@MOLECULE 58079280 49 52 1 SMALL USER_CHARGES @ATOM 1 F1 -4.7915 7.9647 3.0078 F 1 noname -0.2030 2 F2 -2.9057 8.1883 4.1935 F 1 noname -0.2030 3 O1 -3.3708 4.8495 2.4599 O.2 1 noname -0.2727 4 N1 -1.5999 4.1229 1.1657 N.3 1 noname -0.1369 5 N2 -1.7628 8.3590 0.2503 N.3 1 noname 0.0192 6 N3 -2.4702 8.6675 1.2968 N.2 1 noname -0.2582 7 C1 0.9869 0.9710 -0.5731 C.3 1 noname -0.0252 8 C2 0.7186 2.3772 0.0511 C.3 1 noname 0.0233 9 C3 1.1436 0.3313 0.8413 C.3 1 noname 0.0168 10 C4 2.0673 2.5882 0.8356 C.3 1 noname -0.0454 11 C5 2.3540 1.1557 1.4026 C.3 1 noname -0.0455 12 C6 -0.3709 2.0851 1.0612 C.2 1 noname -0.0319 13 C7 -0.0684 0.8061 1.5844 C.2 1 noname -0.0504 14 C8 -0.0942 0.3916 -1.5229 C.3 1 noname -0.0431 15 C9 -1.4181 2.8582 1.6345 C.2 1 noname -0.0258 16 C10 -0.7516 0.2700 2.7080 C.2 1 noname -0.0637 17 C11 -0.2844 1.3333 -2.7137 C.3 1 noname -0.0625 18 C12 0.3523 -0.9827 -2.0258 C.3 1 noname -0.0625 19 C13 -2.1244 2.2974 2.7522 C.2 1 noname -0.0435 20 C14 -1.7955 1.0355 3.3033 C.2 1 noname -0.0623 21 C15 -2.4389 5.1320 1.6762 C.2 1 noname 0.1081 22 C16 -2.1996 6.5146 1.2726 C.2 1 noname 0.0626 23 C17 -2.7641 7.5566 1.9739 C.2 1 noname 0.0800 24 C18 -1.5529 7.0420 0.1780 C.2 1 noname -0.0158 25 C19 -3.5318 7.4638 3.2123 C.3 1 noname 0.2823 26 C20 -1.2795 9.2945 -0.6875 C.3 1 noname -0.0292 27 H1 1.9012 0.9114 -1.1870 H 1 noname 0.0318 28 H2 0.5063 3.1763 -0.6743 H 1 noname 0.0356 29 H3 1.2696 -0.7590 0.8570 H 1 noname 0.0355 30 H4 1.9027 3.2797 1.6619 H 1 noname 0.0273 31 H5 2.8577 2.8779 0.1432 H 1 noname 0.0273 32 H6 2.3040 1.1791 2.4912 H 1 noname 0.0273 33 H7 3.2447 0.7308 0.9397 H 1 noname 0.0273 34 H8 -1.0363 0.2927 -0.9838 H 1 noname 0.0300 35 H9 -0.4999 -0.6452 3.0816 H 1 noname 0.0625 36 H10 -1.0440 0.9262 -3.3811 H 1 noname 0.0233 37 H11 -0.6025 2.3123 -2.3555 H 1 noname 0.0233 38 H12 0.6577 1.4322 -3.2529 H 1 noname 0.0233 39 H13 -0.4072 -1.3898 -2.6932 H 1 noname 0.0233 40 H14 0.4879 -1.6536 -1.1775 H 1 noname 0.0233 41 H15 1.2945 -0.8838 -2.5650 H 1 noname 0.0233 42 H16 -2.8918 2.8281 3.1643 H 1 noname 0.0639 43 H17 -2.2991 0.6792 4.1156 H 1 noname 0.0623 44 H18 -1.0851 4.3596 0.3784 H 1 noname 0.1374 45 H19 -1.0269 6.5361 -0.5346 H 1 noname 0.0817 46 H20 -3.6012 6.4203 3.5195 H 1 noname 0.1108 47 H21 -2.1190 9.8236 -1.1386 H 1 noname 0.0453 48 H22 -0.7186 8.7741 -1.4638 H 1 noname 0.0453 49 H23 -0.6274 10.0089 -0.1851 H 1 noname 0.0453 @BOND 1 1 25 1 2 2 25 1 3 3 21 2 4 4 15 1 5 4 21 1 6 4 44 1 7 5 6 1 8 5 24 1 9 5 26 1 10 6 23 2 11 7 8 1 12 7 9 1 13 7 14 1 14 7 27 1 15 8 10 1 16 8 12 1 17 8 28 1 18 9 11 1 19 9 13 1 20 9 29 1 21 10 11 1 22 10 30 1 23 10 31 1 24 11 32 1 25 11 33 1 26 12 13 2 27 12 15 1 28 13 16 1 29 14 17 1 30 14 18 1 31 14 34 1 32 15 19 2 33 16 20 2 34 16 35 1 35 17 36 1 36 17 37 1 37 17 38 1 38 18 39 1 39 18 40 1 40 18 41 1 41 19 20 1 42 19 42 1 43 20 43 1 44 21 22 1 45 22 23 1 46 22 24 2 47 23 25 1 48 24 45 1 49 25 46 1 50 26 47 1 51 26 48 1 52 26 49 1 @SUBSTRUCTURE 1 noname 1