@MOLECULE DB07110 30 31 1 SMALL USER_CHARGES @ATOM 1 F1 0.9213 4.0038 -5.5239 F 1 noname -0.1666 2 C1 1.1725 3.6938 -4.2856 C.2 1 noname 0.0145 3 C2 0.1830 2.9582 -3.5371 C.2 1 noname -0.0100 4 C3 2.4184 4.0935 -3.7140 C.2 1 noname -0.0100 5 C4 0.4437 2.6552 -2.1740 C.2 1 noname -0.0475 6 C5 2.6836 3.7679 -2.3462 C.2 1 noname -0.0475 7 C6 1.6771 3.0914 -1.5783 C.2 1 noname -0.0596 8 C7 1.8255 2.9588 -0.1087 C.3 1 noname 0.0061 9 C8 1.2434 4.2004 0.6462 C.3 1 noname -0.0349 10 C9 1.1640 3.9468 2.1870 C.3 1 noname -0.0374 11 C10 1.9395 5.5325 0.2151 C.3 1 noname -0.0374 12 C11 1.5785 5.1438 3.0957 C.3 1 noname -0.0045 13 C12 3.1166 5.9246 1.1254 C.3 1 noname -0.0045 14 N1 2.7062 5.9936 2.5662 N.3 1 noname -0.3166 15 H1 -0.7512 2.6350 -3.9964 H 1 noname 0.0653 16 H2 3.1522 4.6362 -4.3099 H 1 noname 0.0653 17 H3 -0.2912 2.0968 -1.5942 H 1 noname 0.0626 18 H4 3.6401 4.0319 -1.8950 H 1 noname 0.0626 19 H5 1.2156 2.0981 0.1656 H 1 noname 0.0318 20 H6 2.9003 2.9449 0.0719 H 1 noname 0.0318 21 H7 0.2070 4.3413 0.3395 H 1 noname 0.0307 22 H8 0.1087 3.7757 2.3991 H 1 noname 0.0282 23 H9 1.8947 3.1639 2.3904 H 1 noname 0.0282 24 H10 2.3758 5.3454 -0.7661 H 1 noname 0.0282 25 H11 1.1960 6.3197 0.3399 H 1 noname 0.0282 26 H12 0.7176 5.8115 3.1300 H 1 noname 0.0428 27 H13 1.9661 4.7067 4.0159 H 1 noname 0.0428 28 H14 3.8454 5.1165 1.0625 H 1 noname 0.0428 29 H15 3.4030 6.9394 0.8492 H 1 noname 0.0428 30 H16 3.1958 6.6207 3.1884 H 1 noname 0.1222 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 2 7 6 7 1 8 7 8 1 9 8 9 1 10 9 10 1 11 9 11 1 12 10 12 1 13 11 13 1 14 12 14 1 15 13 14 1 16 3 15 1 17 4 16 1 18 5 17 1 19 6 18 1 20 8 19 1 21 8 20 1 22 9 21 1 23 10 22 1 24 10 23 1 25 11 24 1 26 11 25 1 27 12 26 1 28 12 27 1 29 13 28 1 30 13 29 1 31 14 30 1 @SUBSTRUCTURE 1 noname 1