@MOLECULE 71586787 41 43 1 SMALL USER_CHARGES @ATOM 1 F1 4.7197 0.9030 -0.3387 F 1 noname -0.1655 2 N1 -1.6584 -1.3592 -0.5849 N.3 1 noname -0.0893 3 N2 -0.5926 -1.8461 1.5164 N.2 1 noname -0.2065 4 N3 -2.4859 -2.8915 0.9496 N.2 1 noname -0.2084 5 N4 -3.7296 -2.7057 -0.7547 N.3 1 noname -0.1254 6 N5 -1.4896 -3.3988 2.8820 N.3 1 noname -0.0994 7 C1 -0.6196 -0.9883 0.3967 C.3 1 noname 0.1370 8 C2 -1.8052 -0.4945 -1.7377 C.3 1 noname 0.0119 9 C3 -2.6228 -0.8650 -2.9926 C.3 1 noname 0.0134 10 C4 0.7811 -0.5003 0.0509 C.2 1 noname -0.0403 11 C5 -2.6004 -2.3021 -0.1778 C.2 1 noname -0.1048 12 C6 -2.9172 0.2877 -3.8925 C.2 1 noname -0.0569 13 C7 1.3525 0.4648 0.9277 C.2 1 noname -0.0294 14 C8 1.6074 -0.9081 -1.0415 C.2 1 noname -0.0294 15 C9 -1.5026 -2.7250 1.7582 C.2 1 noname -0.0085 16 C10 -3.7846 0.0276 -4.9809 C.2 1 noname -0.0636 17 C11 -2.4640 1.6224 -3.6960 C.2 1 noname -0.0636 18 C12 2.6679 0.9442 0.7996 C.2 1 noname -0.0042 19 C13 2.9373 -0.4269 -1.1804 C.2 1 noname -0.0042 20 C14 3.4791 0.4847 -0.2493 C.2 1 noname 0.0236 21 C15 -4.1659 1.0545 -5.8566 C.2 1 noname -0.0630 22 C16 -2.8313 2.6537 -4.5716 C.2 1 noname -0.0630 23 C17 -3.6779 2.3641 -5.6562 C.2 1 noname -0.0683 24 H1 -1.0847 -0.0980 0.8306 H 1 noname 0.0783 25 H2 -2.2999 0.3948 -1.3289 H 1 noname 0.0439 26 H3 -0.8269 -0.1858 -2.1181 H 1 noname 0.0439 27 H4 -3.6100 -1.1834 -2.6865 H 1 noname 0.0329 28 H5 -2.2206 -1.7200 -3.5361 H 1 noname 0.0329 29 H6 0.8123 0.8434 1.7051 H 1 noname 0.0627 30 H7 1.2624 -1.5598 -1.7502 H 1 noname 0.0627 31 H8 -4.1718 -0.9138 -5.1373 H 1 noname 0.0625 32 H9 -1.8703 1.8856 -2.9068 H 1 noname 0.0625 33 H10 -4.1518 -3.3814 -0.2014 H 1 noname 0.1268 34 H11 -4.3291 -1.9498 -0.8558 H 1 noname 0.1268 35 H12 3.0284 1.6220 1.4810 H 1 noname 0.0653 36 H13 3.5271 -0.7407 -1.9590 H 1 noname 0.0653 37 H14 -4.8162 0.8404 -6.6228 H 1 noname 0.0622 38 H15 -2.5175 3.6170 -4.4012 H 1 noname 0.0622 39 H16 -3.9565 3.1123 -6.2969 H 1 noname 0.0622 40 H17 -0.7325 -3.1172 3.4190 H 1 noname 0.1273 41 H18 -2.3116 -3.2313 3.3689 H 1 noname 0.1273 @BOND 1 1 20 1 2 2 7 1 3 2 8 1 4 2 11 1 5 3 7 1 6 3 15 2 7 4 11 2 8 4 15 1 9 5 11 1 10 5 33 1 11 5 34 1 12 6 15 1 13 6 40 1 14 6 41 1 15 7 10 1 16 7 24 1 17 8 9 1 18 8 25 1 19 8 26 1 20 9 12 1 21 9 27 1 22 9 28 1 23 10 13 2 24 10 14 1 25 12 16 2 26 12 17 1 27 13 18 1 28 13 29 1 29 14 19 2 30 14 30 1 31 16 21 1 32 16 31 1 33 17 22 2 34 17 32 1 35 18 20 2 36 18 35 1 37 19 20 1 38 19 36 1 39 21 23 2 40 21 37 1 41 22 23 1 42 22 38 1 43 23 39 1 @SUBSTRUCTURE 1 noname 1