@MOLECULE 71059746 30 33 1 SMALL USER_CHARGES @ATOM 1 F1 4.3665 -7.0788 0.2960 F 1 noname -0.1295 2 N1 1.8185 1.3404 0.0442 N.3 1 noname -0.0441 3 N2 -1.7330 3.2585 0.1556 N.2 1 noname -0.2827 4 N3 4.1877 -4.8655 -0.3110 N.2 1 noname -0.2015 5 C1 -0.0364 -0.0179 0.1261 C.2 1 noname -0.0236 6 C2 1.3720 0.0788 0.1139 C.2 1 noname -0.0841 7 C3 -0.4467 1.2981 0.1433 C.2 1 noname -0.0221 8 C4 0.7107 2.0981 0.0432 C.2 1 noname 0.0274 9 C5 2.1501 -1.0843 0.1633 C.2 1 noname -0.0280 10 C6 1.4516 -2.3433 0.1478 C.2 1 noname -0.0286 11 C7 -0.7918 -1.2105 0.0927 C.2 1 noname -0.0315 12 C8 0.0015 -2.3798 0.0808 C.2 1 noname -0.0366 13 C9 -1.7248 1.8832 0.2264 C.2 1 noname 0.0070 14 C10 0.6761 3.5091 -0.0401 C.2 1 noname -0.0189 15 C11 2.2028 -3.5783 0.1916 C.2 1 noname -0.0119 16 C12 -0.6265 4.0722 0.0154 C.2 1 noname -0.0029 17 C13 1.6861 -4.7741 0.8096 C.2 1 noname -0.0128 18 C14 3.5144 -3.6803 -0.3885 C.2 1 noname 0.0229 19 C15 2.3626 -6.0102 0.8697 C.2 1 noname 0.0296 20 C16 3.6559 -5.9892 0.2786 C.2 1 noname 0.0795 21 H1 2.7401 1.6401 0.0035 H 1 noname 0.1528 22 H2 3.1682 -1.0415 0.2083 H 1 noname 0.0649 23 H3 -1.8116 -1.2263 0.0785 H 1 noname 0.0630 24 H4 -0.4631 -3.2860 0.0228 H 1 noname 0.0629 25 H5 -2.5768 1.3322 0.3306 H 1 noname 0.0846 26 H6 1.5185 4.0767 -0.1326 H 1 noname 0.0658 27 H7 -0.7453 5.0832 -0.0486 H 1 noname 0.0839 28 H8 0.7608 -4.7221 1.2357 H 1 noname 0.0631 29 H9 3.9371 -2.8764 -0.8527 H 1 noname 0.0847 30 H10 1.9607 -6.8439 1.2984 H 1 noname 0.0670 @BOND 1 1 20 1 2 2 6 1 3 2 8 1 4 2 21 1 5 3 13 2 6 3 16 1 7 4 18 1 8 4 20 2 9 5 6 2 10 5 7 1 11 5 11 1 12 6 9 1 13 7 8 2 14 7 13 1 15 8 14 1 16 9 10 2 17 9 22 1 18 10 12 1 19 10 15 1 20 11 12 2 21 11 23 1 22 12 24 1 23 13 25 1 24 14 16 2 25 14 26 1 26 15 17 1 27 15 18 2 28 16 27 1 29 17 19 2 30 17 28 1 31 18 29 1 32 19 20 1 33 19 30 1 @SUBSTRUCTURE 1 noname 1