@MOLECULE 50305548 56 60 1 SMALL USER_CHARGES @ATOM 1 F1 2.8198 -3.7630 -0.0264 F 1 noname -0.1691 2 C1 2.1992 -2.6146 0.3926 C.3 1 noname 0.4059 3 F2 3.0148 -1.9486 1.2706 F 1 noname -0.1691 4 F3 1.0205 -2.9335 1.0159 F 1 noname -0.1691 5 C2 1.9118 -1.7204 -0.8152 C.3 1 noname 0.0410 6 N1 1.2735 -0.5393 -0.3842 N.3 1 noname 0.0415 7 N2 1.8616 0.5614 -0.0316 N.2 1 noname -0.2869 8 C3 -0.0433 -0.3556 -0.2667 C.2 1 noname 0.1089 9 C4 0.9580 1.4905 0.3231 C.2 1 noname 0.0366 10 N3 -1.0394 -1.2212 -0.5253 N.2 1 noname -0.2138 11 C5 -0.3132 0.9253 0.1798 C.2 1 noname 0.0131 12 C6 -2.3480 -0.8767 -0.3443 C.2 1 noname 0.0781 13 C7 -1.6563 1.3671 0.3414 C.2 1 noname 0.0480 14 N4 -2.6014 0.4025 0.0796 N.2 1 noname -0.2419 15 C8 -3.3935 -1.8247 -0.5825 C.2 1 noname -0.0180 16 C9 -2.0734 2.6984 0.6069 C.2 1 noname 0.0026 17 C10 -4.7806 -1.4495 -0.4618 C.2 1 noname -0.0119 18 C11 -2.9940 -3.1638 -0.9064 C.2 1 noname -0.0119 19 C12 -3.3845 3.0292 0.4949 C.2 1 noname -0.0350 20 C13 -1.0832 3.7728 0.8348 C.3 1 noname -0.0023 21 C14 -5.7886 -2.4317 -0.6528 C.2 1 noname -0.0218 22 C15 -3.9848 -4.1438 -1.0859 C.2 1 noname -0.0218 23 C16 -3.8448 4.4236 0.4247 C.3 1 noname 0.0655 24 C17 -1.4128 4.9088 -0.1724 C.3 1 noname 0.0512 25 C18 -5.3760 -3.7600 -0.9562 C.2 1 noname -0.0033 26 O1 -2.8284 5.2994 -0.1799 O.3 1 noname -0.3769 27 N5 -6.4390 -4.5880 -1.1363 N.3 1 noname -0.1235 28 C19 -6.3021 -5.6720 -2.0080 C.2 1 noname 0.1210 29 O2 -5.2328 -5.7519 -2.6503 O.2 1 noname -0.2543 30 N6 -7.2516 -6.6758 -2.2280 N.3 1 noname -0.1180 31 C20 -6.9579 -7.6775 -3.1018 C.2 1 noname 0.0128 32 C21 -7.9947 -8.6170 -3.2824 C.2 1 noname 0.0221 33 C22 -5.7284 -7.8779 -3.8508 C.2 1 noname -0.0159 34 N7 -7.7656 -9.6527 -4.1547 N.2 1 noname -0.2473 35 C23 -5.5008 -8.9496 -4.7492 C.2 1 noname -0.0194 36 C24 -6.5951 -9.8349 -4.8624 C.2 1 noname -0.0041 37 H1 2.8652 -1.3971 -1.2331 H 1 noname 0.0585 38 H2 1.1834 -2.2276 -1.4478 H 1 noname 0.0585 39 H3 1.2057 2.4975 0.6588 H 1 noname 0.0864 40 H4 -5.0670 -0.4244 -0.2265 H 1 noname 0.0630 41 H5 -1.9439 -3.4349 -1.0154 H 1 noname 0.0630 42 H6 -4.0650 2.1785 0.4614 H 1 noname 0.0603 43 H7 -1.2611 4.1502 1.8418 H 1 noname 0.0340 44 H8 -0.1099 3.3584 0.5721 H 1 noname 0.0340 45 H9 -6.8445 -2.1744 -0.5693 H 1 noname 0.0639 46 H10 -3.6848 -5.1658 -1.3175 H 1 noname 0.0639 47 H11 -4.6981 4.4304 -0.2535 H 1 noname 0.0611 48 H12 -3.9647 4.7585 1.4550 H 1 noname 0.0611 49 H13 -0.8809 5.7977 0.1667 H 1 noname 0.0569 50 H14 -1.2287 4.5112 -1.1705 H 1 noname 0.0569 51 H15 -7.2995 -4.4046 -0.6403 H 1 noname 0.1385 52 H16 -8.1456 -6.6773 -1.7579 H 1 noname 0.1385 53 H17 -8.9491 -8.5446 -2.7610 H 1 noname 0.0856 54 H18 -4.9111 -7.1670 -3.7288 H 1 noname 0.0640 55 H19 -4.5704 -9.0809 -5.3018 H 1 noname 0.0639 56 H20 -6.5335 -10.6976 -5.5258 H 1 noname 0.0839 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 1 7 6 8 1 8 7 9 2 9 8 10 2 10 8 11 1 11 9 11 1 12 10 12 1 13 11 13 2 14 12 14 2 15 12 15 1 16 13 16 1 17 13 14 1 18 15 17 2 19 15 18 1 20 16 19 2 21 16 20 1 22 17 21 1 23 18 22 2 24 19 23 1 25 20 24 1 26 21 25 2 27 22 25 1 28 23 26 1 29 24 26 1 30 25 27 1 31 27 28 1 32 28 29 2 33 28 30 1 34 30 31 1 35 31 32 2 36 31 33 1 37 32 34 1 38 33 35 2 39 34 36 2 40 35 36 1 41 5 37 1 42 5 38 1 43 9 39 1 44 17 40 1 45 18 41 1 46 19 42 1 47 20 43 1 48 20 44 1 49 21 45 1 50 22 46 1 51 23 47 1 52 23 48 1 53 24 49 1 54 24 50 1 55 27 51 1 56 30 52 1 57 32 53 1 58 33 54 1 59 35 55 1 60 36 56 1 @SUBSTRUCTURE 1 noname 1