@MOLECULE 76969854 33 34 1 SMALL USER_CHARGES @ATOM 1 O1 -1.8268 0.0140 -2.9334 O.2 1 noname -0.2795 2 N1 -0.6297 -0.9680 -1.2320 N.3 1 noname -0.1363 3 C1 -1.4476 -1.8995 -0.4340 C.3 1 noname 0.0115 4 C2 -1.5235 -3.3850 -0.8388 C.3 1 noname -0.0360 5 C3 0.4419 -0.1155 -0.7535 C.2 1 noname -0.0353 6 C4 -2.2186 -3.6476 -2.1769 C.3 1 noname -0.0333 7 C5 1.0056 -0.2025 0.5859 C.2 1 noname -0.0347 8 C6 1.0768 0.9126 -1.5874 C.2 1 noname -0.0347 9 C7 -1.1389 -0.9438 -2.5146 C.2 1 noname 0.0899 10 C8 -1.3436 -3.2270 -3.2602 C.2 1 noname -0.0383 11 C9 -0.8869 -1.9711 -3.4126 C.2 1 noname 0.0335 12 C10 1.9870 0.7066 1.0505 C.2 1 noname -0.0698 13 C11 2.0585 1.8032 -1.0511 C.2 1 noname -0.0698 14 C12 0.7838 -1.1459 1.7058 C.3 1 noname 0.0056 15 C13 0.8871 1.1825 -3.0369 C.3 1 noname 0.0056 16 C14 2.4951 1.7045 0.2542 C.2 1 noname -0.0650 17 H1 -2.4527 -1.4805 -0.2830 H 1 noname 0.0440 18 H2 -1.0760 -2.1013 0.5483 H 1 noname 0.0440 19 H3 -2.0769 -3.9412 -0.0784 H 1 noname 0.0283 20 H4 -0.5305 -3.8311 -0.8413 H 1 noname 0.0283 21 H5 -3.1751 -3.1150 -2.2025 H 1 noname 0.0310 22 H6 -2.4382 -4.7223 -2.2539 H 1 noname 0.0310 23 H7 -1.0371 -3.9216 -3.9173 H 1 noname 0.0577 24 H8 -0.3046 -1.7572 -4.2044 H 1 noname 0.0671 25 H9 2.3876 0.6966 2.0031 H 1 noname 0.0625 26 H10 2.5190 2.5559 -1.5701 H 1 noname 0.0625 27 H11 -0.1832 -0.9994 2.1750 H 1 noname 0.0280 28 H12 0.8583 -2.1695 1.3387 H 1 noname 0.0280 29 H13 1.5136 -0.9363 2.4878 H 1 noname 0.0280 30 H14 0.5168 2.1988 -3.1718 H 1 noname 0.0280 31 H15 0.1658 0.4756 -3.4468 H 1 noname 0.0280 32 H16 1.8397 1.0712 -3.5549 H 1 noname 0.0280 33 H17 3.1968 2.3547 0.6195 H 1 noname 0.0622 @BOND 1 1 9 2 2 2 3 1 3 2 5 1 4 2 9 1 5 3 4 1 6 3 17 1 7 3 18 1 8 4 6 1 9 4 19 1 10 4 20 1 11 5 7 2 12 5 8 1 13 6 10 1 14 6 21 1 15 6 22 1 16 7 12 1 17 7 14 1 18 8 13 2 19 8 15 1 20 9 11 1 21 10 11 2 22 10 23 1 23 11 24 1 24 12 16 2 25 12 25 1 26 13 16 1 27 13 26 1 28 14 27 1 29 14 28 1 30 14 29 1 31 15 30 1 32 15 31 1 33 15 32 1 34 16 33 1 @SUBSTRUCTURE 1 noname 1