@MOLECULE 92284502 28 27 1 SMALL USER_CHARGES @ATOM 1 N1 1.2514 0.0346 -3.1396 N.1 1 noname -0.1935 2 N2 -0.7437 -1.2262 2.0654 N.1 1 noname -0.1935 3 C1 0.3138 -1.1020 -1.1075 C.3 1 noname 0.0726 4 C2 0.1939 -0.0896 0.0334 C.3 1 noname 0.0726 5 C3 -1.0692 -1.6696 -1.4332 C.3 1 noname -0.0360 6 C4 -0.7375 1.0480 -0.3901 C.3 1 noname -0.0360 7 C5 1.2452 -2.2396 -0.6841 C.3 1 noname -0.0449 8 C6 1.5769 0.4780 0.3590 C.3 1 noname -0.0449 9 C7 -0.9493 -2.6820 -2.5740 C.3 1 noname -0.0638 10 C8 -0.8574 2.0604 0.7508 C.3 1 noname -0.0638 11 C9 -0.3149 -0.7063 1.1360 C.1 1 noname 0.0663 12 C10 0.8226 -0.4853 -2.2102 C.1 1 noname 0.0663 13 H1 -1.7327 -0.8591 -1.7348 H 1 noname 0.0280 14 H2 -1.4764 -2.1632 -0.5507 H 1 noname 0.0280 15 H3 -1.7228 0.6436 -0.6221 H 1 noname 0.0280 16 H4 -0.3303 1.5416 -1.2725 H 1 noname 0.0280 17 H5 1.3306 -2.9608 -1.4969 H 1 noname 0.0247 18 H6 0.8380 -2.7332 0.1984 H 1 noname 0.0247 19 H7 2.2305 -1.8352 -0.4521 H 1 noname 0.0247 20 H8 1.4915 1.1992 1.1718 H 1 noname 0.0247 21 H9 1.9841 0.9715 -0.5234 H 1 noname 0.0247 22 H10 2.2404 -0.3325 0.6607 H 1 noname 0.0247 23 H11 -1.5209 2.8708 0.4491 H 1 noname 0.0231 24 H12 -1.2646 1.5668 1.6332 H 1 noname 0.0231 25 H13 0.1279 2.4647 0.9828 H 1 noname 0.0231 26 H14 -1.9345 -3.0863 -2.8060 H 1 noname 0.0231 27 H15 -0.5421 -2.1884 -3.4565 H 1 noname 0.0231 28 H16 -0.2857 -3.4924 -2.2724 H 1 noname 0.0231 @BOND 1 1 12 3 2 2 11 3 3 3 4 1 4 3 5 1 5 3 7 1 6 3 12 1 7 4 6 1 8 4 8 1 9 4 11 1 10 5 9 1 11 5 13 1 12 5 14 1 13 6 10 1 14 6 15 1 15 6 16 1 16 7 17 1 17 7 18 1 18 7 19 1 19 8 20 1 20 8 21 1 21 8 22 1 22 9 26 1 23 9 27 1 24 9 28 1 25 10 23 1 26 10 24 1 27 10 25 1 @SUBSTRUCTURE 1 noname 1