@MOLECULE 116013 62 66 1 SMALL USER_CHARGES @ATOM 1 F1 -3.5772 -6.0137 0.1763 F 1 noname -0.1548 2 C1 -2.3961 -6.0372 -0.3687 C.2 1 noname 0.0795 3 C2 -1.5699 -4.8747 -0.4251 C.2 1 noname 0.0913 4 C3 -1.8548 -7.2286 -0.9439 C.2 1 noname 0.0265 5 C4 -0.2409 -4.8879 -0.9673 C.2 1 noname 0.0795 6 C5 -2.1774 -3.6226 0.0707 C.2 1 noname 0.0475 7 C6 -0.5380 -7.2737 -1.5506 C.2 1 noname 0.0121 8 F2 0.4934 -3.8144 -0.9406 F 1 noname -0.1548 9 C7 0.2566 -6.0803 -1.5287 C.2 1 noname 0.0265 10 O1 -3.3556 -3.5939 0.4870 O.2 1 noname -0.2879 11 N1 -1.3367 -2.4013 0.0558 N.3 1 noname -0.0622 12 C8 0.0474 -8.4590 -2.1701 C.2 1 noname 0.0478 13 C9 -1.7820 -1.4592 1.1159 C.3 1 noname 0.0067 14 C10 -1.2275 -1.7822 -1.3075 C.3 1 noname 0.0067 15 N2 1.2837 -8.3329 -2.7973 N.2 1 noname -0.2213 16 C11 -0.5293 -9.7761 -2.1821 C.2 1 noname 0.0415 17 C12 -0.6047 -0.4822 1.3693 C.3 1 noname -0.0317 18 C13 -0.3340 -0.5102 -1.3507 C.3 1 noname -0.0317 19 C14 1.9559 -9.3635 -3.3833 C.2 1 noname 0.0456 20 C15 -1.6697 -10.0824 -1.6600 C.1 1 noname -0.0100 21 C16 0.1746 -10.8358 -2.7865 C.2 1 noname 0.0371 22 C17 -0.0089 0.1061 0.0488 C.3 1 noname -0.0022 23 N3 1.3866 -10.5989 -3.3612 N.2 1 noname -0.2300 24 C18 -2.7335 -10.2324 -1.1385 C.1 1 noname -0.0269 25 C19 -0.3919 -12.1814 -2.7970 C.3 1 noname 0.0467 26 C20 1.4886 0.3739 0.1890 C.3 1 noname 0.0022 27 C21 -0.1832 1.6159 -0.0333 C.3 1 noname 0.0022 28 C22 -3.9017 -10.3776 -0.5567 C.2 1 noname -0.0258 29 C23 -0.5739 -12.6469 -4.2431 C.3 1 noname -0.0597 30 N4 1.2720 1.8186 0.0223 N.3 1 noname -0.3154 31 C24 -3.9862 -10.3667 0.8664 C.2 1 noname 0.0129 32 C25 -5.0583 -10.6016 -1.3595 C.2 1 noname -0.0243 33 N5 -5.2406 -10.5906 1.3858 N.2 1 noname -0.2633 34 C26 -6.3327 -10.8282 -0.7882 C.2 1 noname -0.0315 35 C27 -6.3797 -10.8149 0.6395 C.2 1 noname 0.0173 36 N6 -7.5471 -11.0233 1.2634 N.3 1 noname -0.1209 37 H1 -2.4655 -8.1312 -0.9190 H 1 noname 0.0660 38 H2 1.2625 -6.0794 -1.9487 H 1 noname 0.0660 39 H3 -2.6108 -0.8877 0.6980 H 1 noname 0.0436 40 H4 -1.9290 -2.0518 2.0188 H 1 noname 0.0436 41 H5 -0.7288 -2.5319 -1.9218 H 1 noname 0.0436 42 H6 -2.2385 -1.4590 -1.5555 H 1 noname 0.0436 43 H7 -1.0288 0.3614 1.9140 H 1 noname 0.0286 44 H8 0.1873 -1.0797 1.8207 H 1 noname 0.0286 45 H9 0.6219 -0.8382 -1.7591 H 1 noname 0.0286 46 H10 -0.9218 0.2423 -1.8763 H 1 noname 0.0286 47 H11 2.9242 -9.2036 -3.8576 H 1 noname 0.1061 48 H12 0.3566 -12.8254 -2.3355 H 1 noname 0.0329 49 H13 -1.3832 -12.0927 -2.3525 H 1 noname 0.0329 50 H14 1.8291 0.1609 1.2023 H 1 noname 0.0434 51 H15 2.0370 -0.0234 -0.6650 H 1 noname 0.0434 52 H16 -0.5649 1.9098 -1.0111 H 1 noname 0.0434 53 H17 -0.6499 2.0024 0.8727 H 1 noname 0.0434 54 H18 -0.5780 -13.7364 -4.2762 H 1 noname 0.0234 55 H19 -1.5196 -12.2680 -4.6305 H 1 noname 0.0234 56 H20 0.2464 -12.2680 -4.8527 H 1 noname 0.0234 57 H21 1.8780 2.6248 -0.0321 H 1 noname 0.1222 58 H22 -3.1342 -10.1958 1.5244 H 1 noname 0.0853 59 H23 -4.9651 -10.5995 -2.4455 H 1 noname 0.0637 60 H24 -7.2154 -11.0007 -1.4040 H 1 noname 0.0656 61 H25 -8.1408 -10.2408 1.4985 H 1 noname 0.1257 62 H26 -7.8333 -11.9629 1.4985 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 26 30 1 33 27 30 1 34 28 31 2 35 28 32 1 36 31 33 1 37 32 34 2 38 33 35 2 39 34 35 1 40 35 36 1 41 4 37 1 42 9 38 1 43 13 39 1 44 13 40 1 45 14 41 1 46 14 42 1 47 17 43 1 48 17 44 1 49 18 45 1 50 18 46 1 51 19 47 1 52 25 48 1 53 25 49 1 54 26 50 1 55 26 51 1 56 27 52 1 57 27 53 1 58 29 54 1 59 29 55 1 60 29 56 1 61 30 57 1 62 31 58 1 63 32 59 1 64 34 60 1 65 36 61 1 66 36 62 1 @SUBSTRUCTURE 1 noname 1