@MOLECULE 76967875 37 38 1 SMALL USER_CHARGES @ATOM 1 F1 2.9383 3.0868 1.9565 F 1 noname -0.1661 2 F2 3.0176 2.7886 -0.2610 F 1 noname -0.1661 3 F3 1.6982 4.3745 0.6087 F 1 noname -0.1661 4 O1 0.6066 -2.1691 0.0508 O.3 1 noname -0.3707 5 N1 2.2641 -3.1965 1.8028 N.3 1 noname -0.2956 6 C1 1.6468 -1.9876 2.3969 C.3 1 noname 0.0292 7 C2 0.5031 -1.6142 1.4008 C.3 1 noname 0.0953 8 C3 3.2878 -3.7159 2.7082 C.3 1 noname 0.0042 9 C4 2.8351 -3.0664 0.4270 C.3 1 noname 0.0222 10 C5 1.9407 -2.2216 -0.5168 C.3 1 noname 0.0603 11 C6 0.2725 -0.1672 1.2005 C.2 1 noname -0.0321 12 C7 2.6465 -4.0775 4.0494 C.3 1 noname -0.0498 13 C8 4.3629 -2.6497 2.9279 C.3 1 noname -0.0498 14 C9 1.3693 0.7706 1.0817 C.2 1 noname -0.0140 15 C10 -1.0878 0.2906 1.0543 C.2 1 noname -0.0460 16 C11 1.1129 2.1550 0.8863 C.2 1 noname -0.0064 17 C12 -1.3613 1.6713 0.8472 C.2 1 noname -0.0486 18 C13 -0.2510 2.5810 0.7802 C.2 1 noname -0.0263 19 C14 2.2084 3.1159 0.7963 C.3 1 noname 0.4161 20 H1 1.2166 -2.2385 3.3665 H 1 noname 0.0461 21 H2 2.3933 -1.1956 2.4564 H 1 noname 0.0461 22 H3 -0.3464 -2.1135 1.8616 H 1 noname 0.0668 23 H4 3.7420 -4.6052 2.2711 H 1 noname 0.0461 24 H5 2.9803 -4.0582 -0.0014 H 1 noname 0.0454 25 H6 3.8199 -2.6018 0.4748 H 1 noname 0.0454 26 H7 1.8998 -2.6944 -1.4981 H 1 noname 0.0580 27 H8 2.3386 -1.2072 -0.5442 H 1 noname 0.0580 28 H9 3.4097 -4.4648 4.7244 H 1 noname 0.0246 29 H10 1.8806 -4.8371 3.8929 H 1 noname 0.0246 30 H11 2.1924 -3.1882 4.4865 H 1 noname 0.0246 31 H12 5.1261 -3.0370 3.6029 H 1 noname 0.0246 32 H13 3.9088 -1.7605 3.3649 H 1 noname 0.0246 33 H14 4.8198 -2.3922 1.9724 H 1 noname 0.0246 34 H15 2.3312 0.4360 1.1385 H 1 noname 0.0632 35 H16 -1.8565 -0.3783 1.0996 H 1 noname 0.0626 36 H17 -2.3197 2.0064 0.7490 H 1 noname 0.0622 37 H18 -0.4424 3.5745 0.6513 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