@MOLECULE 213780 55 60 1 SMALL USER_CHARGES @ATOM 1 F1 1.5306 -7.0947 0.3585 F 1 noname -0.1661 2 C1 1.7060 -5.9785 -0.4181 C.3 1 noname 0.4161 3 F2 2.8070 -6.1464 -1.2175 F 1 noname -0.1661 4 F3 1.8891 -4.8849 0.3882 F 1 noname -0.1661 5 C2 0.5251 -5.7757 -1.2524 C.2 1 noname -0.0003 6 C3 -0.2536 -4.5777 -1.1623 C.2 1 noname 0.0064 7 C4 0.1002 -6.7649 -2.1918 C.2 1 noname -0.0214 8 C5 -1.4549 -4.3389 -1.9279 C.2 1 noname -0.0070 9 C6 -1.0441 -6.6046 -3.0309 C.2 1 noname -0.0424 10 N1 -2.2425 -3.1369 -1.7569 N.3 1 noname -0.1044 11 C7 -1.7971 -5.3978 -2.8809 C.2 1 noname -0.0252 12 C8 -3.4040 -2.9617 -2.6348 C.2 1 noname 0.0557 13 C9 -2.0547 -2.0016 -0.8652 C.2 1 noname 0.0536 14 O1 -4.3517 -3.7708 -2.7336 O.2 1 noname -0.2687 15 N2 -3.2963 -1.6952 -3.3853 N.3 1 noname -0.0437 16 C10 -1.4331 -1.9960 0.4236 C.2 1 noname 0.0532 17 C11 -2.5683 -0.7046 -1.2609 C.2 1 noname 0.0308 18 C12 -3.3967 -0.5489 -2.4644 C.3 1 noname 0.0351 19 C13 -3.1224 -1.5964 -4.7810 C.3 1 noname -0.0041 20 N3 -1.0224 -3.0977 1.1185 N.2 1 noname -0.2179 21 C14 -1.2291 -0.7454 1.1169 C.2 1 noname 0.0301 22 C15 -2.3875 0.4875 -0.5348 C.2 1 noname 0.0230 23 C16 -0.3850 -3.0839 2.3315 C.2 1 noname 0.0258 24 N4 -1.7002 0.4207 0.6202 N.2 1 noname -0.2323 25 C17 -0.5736 -0.6455 2.3533 C.2 1 noname 0.0059 26 C18 0.0134 -4.3155 2.9274 C.2 1 noname -0.0218 27 C19 -0.1430 -1.8300 2.9633 C.2 1 noname -0.0025 28 C20 -0.7471 -5.4938 2.6840 C.2 1 noname 0.0229 29 C21 1.1708 -4.3795 3.7691 C.2 1 noname -0.0135 30 N5 -0.3356 -6.6269 3.3024 N.2 1 noname -0.2388 31 C22 1.5839 -5.5588 4.4151 C.2 1 noname -0.0071 32 C23 0.7544 -6.6819 4.1420 C.2 1 noname 0.0502 33 N6 1.0525 -7.9471 4.5136 N.3 1 noname 0.0039 34 N7 0.1374 -8.7792 4.9290 N.2 1 noname -0.2833 35 C24 2.2217 -8.5769 4.2223 C.2 1 noname -0.0585 36 C25 0.6176 -10.0201 4.7063 C.2 1 noname 0.0188 37 C26 1.9198 -9.9188 4.2542 C.2 1 noname -0.0028 38 H1 0.0868 -3.8051 -0.4729 H 1 noname 0.0645 39 H2 0.6768 -7.6863 -2.2722 H 1 noname 0.0628 40 H3 -1.3298 -7.3691 -3.7534 H 1 noname 0.0623 41 H4 -2.6710 -5.2797 -3.5216 H 1 noname 0.0639 42 H5 -2.9871 0.3065 -3.0015 H 1 noname 0.0487 43 H6 -4.4297 -0.5305 -2.1169 H 1 noname 0.0487 44 H7 -3.0687 -2.5960 -5.2122 H 1 noname 0.0399 45 H8 -3.9652 -1.0583 -5.2150 H 1 noname 0.0399 46 H9 -2.1989 -1.0583 -4.9950 H 1 noname 0.0399 47 H10 -2.7753 1.4517 -0.8634 H 1 noname 0.0843 48 H11 -0.4042 0.3223 2.8253 H 1 noname 0.0646 49 H12 0.3756 -1.7764 3.9205 H 1 noname 0.0646 50 H13 -1.6248 -5.5278 2.0386 H 1 noname 0.0847 51 H14 1.7694 -3.4823 3.9265 H 1 noname 0.0631 52 H15 2.4596 -5.5985 5.0628 H 1 noname 0.0660 53 H16 3.1843 -8.1111 4.0109 H 1 noname 0.0814 54 H17 0.0543 -10.9399 4.8636 H 1 noname 0.0856 55 H18 2.5813 -10.7393 3.9762 H 1 noname 0.0653 @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 10 13 1 14 12 14 2 15 12 15 1 16 13 16 1 17 13 17 2 18 15 18 1 19 15 19 1 20 16 20 2 21 16 21 1 22 17 22 1 23 17 18 1 24 20 23 1 25 21 24 1 26 21 25 2 27 22 24 2 28 23 26 1 29 23 27 2 30 25 27 1 31 26 28 2 32 26 29 1 33 28 30 1 34 29 31 2 35 30 32 2 36 31 32 1 37 32 33 1 38 33 34 1 39 33 35 1 40 34 36 2 41 35 37 2 42 36 37 1 43 6 38 1 44 7 39 1 45 9 40 1 46 11 41 1 47 18 42 1 48 18 43 1 49 19 44 1 50 19 45 1 51 19 46 1 52 22 47 1 53 25 48 1 54 27 49 1 55 28 50 1 56 29 51 1 57 31 52 1 58 35 53 1 59 36 54 1 60 37 55 1 @SUBSTRUCTURE 1 noname 1