@MOLECULE 101260171 33 33 1 SMALL USER_CHARGES @ATOM 1 F1 1.2585 1.4290 -3.3949 F 1 noname -0.1661 2 F2 -0.4307 1.1165 -4.8308 F 1 noname -0.1661 3 F3 0.0103 3.1682 -4.0505 F 1 noname -0.1661 4 O1 -3.2640 -3.7816 1.1254 O.2 1 noname -0.1709 5 N1 -1.3222 -2.8785 1.0821 N.3 1 noname 0.0139 6 N2 -2.5304 -2.9919 1.5675 N.2 1 noname -0.1053 7 C1 -1.1307 -1.5254 0.5625 C.3 1 noname 0.0357 8 C2 -2.1523 -1.2548 -0.5439 C.3 1 noname 0.0169 9 C3 -1.9611 0.0964 -1.0629 C.2 1 noname -0.0471 10 C4 0.2837 -1.3927 -0.0057 C.3 1 noname -0.0472 11 C5 -0.3460 -3.1371 2.1394 C.3 1 noname 0.0208 12 C6 -1.0959 0.3157 -2.1284 C.2 1 noname -0.0288 13 C7 -2.6443 1.1635 -0.4914 C.2 1 noname -0.0607 14 C8 -0.9139 1.6021 -2.6225 C.2 1 noname -0.0112 15 C9 -0.5463 -4.5531 2.6832 C.3 1 noname -0.0504 16 C10 -2.4623 2.4499 -0.9855 C.2 1 noname -0.0532 17 C11 -1.5971 2.6692 -2.0510 C.2 1 noname -0.0335 18 C12 -0.0051 1.8325 -3.7417 C.3 1 noname 0.4161 19 H1 -1.2679 -0.8041 1.3680 H 1 noname 0.0489 20 H2 -3.1599 -1.3494 -0.1392 H 1 noname 0.0332 21 H3 -2.0151 -1.9762 -1.3495 H 1 noname 0.0332 22 H4 0.4264 -0.3839 -0.3931 H 1 noname 0.0247 23 H5 0.4208 -2.1141 -0.8112 H 1 noname 0.0247 24 H6 1.0114 -1.5855 0.7825 H 1 noname 0.0247 25 H7 -0.4832 -2.4157 2.9449 H 1 noname 0.0449 26 H8 0.6616 -3.0426 1.7346 H 1 noname 0.0449 27 H9 -0.5945 -0.4673 -2.5478 H 1 noname 0.0631 28 H10 -3.2792 1.0026 0.2905 H 1 noname 0.0625 29 H11 0.1814 -4.7459 3.4714 H 1 noname 0.0244 30 H12 -1.5540 -4.6477 3.0880 H 1 noname 0.0244 31 H13 -0.4092 -5.2745 1.8776 H 1 noname 0.0244 32 H14 -2.9636 3.2330 -0.5661 H 1 noname 0.0622 33 H15 -1.4635 3.6132 -2.4136 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