@MOLECULE 125367 41 43 1 SMALL USER_CHARGES @ATOM 1 F1 5.6176 -4.7950 0.1002 F 1 noname -0.1465 2 C1 4.4089 -4.3215 0.0141 C.2 1 noname 0.0783 3 C2 3.2852 -5.1455 -0.2970 C.2 1 noname 0.0787 4 C3 4.1106 -2.9357 0.2247 C.2 1 noname 0.0228 5 O1 3.4742 -6.4649 -0.5111 O.3 1 noname -0.2346 6 N1 2.0123 -4.6252 -0.3837 N.2 1 noname -0.2146 7 C4 2.7827 -2.3893 0.1348 C.2 1 noname 0.0044 8 C5 3.3542 -7.1658 0.7180 C.3 1 noname 0.0441 9 C6 1.7491 -3.2973 -0.1787 C.2 1 noname 0.0025 10 N2 2.5587 -1.0543 0.3468 N.3 1 noname 0.0153 11 C7 1.6219 -0.0297 0.4002 C.2 1 noname 0.0595 12 N3 2.3978 1.0565 0.7095 N.2 1 noname -0.2588 13 C8 0.1875 0.1875 0.2350 C.2 1 noname -0.0031 14 C9 1.9370 2.3307 0.8765 C.2 1 noname 0.0104 15 C10 -0.8859 -0.7028 -0.0810 C.2 1 noname 0.0826 16 C11 -0.2650 1.5371 0.4169 C.2 1 noname -0.0083 17 C12 0.5674 2.6170 0.7331 C.2 1 noname -0.0504 18 C13 2.8717 3.4028 1.2059 C.3 1 noname 0.0338 19 N4 -2.1841 -0.2457 -0.1829 N.2 1 noname -0.2183 20 N5 -0.6789 -2.0245 -0.2929 N.2 1 noname -0.2397 21 C14 -3.2181 -1.0664 -0.4806 C.2 1 noname 0.0963 22 C15 -1.6906 -2.8822 -0.5942 C.2 1 noname 0.0685 23 N6 -2.9507 -2.3839 -0.6831 N.2 1 noname -0.2286 24 N7 -4.4688 -0.5943 -0.5729 N.3 1 noname -0.0772 25 C16 -1.4288 -4.3012 -0.8160 C.3 1 noname 0.0696 26 H1 4.9346 -2.2639 0.4651 H 1 noname 0.0672 27 H2 3.3727 -8.2389 0.5277 H 1 noname 0.0535 28 H3 4.1846 -6.8983 1.3714 H 1 noname 0.0535 29 H4 2.4130 -6.8983 1.1985 H 1 noname 0.0535 30 H5 0.7153 -2.9626 -0.2652 H 1 noname 0.0857 31 H6 3.4661 -0.6592 0.5486 H 1 noname 0.1358 32 H7 -1.3262 1.7598 0.3060 H 1 noname 0.0632 33 H8 0.1712 3.6244 0.8606 H 1 noname 0.0641 34 H9 2.9520 3.4948 2.2890 H 1 noname 0.0295 35 H10 3.8513 3.1722 0.7872 H 1 noname 0.0295 36 H11 2.5097 4.3418 0.7872 H 1 noname 0.0295 37 H12 -4.6312 0.4020 -0.6078 H 1 noname 0.1273 38 H13 -5.2490 -1.2347 -0.6078 H 1 noname 0.1273 39 H14 -1.3353 -4.8080 0.1445 H 1 noname 0.0312 40 H15 -2.2530 -4.7391 -1.3791 H 1 noname 0.0312 41 H16 -0.5026 -4.4161 -1.3791 H 1 noname 0.0312 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 1 8 6 9 2 9 7 10 1 10 7 9 1 11 10 11 1 12 11 12 2 13 11 13 1 14 12 14 1 15 13 15 1 16 13 16 2 17 14 17 2 18 14 18 1 19 15 19 2 20 15 20 1 21 16 17 1 22 19 21 1 23 20 22 2 24 21 23 2 25 21 24 1 26 22 25 1 27 22 23 1 28 4 26 1 29 8 27 1 30 8 28 1 31 8 29 1 32 9 30 1 33 10 31 1 34 16 32 1 35 17 33 1 36 18 34 1 37 18 35 1 38 18 36 1 39 24 37 1 40 24 38 1 41 25 39 1 42 25 40 1 43 25 41 1 @SUBSTRUCTURE 1 noname 1