@MOLECULE 101260173 33 33 1 SMALL USER_CHARGES @ATOM 1 F1 3.0311 -2.7229 -2.9702 F 1 noname -0.1661 2 F2 1.6624 -3.4973 -4.5637 F 1 noname -0.1661 3 F3 2.8465 -1.6301 -4.9155 F 1 noname -0.1661 4 O1 -3.0769 -3.9759 1.1428 O.2 1 noname -0.1709 5 N1 -1.9593 -2.1857 1.5093 N.3 1 noname 0.0139 6 N2 -2.0422 -3.4795 1.3436 N.2 1 noname -0.1053 7 C1 -1.0860 -1.6181 0.4833 C.3 1 noname 0.0357 8 C2 -1.6633 -1.9190 -0.9013 C.3 1 noname 0.0169 9 C3 -0.7912 -1.3521 -1.9259 C.2 1 noname -0.0471 10 C4 -0.9889 -0.1035 0.6772 C.3 1 noname -0.0472 11 C5 -1.4076 -1.8982 2.8323 C.3 1 noname 0.0208 12 C6 0.2488 -2.1105 -2.4506 C.2 1 noname -0.0288 13 C7 -1.0009 -0.0541 -2.3766 C.2 1 noname -0.0607 14 C8 1.0790 -1.5708 -3.4261 C.2 1 noname -0.0112 15 C9 -2.3215 -2.4922 3.9060 C.3 1 noname -0.0504 16 C10 -0.1707 0.4856 -3.3520 C.2 1 noname -0.0532 17 C11 0.8693 -0.2728 -3.8768 C.2 1 noname -0.0335 18 C12 2.1714 -2.3674 -3.9773 C.3 1 noname 0.4161 19 H1 -0.0929 -2.0595 0.5667 H 1 noname 0.0489 20 H2 -2.6564 -1.4776 -0.9847 H 1 noname 0.0332 21 H3 -1.7325 -2.9980 -1.0394 H 1 noname 0.0332 22 H4 -0.3378 0.3197 -0.0877 H 1 noname 0.0247 23 H5 -1.9820 0.3379 0.5938 H 1 noname 0.0247 24 H6 -0.5776 0.1109 1.6636 H 1 noname 0.0247 25 H7 -1.3385 -0.8192 2.9705 H 1 noname 0.0449 26 H8 -0.4145 -2.3396 2.9157 H 1 noname 0.0449 27 H9 0.4027 -3.0631 -2.1199 H 1 noname 0.0631 28 H10 -1.7641 0.5024 -1.9915 H 1 noname 0.0625 29 H11 -1.9103 -2.2778 4.8924 H 1 noname 0.0244 30 H12 -3.3147 -2.0508 3.8227 H 1 noname 0.0244 31 H13 -2.3907 -3.5712 3.7679 H 1 noname 0.0244 32 H14 -0.3246 1.4382 -3.6827 H 1 noname 0.0622 33 H15 1.4786 0.1233 -4.5926 H 1 noname 0.0628 @BOND 1 1 18 1 2 2 18 1 3 3 18 1 4 4 6 2 5 5 6 1 6 7 5 1 7 5 11 1 8 7 8 1 9 7 10 1 10 7 19 1 11 8 9 1 12 8 20 1 13 8 21 1 14 9 12 2 15 9 13 1 16 10 22 1 17 10 23 1 18 10 24 1 19 11 15 1 20 11 25 1 21 11 26 1 22 12 14 1 23 12 27 1 24 13 16 2 25 13 28 1 26 14 17 2 27 14 18 1 28 15 29 1 29 15 30 1 30 15 31 1 31 16 17 1 32 16 32 1 33 17 33 1 @SUBSTRUCTURE 1 noname 1