@MOLECULE 115993 62 66 1 SMALL USER_CHARGES @ATOM 1 F1 -1.9954 -7.6676 -2.0273 F 1 noname -0.1568 2 C1 -1.1454 -7.1502 -2.8655 C.2 1 noname 0.0676 3 C2 0.1798 -6.7831 -2.4769 C.2 1 noname 0.0465 4 C3 -1.4736 -6.9132 -4.2259 C.2 1 noname 0.0321 5 C4 0.5217 -7.1799 -1.0995 C.2 1 noname 0.0324 6 C5 1.1209 -6.1562 -3.3598 C.2 1 noname 0.0037 7 C6 -0.5391 -6.3327 -5.1764 C.2 1 noname -0.0001 8 O1 -0.2926 -7.8334 -0.4123 O.2 1 noname -0.2913 9 N1 1.8303 -6.8009 -0.5380 N.3 1 noname -0.0631 10 C7 0.7525 -5.9469 -4.7039 C.2 1 noname -0.0216 11 C8 -0.8458 -6.1017 -6.5799 C.2 1 noname 0.0476 12 C9 1.8165 -6.3321 0.8729 C.3 1 noname 0.0218 13 C10 3.1417 -7.1284 -1.1974 C.3 1 noname 0.0190 14 N2 0.1516 -5.5844 -7.4007 N.2 1 noname -0.2222 15 C11 -2.1198 -6.3539 -7.1982 C.2 1 noname 0.0406 16 C12 2.6813 -5.0485 0.8553 C.3 1 noname 0.0230 17 C13 3.9140 -5.7773 -1.2371 C.3 1 noname 0.0119 18 C14 -0.0187 -5.3039 -8.7235 C.2 1 noname 0.0454 19 C15 -3.1561 -6.8360 -6.5897 C.1 1 noname -0.0101 20 C16 -2.2823 -6.0577 -8.5643 C.2 1 noname 0.0370 21 N3 3.9738 -5.3189 0.1774 N.3 1 noname -0.2977 22 C17 3.1366 -4.5792 2.2270 C.3 1 noname -0.0351 23 N4 -1.2387 -5.5468 -9.2746 N.2 1 noname -0.2309 24 C18 -4.0255 -7.2825 -5.9037 C.1 1 noname -0.0269 25 C19 -3.5656 -6.2974 -9.2181 C.3 1 noname 0.0467 26 C20 4.7288 -4.0945 0.4069 C.3 1 noname -0.0013 27 C21 4.3702 -3.7402 1.8607 C.3 1 noname -0.0389 28 C22 -4.9646 -7.7691 -5.1337 C.2 1 noname -0.0258 29 C23 -3.3763 -7.2945 -10.3630 C.3 1 noname -0.0597 30 C24 -5.2743 -7.1588 -3.8830 C.2 1 noname 0.0129 31 C25 -5.7030 -8.8933 -5.6051 C.2 1 noname -0.0243 32 N5 -6.3175 -7.7213 -3.1853 N.2 1 noname -0.2633 33 C26 -6.7725 -9.4459 -4.8597 C.2 1 noname -0.0315 34 C27 -7.0570 -8.8094 -3.6154 C.2 1 noname 0.0173 35 N6 -8.0556 -9.2719 -2.8509 N.3 1 noname -0.1209 36 H1 -2.4773 -7.1862 -4.5516 H 1 noname 0.0660 37 H2 2.1054 -5.8421 -3.0131 H 1 noname 0.0631 38 H3 1.4702 -5.4843 -5.3814 H 1 noname 0.0629 39 H4 0.7899 -6.0540 1.1114 H 1 noname 0.0452 40 H5 2.3295 -7.0864 1.4695 H 1 noname 0.0452 41 H6 3.6758 -7.8086 -0.5340 H 1 noname 0.0449 42 H7 2.9220 -7.4273 -2.2224 H 1 noname 0.0449 43 H8 2.0680 -4.2950 0.3611 H 1 noname 0.0480 44 H9 4.9388 -5.9766 -1.5502 H 1 noname 0.0444 45 H10 3.3092 -5.0518 -1.7811 H 1 noname 0.0444 46 H11 0.7962 -4.8976 -9.3225 H 1 noname 0.1061 47 H12 2.3727 -3.9169 2.6341 H 1 noname 0.0283 48 H13 3.4633 -5.4494 2.7964 H 1 noname 0.0283 49 H14 -4.1994 -6.7725 -8.4692 H 1 noname 0.0329 50 H15 -3.8610 -5.3444 -9.6569 H 1 noname 0.0329 51 H16 5.7870 -4.3504 0.3551 H 1 noname 0.0430 52 H17 4.3196 -3.3313 -0.2551 H 1 noname 0.0430 53 H18 4.0673 -2.6932 1.8759 H 1 noname 0.0280 54 H19 5.1924 -4.0789 2.4911 H 1 noname 0.0280 55 H20 -3.4406 -8.3107 -9.9742 H 1 noname 0.0234 56 H21 -4.1548 -7.1415 -11.1104 H 1 noname 0.0234 57 H22 -2.3987 -7.1415 -10.8202 H 1 noname 0.0234 58 H23 -4.7376 -6.3007 -3.4784 H 1 noname 0.0853 59 H24 -5.4424 -9.3433 -6.5631 H 1 noname 0.0637 60 H25 -7.3392 -10.3044 -5.2199 H 1 noname 0.0656 61 H26 -8.7996 -8.6526 -2.5629 H 1 noname 0.1257 62 H27 -8.0643 -10.2399 -2.5629 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 2 8 5 9 1 9 6 10 2 10 7 11 1 11 7 10 1 12 9 12 1 13 9 13 1 14 11 14 2 15 11 15 1 16 16 12 1 17 13 17 1 18 14 18 1 19 15 19 1 20 15 20 2 21 16 21 1 22 16 22 1 23 17 21 1 24 18 23 2 25 19 24 3 26 20 25 1 27 20 23 1 28 21 26 1 29 22 27 1 30 24 28 1 31 25 29 1 32 26 27 1 33 28 30 2 34 28 31 1 35 30 32 1 36 31 33 2 37 32 34 2 38 33 34 1 39 34 35 1 40 4 36 1 41 6 37 1 42 10 38 1 43 12 39 1 44 12 40 1 45 13 41 1 46 13 42 1 47 16 43 1 48 17 44 1 49 17 45 1 50 18 46 1 51 22 47 1 52 22 48 1 53 25 49 1 54 25 50 1 55 26 51 1 56 26 52 1 57 27 53 1 58 27 54 1 59 29 55 1 60 29 56 1 61 29 57 1 62 30 58 1 63 31 59 1 64 33 60 1 65 35 61 1 66 35 62 1 @SUBSTRUCTURE 1 noname 1