIG    1       -4.728  -3.365  -1.126  0.00  0.00    +0.168 HD
ATOM     13  C   LIG    1       -2.871  -2.654  -1.733  0.00  0.00    +0.104 A 
ATOM     14  O   LIG    1       -4.831  -2.696   1.221  0.00  0.00    -0.266 OA
ATOM     15  C   LIG    1       -2.288  -1.235   2.109  0.00  0.00    -0.019 A 
ATOM     16  C   LIG    1       -3.061  -1.269   3.378  0.00  0.00    +0.046 C 
ATOM     17  C   LIG    1       -1.770  -1.996  -1.345  0.00  0.00    +0.109 A 
ATOM     18  C   LIG    1       -1.002  -0.666   1.913  0.00  0.00    +0.032 A 
ENDBRANCH   3   7
BRANCH   1  21
ATOM     19  C   LIG    1        6.088  -2.024   1.330  0.00  0.00    +0.109 C 
ATOM     20  C   LIG    1        4.605  -1.773   1.211  0.00  0.00    +0.214 C 
ATOM     21  N   LIG    1        4.302  -0.904   0.178  0.00  0.00    -0.286 N 
ATOM     22  H   LIG    1        5.086  -0.532  -0.344  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1        3.818  -2.291   1.994  0.00  0.00    -0.276 OA
ENDBRANCH   1  21
BRANCH   4  24
ATOM     24  O   LIG    1       -0.634   1.041  -1.589  0.00  0.00    -0.452 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -0.860   2.388  -1.416  0.00  0.00    +0.164 A 
ATOM     26  C   LIG    1       -1.359   3.104  -2.506  0.00  0.00    +0.168 A 
ATOM     27  F   LIG    1       -1.554   2.491  -3.682  0.00  0.00    -0.202 F 
ATOM     28  C   LIG    1       -1.646   4.460  -2.398  0.00  0.00    +0.080 A 
ATOM     29  C   LIG    1       -1.442   5.093  -1.179  0.00  0.00    +0.126 A 
ATOM     30  F   LIG    1       -1.714   6.399  -1.062  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -0.963   4.393  -0.074  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -0.676   3.031  -0.187  0.00  0.00    +0.052 A 
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 4