@MOLECULE 76969666 37 38 1 SMALL USER_CHARGES @ATOM 1 F1 2.0406 4.1718 0.0679 F 1 noname -0.1661 2 F2 0.7752 3.9432 -1.7648 F 1 noname -0.1661 3 F3 -0.0593 4.9483 0.0534 F 1 noname -0.1661 4 O1 0.6220 -1.4792 -1.3674 O.3 1 noname -0.3707 5 N1 1.2288 -3.4295 0.2809 N.3 1 noname -0.2956 6 C1 1.3676 -2.1389 0.9931 C.3 1 noname 0.0292 7 C2 1.2258 -1.0436 -0.1096 C.3 1 noname 0.0953 8 C3 1.4365 -4.5297 1.2211 C.3 1 noname 0.0042 9 C4 -0.0315 -3.6587 -0.4818 C.3 1 noname 0.0222 10 C5 -0.4844 -2.4106 -1.2763 C.3 1 noname 0.0603 11 C6 0.4924 0.1987 0.2775 C.2 1 noname -0.0321 12 C7 2.8392 -4.4279 1.8235 C.3 1 noname -0.0498 13 C8 0.3944 -4.4491 2.3385 C.3 1 noname -0.0498 14 C9 0.9767 1.4510 -0.2255 C.2 1 noname -0.0140 15 C10 -0.7157 0.1393 1.0645 C.2 1 noname -0.0460 16 C11 0.2890 2.6630 0.0981 C.2 1 noname -0.0064 17 C12 -1.4053 1.3418 1.4031 C.2 1 noname -0.0486 18 C13 -0.8770 2.5794 0.9137 C.2 1 noname -0.0263 19 C14 0.7687 3.9512 -0.3938 C.3 1 noname 0.4161 20 H1 0.5584 -2.0338 1.7157 H 1 noname 0.0461 21 H2 2.3103 -2.0579 1.5342 H 1 noname 0.0461 22 H3 2.2797 -0.8386 -0.3416 H 1 noname 0.0668 23 H4 1.3343 -5.4798 0.6968 H 1 noname 0.0461 24 H5 -0.8226 -3.9587 0.2054 H 1 noname 0.0454 25 H6 0.1491 -4.5087 -1.1398 H 1 noname 0.0454 26 H7 -1.3184 -1.9346 -0.7607 H 1 noname 0.0580 27 H8 -0.8461 -2.6952 -2.2643 H 1 noname 0.0580 28 H9 2.9940 -5.2481 2.5244 H 1 noname 0.0246 29 H10 2.9414 -3.4777 2.3478 H 1 noname 0.0246 30 H11 3.5815 -4.4852 1.0274 H 1 noname 0.0246 31 H12 0.5492 -5.2694 3.0394 H 1 noname 0.0246 32 H13 -0.6049 -4.5217 1.9093 H 1 noname 0.0246 33 H14 0.4966 -3.4990 2.8628 H 1 noname 0.0246 34 H15 1.8101 1.4778 -0.8130 H 1 noname 0.0632 35 H16 -1.0764 -0.7616 1.3786 H 1 noname 0.0626 36 H17 -2.2488 1.3205 1.9762 H 1 noname 0.0622 37 H18 -1.3589 3.4438 1.1608 H 1 noname 0.0628 @BOND 1 1 19 1 2 2 19 1 3 3 19 1 4 4 7 1 5 4 10 1 6 5 6 1 7 5 8 1 8 5 9 1 9 6 7 1 10 6 20 1 11 6 21 1 12 7 11 1 13 7 22 1 14 8 12 1 15 8 13 1 16 8 23 1 17 9 10 1 18 9 24 1 19 9 25 1 20 10 26 1 21 10 27 1 22 11 14 2 23 11 15 1 24 12 28 1 25 12 29 1 26 12 30 1 27 13 31 1 28 13 32 1 29 13 33 1 30 14 16 1 31 14 34 1 32 15 17 2 33 15 35 1 34 16 18 2 35 16 19 1 36 17 18 1 37 17 36 1 38 18 37 1 @SUBSTRUCTURE 1 noname 1