@MOLECULE 116025 56 59 1 SMALL USER_CHARGES @ATOM 1 F1 3.0599 -1.0226 2.8257 F 1 noname -0.1548 2 C1 1.8259 -0.6813 3.0566 C.2 1 noname 0.0795 3 C2 1.4574 -0.0416 4.2733 C.2 1 noname 0.0913 4 C3 0.8070 -0.9353 2.1035 C.2 1 noname 0.0265 5 C4 0.1099 0.3214 4.6007 C.2 1 noname 0.0795 6 C5 2.5675 0.2265 5.2061 C.2 1 noname 0.0476 7 C6 -0.5540 -0.5689 2.3623 C.2 1 noname 0.0121 8 F2 -0.1815 0.8682 5.7446 F 1 noname -0.1548 9 C7 -0.9008 0.0616 3.6270 C.2 1 noname 0.0265 10 O1 2.9961 -0.6983 5.9296 O.2 1 noname -0.2878 11 N1 3.1922 1.5851 5.3045 N.3 1 noname -0.0619 12 C8 -1.5566 -0.8056 1.3421 C.2 1 noname 0.0478 13 C9 3.5085 1.9106 6.7278 C.3 1 noname 0.0118 14 C10 2.6232 2.7556 4.5512 C.3 1 noname 0.0118 15 N2 -2.6042 0.0828 1.3543 N.2 1 noname -0.2213 16 C11 -1.5466 -1.8477 0.3414 C.2 1 noname 0.0415 17 C12 2.2383 2.3419 7.5271 C.3 1 noname 0.0244 18 C13 1.3515 3.3744 5.2124 C.3 1 noname 0.0244 19 C14 -3.6604 0.0381 0.4905 C.2 1 noname 0.0456 20 C15 -0.6462 -2.7984 0.1360 C.1 1 noname -0.0100 21 C16 -2.6463 -1.8756 -0.5334 C.2 1 noname 0.0371 22 C17 1.4432 3.4512 6.7710 C.3 1 noname 0.2503 23 N3 -3.6492 -0.9601 -0.4394 N.2 1 noname -0.2300 24 C18 0.1515 -3.6768 -0.0837 C.1 1 noname -0.0269 25 C19 -2.7143 -2.9076 -1.5639 C.3 1 noname 0.0467 26 F3 0.1816 3.5495 7.2987 F 1 noname -0.2067 27 F4 2.1466 4.6023 7.0154 F 1 noname -0.2067 28 C20 1.0403 -4.6408 -0.3117 C.2 1 noname -0.0258 29 C21 -3.9768 -3.7479 -1.3616 C.3 1 noname -0.0597 30 C22 2.2946 -4.6332 0.3745 C.2 1 noname 0.0129 31 C23 0.7695 -5.7035 -1.2376 C.2 1 noname -0.0243 32 N4 3.1796 -5.6587 0.1025 N.2 1 noname -0.2633 33 C24 1.6985 -6.7522 -1.5026 C.2 1 noname -0.0315 34 C25 2.9264 -6.6847 -0.7871 C.2 1 noname 0.0173 35 N5 3.8534 -7.6329 -0.9796 N.3 1 noname -0.1209 36 H1 1.0726 -1.4170 1.1625 H 1 noname 0.0660 37 H2 -1.9305 0.3428 3.8478 H 1 noname 0.0660 38 H3 3.8604 0.9771 7.1670 H 1 noname 0.0438 39 H4 4.1691 2.7767 6.6868 H 1 noname 0.0438 40 H5 3.3974 3.5219 4.5901 H 1 noname 0.0438 41 H6 2.3069 2.3487 3.5908 H 1 noname 0.0438 42 H7 1.5871 1.4686 7.5649 H 1 noname 0.0341 43 H8 2.5955 2.7957 8.4515 H 1 noname 0.0341 44 H9 1.3040 4.4058 4.8631 H 1 noname 0.0341 45 H10 0.5349 2.6866 4.9930 H 1 noname 0.0341 46 H11 -4.4723 0.7636 0.5408 H 1 noname 0.1061 47 H12 -2.8191 -2.3788 -2.5112 H 1 noname 0.0329 48 H13 -1.8557 -3.5574 -1.3945 H 1 noname 0.0329 49 H14 -4.1635 -3.8721 -0.2949 H 1 noname 0.0234 50 H15 -4.8263 -3.2442 -1.8229 H 1 noname 0.0234 51 H16 -3.8401 -4.7259 -1.8229 H 1 noname 0.0234 52 H17 2.5710 -3.8601 1.0915 H 1 noname 0.0853 53 H18 -0.1852 -5.7146 -1.7635 H 1 noname 0.0637 54 H19 1.4835 -7.5550 -2.2079 H 1 noname 0.0656 55 H20 3.5773 -8.6017 -1.0521 H 1 noname 0.1257 56 H21 4.8282 -7.3788 -1.0521 H 1 noname 0.1257 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 1 8 5 9 2 9 6 10 2 10 6 11 1 11 7 12 1 12 7 9 1 13 11 13 1 14 11 14 1 15 12 15 2 16 12 16 1 17 13 17 1 18 14 18 1 19 15 19 1 20 16 20 1 21 16 21 2 22 17 22 1 23 18 22 1 24 19 23 2 25 20 24 3 26 21 25 1 27 21 23 1 28 22 26 1 29 22 27 1 30 24 28 1 31 25 29 1 32 28 30 2 33 28 31 1 34 30 32 1 35 31 33 2 36 32 34 2 37 33 34 1 38 34 35 1 39 4 36 1 40 9 37 1 41 13 38 1 42 13 39 1 43 14 40 1 44 14 41 1 45 17 42 1 46 17 43 1 47 18 44 1 48 18 45 1 49 19 46 1 50 25 47 1 51 25 48 1 52 29 49 1 53 29 50 1 54 29 51 1 55 30 52 1 56 31 53 1 57 33 54 1 58 35 55 1 59 35 56 1 @SUBSTRUCTURE 1 noname 1