@MOLECULE 50389074 43 46 1 SMALL USER_CHARGES @ATOM 1 F1 3.3061 14.3562 -0.5037 F 1 noname -0.1661 2 C1 2.9989 13.4933 0.5165 C.3 1 noname 0.4161 3 F2 2.5553 14.2064 1.6002 F 1 noname -0.1661 4 F3 2.0170 12.6297 0.1045 F 1 noname -0.1661 5 C2 4.1900 12.7347 0.8875 C.2 1 noname 0.0043 6 C3 4.4590 11.4942 0.2315 C.2 1 noname 0.0007 7 C4 5.0615 13.2524 1.9011 C.2 1 noname -0.0092 8 C5 5.6369 10.8106 0.6384 C.2 1 noname -0.0478 9 C6 6.2368 12.5539 2.3060 C.2 1 noname -0.0012 10 N1 6.1466 9.6484 0.2097 N.3 1 noname -0.0348 11 C7 6.4915 11.3225 1.6417 C.2 1 noname 0.0121 12 C8 7.2631 9.4762 0.9437 C.2 1 noname -0.0350 13 N2 7.4996 10.4706 1.8145 N.2 1 noname -0.2260 14 C9 8.1330 8.3107 0.8759 C.3 1 noname 0.0569 15 C10 7.6903 7.3606 1.8873 C.2 1 noname -0.0088 16 N3 7.2122 6.1854 1.4300 N.2 1 noname -0.2272 17 N4 7.7315 7.5717 3.2466 N.3 1 noname 0.0397 18 C11 6.8100 5.1989 2.2758 C.2 1 noname -0.0240 19 C12 7.3004 6.6292 4.1538 C.2 1 noname 0.0582 20 N5 6.5246 4.0118 1.6543 N.3 1 noname -0.1067 21 C13 6.8137 5.3881 3.6880 C.2 1 noname 0.0684 22 O1 7.3397 6.8704 5.3797 O.2 1 noname -0.2904 23 C14 5.1597 3.6468 1.3042 C.3 1 noname 0.0281 24 C15 7.6764 3.2493 1.1986 C.3 1 noname 0.0281 25 C16 5.0642 2.9768 -0.1070 C.3 1 noname 0.0599 26 C17 7.6201 3.1765 -0.3620 C.3 1 noname 0.0599 27 O2 6.2645 3.0866 -0.9353 O.3 1 noname -0.3786 28 H1 3.8008 11.0909 -0.5381 H 1 noname 0.0649 29 H2 4.8239 14.2037 2.3772 H 1 noname 0.0629 30 H3 6.9020 12.9390 3.0788 H 1 noname 0.0646 31 H4 5.7736 9.0400 -0.5051 H 1 noname 0.1540 32 H5 7.9690 7.8446 -0.0956 H 1 noname 0.0422 33 H6 9.1323 8.6399 1.1608 H 1 noname 0.0422 34 H7 8.0912 8.4504 3.5910 H 1 noname 0.1386 35 H8 6.4616 4.6212 4.3780 H 1 noname 0.0708 36 H9 4.8743 2.8972 2.0423 H 1 noname 0.0459 37 H10 4.6228 4.5940 1.2537 H 1 noname 0.0459 38 H11 8.5518 3.8334 1.4823 H 1 noname 0.0459 39 H12 7.5421 2.2420 1.5929 H 1 noname 0.0459 40 H13 4.9525 1.9053 0.0593 H 1 noname 0.0580 41 H14 4.3044 3.5238 -0.6652 H 1 noname 0.0580 42 H15 8.0096 4.1241 -0.7341 H 1 noname 0.0580 43 H16 8.0986 2.2402 -0.6494 H 1 noname 0.0580 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 5 7 1 7 6 8 1 8 7 9 2 9 8 10 1 10 8 11 2 11 9 11 1 12 10 12 1 13 11 13 1 14 12 14 1 15 12 13 2 16 14 15 1 17 15 16 2 18 15 17 1 19 16 18 1 20 17 19 1 21 18 20 1 22 18 21 2 23 19 22 2 24 19 21 1 25 20 23 1 26 20 24 1 27 23 25 1 28 24 26 1 29 25 27 1 30 26 27 1 31 6 28 1 32 7 29 1 33 9 30 1 34 10 31 1 35 14 32 1 36 14 33 1 37 17 34 1 38 21 35 1 39 23 36 1 40 23 37 1 41 24 38 1 42 24 39 1 43 25 40 1 44 25 41 1 45 26 42 1 46 26 43 1 @SUBSTRUCTURE 1 noname 1