@MOLECULE 72941673 43 44 1 SMALL USER_CHARGES @ATOM 1 F1 -2.1960 3.0187 2.7763 F 1 noname -0.1679 2 O1 1.7427 -0.8520 2.3787 O.3 1 noname -0.2869 3 N1 2.4336 3.2404 -0.1851 N.3 1 noname -0.3000 4 C1 1.4890 2.2396 -0.6846 C.3 1 noname 0.0141 5 C2 0.0823 2.8868 -0.8540 C.3 1 noname -0.0330 6 C3 1.4976 0.9894 0.2508 C.3 1 noname 0.0286 7 C4 -0.7352 3.0445 0.4606 C.3 1 noname 0.0245 8 C5 0.5996 1.0494 1.4333 C.2 1 noname -0.0174 9 C6 -0.4458 2.0452 1.5181 C.2 1 noname -0.0001 10 C7 2.5196 4.3470 -1.1366 C.3 1 noname -0.0017 11 C8 3.7525 2.6297 -0.0273 C.3 1 noname -0.0017 12 C9 0.7768 0.0869 2.4687 C.2 1 noname -0.0108 13 C10 3.5067 5.3929 -0.6145 C.3 1 noname -0.0432 14 C11 4.2357 2.1028 -1.3801 C.3 1 noname -0.0432 15 C12 -1.2802 2.1005 2.6720 C.2 1 noname 0.0000 16 C13 -0.0910 0.1360 3.6068 C.2 1 noname -0.0271 17 C14 -1.1023 1.1395 3.7125 C.2 1 noname -0.0097 18 C15 3.5967 6.5511 -1.6102 C.3 1 noname -0.0642 19 C16 5.6160 1.4638 -1.2150 C.3 1 noname -0.0642 20 H1 1.8812 1.9592 -1.6711 H 1 noname 0.0470 21 H2 -0.4977 2.3118 -1.5758 H 1 noname 0.0286 22 H3 0.1916 3.8627 -1.3270 H 1 noname 0.0286 23 H4 1.2706 0.0973 -0.3329 H 1 noname 0.0333 24 H5 2.5120 0.7747 0.5871 H 1 noname 0.0333 25 H6 -1.8005 3.0311 0.2298 H 1 noname 0.0317 26 H7 -0.5447 4.0185 0.9114 H 1 noname 0.0317 27 H8 1.5362 4.8023 -1.2542 H 1 noname 0.0430 28 H9 2.8638 3.9717 -2.1003 H 1 noname 0.0430 29 H10 3.6884 1.8046 0.6820 H 1 noname 0.0430 30 H11 4.4558 3.3748 0.3446 H 1 noname 0.0430 31 H12 3.1625 5.7683 0.3492 H 1 noname 0.0277 32 H13 4.4901 4.9376 -0.4969 H 1 noname 0.0277 33 H14 3.5325 1.3577 -1.7520 H 1 noname 0.0277 34 H15 4.2998 2.9279 -2.0895 H 1 noname 0.0277 35 H16 0.0143 -0.5537 4.3508 H 1 noname 0.0651 36 H17 -1.7016 1.1694 4.5373 H 1 noname 0.0654 37 H18 5.9602 1.0884 -2.1787 H 1 noname 0.0231 38 H19 4.3000 7.2962 -1.2383 H 1 noname 0.0231 39 H20 2.6134 7.0064 -1.7278 H 1 noname 0.0231 40 H21 3.9409 6.1757 -2.5739 H 1 noname 0.0231 41 H22 5.5519 0.6387 -0.5056 H 1 noname 0.0231 42 H23 6.3193 2.2089 -0.8431 H 1 noname 0.0231 43 H24 1.7177 -1.4237 3.1743 H 1 noname 0.2182 @BOND 1 1 15 1 2 2 12 1 3 2 43 1 4 4 3 1 5 3 10 1 6 3 11 1 7 4 5 1 8 4 6 1 9 4 20 1 10 5 7 1 11 5 21 1 12 5 22 1 13 6 8 1 14 6 23 1 15 6 24 1 16 7 9 1 17 7 25 1 18 7 26 1 19 8 9 1 20 8 12 2 21 9 15 2 22 10 13 1 23 10 27 1 24 10 28 1 25 11 14 1 26 11 29 1 27 11 30 1 28 12 16 1 29 13 18 1 30 13 31 1 31 13 32 1 32 14 19 1 33 14 33 1 34 14 34 1 35 15 17 1 36 16 17 2 37 16 35 1 38 17 36 1 39 18 38 1 40 18 39 1 41 18 40 1 42 19 37 1 43 19 41 1 44 19 42 1 @SUBSTRUCTURE 1 noname 1