@MOLECULE 71654746 57 61 1 SMALL USER_CHARGES @ATOM 1 F1 -0.3876 -2.0284 0.3565 F 1 noname -0.1616 2 O1 -1.4792 -4.3822 0.1347 O.2 1 noname -0.2728 3 N1 5.7849 -4.9223 -3.6502 N.2 1 noname -0.2340 4 N2 3.7852 -4.3632 -2.6301 N.3 1 noname -0.0420 5 N3 -3.4597 -8.4864 -5.3265 N.3 1 noname 0.0110 6 N4 -1.5059 -5.1381 -2.0390 N.3 1 noname -0.1107 7 N5 -3.0913 -6.4427 -3.2136 N.2 1 noname -0.2038 8 N6 -5.5120 -8.8095 -4.6919 N.2 1 noname -0.1508 9 N7 -5.2867 -9.6722 -5.6264 N.2 1 noname -0.1637 10 C1 5.2771 -6.9083 -4.8031 C.3 1 noname 0.0531 11 C2 6.4265 -7.7064 -4.1532 C.3 1 noname -0.0442 12 C3 5.0095 -8.2837 -4.1844 C.3 1 noname -0.0442 13 C4 4.8682 -5.7876 -3.9914 C.2 1 noname 0.0141 14 C5 3.6499 -5.4693 -3.3931 C.2 1 noname -0.0826 15 C6 5.1311 -4.0935 -2.8558 C.2 1 noname -0.0399 16 C7 2.7064 -3.7638 -1.8556 C.2 1 noname -0.0179 17 C8 2.8449 -2.5619 -1.0781 C.2 1 noname -0.0161 18 C9 1.3977 -4.3632 -1.8084 C.2 1 noname 0.0053 19 C10 0.3243 -3.8268 -1.0571 C.2 1 noname 0.0269 20 C11 1.7840 -2.0061 -0.3407 C.2 1 noname -0.0013 21 C12 4.0746 -1.7645 -0.9418 C.3 1 noname 0.0091 22 C13 0.5338 -2.6289 -0.3341 C.2 1 noname 0.0347 23 C14 -2.1175 -7.9783 -5.4705 C.3 1 noname -0.0362 24 C15 -0.9327 -4.4697 -0.9830 C.2 1 noname 0.1043 25 C16 -4.4048 -8.0701 -4.4540 C.2 1 noname 0.0304 26 C17 -2.1059 -6.8084 -6.4667 C.3 1 noname -0.0463 27 C18 -1.0215 -9.0082 -5.8208 C.3 1 noname -0.0463 28 C19 -4.2512 -7.1455 -3.3883 C.2 1 noname 0.0408 29 C20 -4.0194 -9.4922 -6.0168 C.2 1 noname 0.0008 30 C21 -2.7393 -5.7554 -2.0902 C.2 1 noname 0.0445 31 C22 -5.2341 -7.0704 -2.3829 C.2 1 noname -0.0017 32 C23 -3.6863 -5.7915 -1.0440 C.2 1 noname 0.0023 33 C24 -4.9237 -6.4133 -1.1934 C.2 1 noname -0.0252 34 H1 5.5236 -6.7399 -5.8496 H 1 noname 0.0368 35 H2 6.7827 -7.3968 -3.1700 H 1 noname 0.0273 36 H3 7.1300 -8.1671 -4.8476 H 1 noname 0.0273 37 H4 4.5386 -8.2949 -3.2002 H 1 noname 0.0273 38 H5 4.9655 -9.1739 -4.7990 H 1 noname 0.0273 39 H6 2.8266 -6.0425 -3.5451 H 1 noname 0.0815 40 H7 5.7618 -3.3744 -2.5453 H 1 noname 0.1019 41 H8 1.2096 -5.2249 -2.3122 H 1 noname 0.0651 42 H9 1.9342 -1.1393 0.1957 H 1 noname 0.0657 43 H10 4.0201 -0.7837 -1.4310 H 1 noname 0.0280 44 H11 4.5282 -1.8198 0.0562 H 1 noname 0.0280 45 H12 4.7834 -2.1804 -1.4927 H 1 noname 0.0280 46 H13 -1.8678 -7.4927 -4.5272 H 1 noname 0.0504 47 H14 -1.0891 -6.4296 -6.5705 H 1 noname 0.0249 48 H15 -2.7544 -6.0126 -6.1001 H 1 noname 0.0249 49 H16 -2.4660 -7.1530 -7.4360 H 1 noname 0.0249 50 H17 -0.0595 -8.5020 -5.9012 H 1 noname 0.0249 51 H18 -1.2616 -9.4853 -6.7710 H 1 noname 0.0249 52 H19 -0.9698 -9.7643 -5.0374 H 1 noname 0.0249 53 H20 -0.9717 -5.1731 -2.8467 H 1 noname 0.1390 54 H21 -3.5405 -10.0523 -6.7273 H 1 noname 0.1036 55 H22 -6.1361 -7.5290 -2.4824 H 1 noname 0.0646 56 H23 -3.5173 -5.3747 -0.1483 H 1 noname 0.0656 57 H24 -5.5857 -6.4034 -0.4207 H 1 noname 0.0624 @BOND 1 1 22 1 2 2 24 2 3 3 13 1 4 3 15 2 5 4 14 1 6 4 15 1 7 4 16 1 8 5 23 1 9 5 25 1 10 5 29 1 11 6 24 1 12 6 30 1 13 6 53 1 14 7 28 2 15 7 30 1 16 8 9 1 17 8 25 2 18 9 29 2 19 10 11 1 20 10 12 1 21 10 13 1 22 10 34 1 23 11 12 1 24 11 35 1 25 11 36 1 26 12 37 1 27 12 38 1 28 13 14 2 29 14 39 1 30 15 40 1 31 16 17 1 32 16 18 2 33 17 20 2 34 17 21 1 35 18 19 1 36 18 41 1 37 19 22 2 38 19 24 1 39 20 22 1 40 20 42 1 41 21 43 1 42 21 44 1 43 21 45 1 44 23 26 1 45 23 27 1 46 23 46 1 47 25 28 1 48 26 47 1 49 26 48 1 50 26 49 1 51 27 50 1 52 27 51 1 53 27 52 1 54 28 31 1 55 29 54 1 56 30 32 2 57 31 33 2 58 31 55 1 59 32 33 1 60 32 56 1 61 33 57 1 @SUBSTRUCTURE 1 noname 1