@MOLECULE 76965400 32 32 1 SMALL USER_CHARGES @ATOM 1 Se1 2.4763 4.1629 0.0549 Se 1 noname -0.1076 2 O1 1.9127 -0.9520 -0.8761 O.3 1 noname -0.2785 3 O2 -0.5563 3.8305 0.1546 O.3 1 noname -0.2742 4 N1 -1.8816 -2.8186 0.4458 N.3 1 noname -0.3301 5 C1 -0.0815 0.2885 -0.5364 C.2 1 noname -0.0180 6 C2 -0.8795 -0.9201 -0.7208 C.3 1 noname 0.0259 7 C3 1.3044 0.2262 -0.6222 C.2 1 noname -0.0115 8 C4 -0.7078 1.5016 -0.2749 C.2 1 noname -0.0190 9 C5 -1.0825 -1.6083 0.6305 C.3 1 noname -0.0035 10 C6 0.0519 2.6523 -0.0993 C.2 1 noname 0.0039 11 C7 2.0641 1.3769 -0.4466 C.2 1 noname -0.0038 12 C8 1.4379 2.5900 -0.1851 C.2 1 noname 0.0003 13 C9 2.0557 -1.1182 -2.2791 C.3 1 noname 0.0423 14 C10 -0.6993 3.9967 1.5576 C.3 1 noname 0.0423 15 C11 4.2283 3.6831 0.8173 C.3 1 noname -0.0135 16 H1 -1.8488 -0.6546 -1.1426 H 1 noname 0.0330 17 H2 -0.3612 -1.5976 -1.3994 H 1 noname 0.0330 18 H3 -1.7248 1.5474 -0.2119 H 1 noname 0.0654 19 H4 -1.6008 -0.9308 1.3091 H 1 noname 0.0429 20 H5 -0.1131 -1.8738 1.0523 H 1 noname 0.0429 21 H6 3.0812 1.3311 -0.5096 H 1 noname 0.0662 22 H7 -2.0172 -3.2784 1.3484 H 1 noname 0.1184 23 H8 -2.7905 -2.5697 0.0503 H 1 noname 0.1184 24 H9 2.5467 -2.0695 -2.4841 H 1 noname 0.0535 25 H10 1.0718 -1.1087 -2.7482 H 1 noname 0.0535 26 H11 2.6582 -0.3040 -2.6818 H 1 noname 0.0535 27 H12 -1.1904 4.9480 1.7626 H 1 noname 0.0535 28 H13 -1.3018 3.1825 1.9603 H 1 noname 0.0535 29 H14 0.2845 3.9872 2.0267 H 1 noname 0.0535 30 H15 4.8241 4.5854 0.9550 H 1 noname 0.0347 31 H16 4.0837 3.1928 1.7800 H 1 noname 0.0347 32 H17 4.7466 3.0056 0.1387 H 1 noname 0.0347 @BOND 1 1 12 1 2 1 15 1 3 2 7 1 4 2 13 1 5 3 10 1 6 3 14 1 7 4 9 1 8 4 22 1 9 4 23 1 10 5 6 1 11 5 7 1 12 5 8 2 13 6 9 1 14 6 16 1 15 6 17 1 16 7 11 2 17 8 10 1 18 8 18 1 19 9 19 1 20 9 20 1 21 10 12 2 22 11 12 1 23 11 21 1 24 13 24 1 25 13 25 1 26 13 26 1 27 14 27 1 28 14 28 1 29 14 29 1 30 15 30 1 31 15 31 1 32 15 32 1 @SUBSTRUCTURE 1 noname 1