@MOLECULE 66563709 41 44 1 SMALL USER_CHARGES @ATOM 1 F1 3.7573 -8.5020 -0.5325 F 1 noname -0.2509 2 N1 3.4823 -3.2137 3.1325 N.3 1 noname -0.0958 3 N2 1.4799 -2.1294 3.2225 N.2 1 noname -0.2232 4 N3 1.2398 -0.0642 4.3154 N.3 1 noname -0.0119 5 N4 -0.6178 -1.0485 3.4396 N.2 1 noname -0.1888 6 C1 2.9091 -5.5677 1.5617 C.3 1 noname -0.0365 7 C2 4.0587 -4.6267 1.0517 C.3 1 noname -0.0370 8 C3 2.4113 -5.4553 3.0360 C.3 1 noname -0.0370 9 C4 4.1904 -3.2773 1.8633 C.3 1 noname 0.0048 10 C5 3.2128 -4.4206 3.8817 C.3 1 noname 0.0048 11 C6 3.2669 -7.0231 1.2538 C.3 1 noname -0.0216 12 C7 2.8224 -2.0973 3.5137 C.2 1 noname 0.0399 13 C8 3.4367 -7.1979 -0.2566 C.3 1 noname 0.0897 14 C9 3.4319 -1.0338 4.2535 C.2 1 noname -0.0407 15 C10 0.6992 -1.1185 3.6486 C.2 1 noname 0.0569 16 C11 2.5696 0.0214 4.6545 C.2 1 noname -0.0813 17 C12 0.2226 0.7874 4.4708 C.2 1 noname -0.0540 18 C13 -0.9311 0.1477 3.9407 C.2 1 noname 0.0186 19 C14 0.1677 2.1126 4.9941 C.2 1 noname -0.0325 20 C15 -2.2032 0.7623 3.9248 C.2 1 noname -0.0087 21 C16 -1.1035 2.7473 4.9647 C.2 1 noname -0.0470 22 C17 -2.2632 2.0878 4.4472 C.2 1 noname -0.0436 23 H1 2.0459 -5.3321 0.9393 H 1 noname 0.0304 24 H2 3.9032 -4.4023 -0.0036 H 1 noname 0.0282 25 H3 4.9901 -5.1700 1.2114 H 1 noname 0.0282 26 H4 1.3542 -5.1896 3.0433 H 1 noname 0.0282 27 H5 2.3688 -6.4425 3.4963 H 1 noname 0.0282 28 H6 3.8826 -2.4428 1.2333 H 1 noname 0.0435 29 H7 5.2525 -3.1192 2.0506 H 1 noname 0.0435 30 H8 2.6492 -4.1718 4.7809 H 1 noname 0.0435 31 H9 4.1734 -4.8954 4.0810 H 1 noname 0.0435 32 H10 2.4692 -7.6761 1.6078 H 1 noname 0.0296 33 H11 4.1987 -7.2823 1.7566 H 1 noname 0.0296 34 H12 2.5050 -6.9387 -0.7594 H 1 noname 0.0623 35 H13 4.2344 -6.5449 -0.6106 H 1 noname 0.0623 36 H14 4.4265 -1.0338 4.4794 H 1 noname 0.0669 37 H15 2.9268 0.8199 5.1790 H 1 noname 0.0797 38 H16 0.9941 2.5787 5.3685 H 1 noname 0.0643 39 H17 -3.0290 0.2865 3.5614 H 1 noname 0.0645 40 H18 -1.1916 3.6985 5.3221 H 1 noname 0.0623 41 H19 -3.1571 2.5791 4.4521 H 1 noname 0.0623 @BOND 1 1 13 1 2 2 9 1 3 2 10 1 4 2 12 1 5 3 12 2 6 3 15 1 7 4 15 1 8 4 16 1 9 4 17 1 10 5 15 2 11 5 18 1 12 6 7 1 13 6 8 1 14 6 11 1 15 6 23 1 16 7 9 1 17 7 24 1 18 7 25 1 19 8 10 1 20 8 26 1 21 8 27 1 22 9 28 1 23 9 29 1 24 10 30 1 25 10 31 1 26 11 13 1 27 11 32 1 28 11 33 1 29 12 14 1 30 13 34 1 31 13 35 1 32 14 16 2 33 14 36 1 34 16 37 1 35 17 18 1 36 17 19 2 37 18 20 2 38 19 21 1 39 19 38 1 40 20 22 1 41 20 39 1 42 21 22 2 43 21 40 1 44 22 41 1 @SUBSTRUCTURE 1 noname 1