@MOLECULE 136432 42 46 1 SMALL USER_CHARGES @ATOM 1 F1 2.6989 -5.9787 -0.3758 F 1 noname -0.1680 2 C1 1.3915 -5.9915 0.0367 C.3 1 noname 0.4163 3 F2 1.3301 -5.6813 1.3708 F 1 noname -0.1680 4 F3 0.8601 -7.2387 -0.1674 F 1 noname -0.1680 5 C2 0.5923 -4.9580 -0.7655 C.3 1 noname 0.1774 6 O1 0.6492 -5.2717 -2.1599 O.3 1 noname -0.1761 7 C3 -0.8819 -5.0078 -0.3493 C.3 1 noname 0.0507 8 C4 -0.6498 -4.9114 -2.6063 C.2 1 noname 0.1426 9 N1 -1.4666 -5.4259 -1.5635 N.3 1 noname -0.0706 10 O2 -0.9865 -4.3015 -3.6442 O.2 1 noname -0.2287 11 C5 -2.5001 -6.3272 -1.6987 C.2 1 noname 0.0799 12 N2 -2.8289 -7.1666 -0.6540 N.2 1 noname -0.1915 13 C6 -3.2321 -6.4190 -2.9252 C.2 1 noname 0.0213 14 C7 -3.8307 -8.0808 -0.7952 C.2 1 noname 0.0194 15 C8 -4.2550 -7.3740 -3.0397 C.2 1 noname -0.0352 16 N3 -4.5078 -8.1662 -1.9629 N.3 1 noname -0.0588 17 C9 -4.3663 -9.0324 0.0783 C.2 1 noname 0.0611 18 N4 -5.4148 -9.0763 -1.9054 N.2 1 noname -0.2971 19 C10 -3.9741 -9.3119 1.4202 C.2 1 noname -0.0157 20 C11 -5.3814 -9.6398 -0.6873 C.2 1 noname 0.0444 21 C12 -4.6657 -10.3405 2.1528 C.2 1 noname -0.0226 22 C13 -2.8989 -8.5584 1.9898 C.2 1 noname -0.0226 23 C14 -4.2670 -10.6405 3.4661 C.2 1 noname -0.0105 24 C15 -2.4878 -8.8470 3.2959 C.2 1 noname -0.0105 25 C16 -3.1831 -9.8796 4.0011 C.2 1 noname -0.0068 26 C17 -2.8846 -9.9707 5.3699 C.2 1 noname 0.0894 27 N5 -1.7968 -9.4250 5.9541 N.2 1 noname -0.2830 28 N6 -3.7704 -10.3470 6.3078 N.2 1 noname -0.1855 29 N7 -2.0939 -9.2757 7.1950 N.3 1 noname -0.0100 30 C18 -3.2898 -9.8264 7.4418 C.2 1 noname -0.0112 31 H1 1.0304 -3.9677 -0.6408 H 1 noname 0.0720 32 H2 -1.0340 -5.8032 0.3803 H 1 noname 0.0472 33 H3 -1.2419 -4.0004 -0.1404 H 1 noname 0.0472 34 H4 -3.0115 -5.7644 -3.7685 H 1 noname 0.0670 35 H5 -4.8428 -7.4983 -3.9492 H 1 noname 0.0815 36 H6 -6.0528 -10.4407 -0.3778 H 1 noname 0.0864 37 H7 -5.4945 -10.8941 1.7114 H 1 noname 0.0629 38 H8 -2.3958 -7.7687 1.4318 H 1 noname 0.0629 39 H9 -4.7703 -11.4201 4.0380 H 1 noname 0.0630 40 H10 -1.6631 -8.2925 3.7438 H 1 noname 0.0630 41 H11 -1.4936 -8.8080 7.8591 H 1 noname 0.1766 42 H12 -3.7911 -9.8476 8.4095 H 1 noname 0.1028 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 5 2 1 5 5 6 1 6 5 7 1 7 6 8 1 8 7 9 1 9 8 10 2 10 8 9 1 11 9 11 1 12 11 12 2 13 11 13 1 14 12 14 1 15 13 15 2 16 14 16 1 17 14 17 2 18 15 16 1 19 16 18 1 20 17 19 1 21 17 20 1 22 18 20 2 23 19 21 2 24 19 22 1 25 21 23 1 26 22 24 2 27 23 25 2 28 24 25 1 29 25 26 1 30 26 27 2 31 26 28 1 32 27 29 1 33 28 30 2 34 29 30 1 35 5 31 1 36 7 32 1 37 7 33 1 38 13 34 1 39 15 35 1 40 20 36 1 41 21 37 1 42 22 38 1 43 23 39 1 44 24 40 1 45 29 41 1 46 30 42 1 @SUBSTRUCTURE 1 noname 1