@MOLECULE 185152 32 35 1 SMALL USER_CHARGES @ATOM 1 F1 4.1371 -4.6557 -0.3887 F 1 noname -0.1561 2 C1 3.4695 -3.5402 -0.3366 C.2 1 noname 0.0483 3 C2 4.1267 -2.3497 -0.0489 C.2 1 noname 0.0553 4 C3 2.0990 -3.5390 -0.5687 C.2 1 noname 0.0083 5 O1 5.4578 -2.3509 0.1764 O.3 1 noname -0.2706 6 C4 3.4135 -1.1579 0.0067 C.2 1 noname 0.0136 7 C5 1.3858 -2.3472 -0.5131 C.2 1 noname -0.0263 8 C6 2.0430 -1.1567 -0.2254 C.2 1 noname -0.0123 9 N1 1.3554 -0.0078 -0.1718 N.3 1 noname -0.1141 10 C7 0.0413 -0.0396 0.2157 C.2 1 noname 0.0113 11 C8 1.9905 1.1619 -0.5066 C.2 1 noname 0.1015 12 C9 -0.7037 1.1820 0.3542 C.2 1 noname -0.0144 13 C10 -0.6302 -1.2577 0.4530 C.2 1 noname 0.0031 14 O2 3.1841 1.1409 -0.8773 O.2 1 noname -0.2762 15 C11 1.2935 2.3933 -0.4323 C.2 1 noname 0.0505 16 C12 -2.0683 1.1558 0.7497 C.2 1 noname 0.0071 17 C13 -0.0497 2.3998 0.0236 C.2 1 noname -0.0032 18 C14 -1.9760 -1.2188 0.8255 C.2 1 noname 0.0716 19 C15 -0.2507 -2.5847 0.3246 C.2 1 noname -0.0272 20 N2 -2.6582 -0.0499 0.9985 N.2 1 noname -0.2509 21 N3 -2.4122 -2.4802 0.9592 N.3 1 noname -0.0341 22 C16 -1.4024 -3.3078 0.6439 C.2 1 noname -0.1119 23 H1 1.5836 -4.4726 -0.7943 H 1 noname 0.0654 24 H2 5.6222 -2.3510 1.1223 H 1 noname 0.2183 25 H3 3.9289 -0.2244 0.2323 H 1 noname 0.0668 26 H4 0.3110 -2.3463 -0.6950 H 1 noname 0.0640 27 H5 1.7839 3.3227 -0.7218 H 1 noname 0.0675 28 H6 -2.6634 2.0620 0.8623 H 1 noname 0.0847 29 H7 -0.5822 3.3459 0.1204 H 1 noname 0.0631 30 H8 0.7278 -2.9706 0.0386 H 1 noname 0.0644 31 H9 -3.3395 -2.7584 1.2471 H 1 noname 0.1537 32 H10 -1.5016 -4.3933 0.6466 H 1 noname 0.0789 @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 6 8 2 8 7 8 1 9 8 9 1 10 9 10 1 11 9 11 1 12 10 12 2 13 10 13 1 14 11 14 2 15 11 15 1 16 12 16 1 17 12 17 1 18 13 18 2 19 13 19 1 20 15 17 2 21 16 20 2 22 18 21 1 23 18 20 1 24 19 22 2 25 21 22 1 26 4 23 1 27 5 24 1 28 6 25 1 29 7 26 1 30 15 27 1 31 16 28 1 32 17 29 1 33 19 30 1 34 21 31 1 35 22 32 1 @SUBSTRUCTURE 1 noname 1