@MOLECULE 76959708 30 32 1 SMALL USER_CHARGES @ATOM 1 O1 -3.0562 1.9977 0.0289 O.3 1 noname -0.2184 2 O2 -2.7679 -0.1698 -0.5108 O.2 1 noname -0.2587 3 N1 1.8974 1.3865 -0.0566 N.2 1 noname -0.2188 4 C1 -0.0703 -0.0299 0.1865 C.2 1 noname 0.0318 5 C2 1.3698 0.1618 0.2415 C.2 1 noname 0.0429 6 C3 1.1244 2.4563 -0.4238 C.2 1 noname 0.0270 7 C4 -0.8791 1.0769 -0.1790 C.2 1 noname 0.0203 8 C5 -0.2840 2.3250 -0.4944 C.2 1 noname 0.0261 9 C6 1.7236 3.6732 -0.7276 C.2 1 noname -0.0301 10 C7 -0.6506 -1.2918 0.4953 C.2 1 noname -0.0259 11 C8 2.2334 -0.9108 0.6028 C.2 1 noname -0.0105 12 C9 0.2248 -2.3516 0.8616 C.2 1 noname -0.0538 13 C10 1.6369 -2.1665 0.9142 C.2 1 noname -0.0455 14 C11 3.0051 3.7018 -1.2652 C.2 1 noname -0.0344 15 C12 1.0412 4.8614 -0.4939 C.2 1 noname -0.0344 16 C13 -2.2612 0.9374 -0.2283 C.2 1 noname 0.0896 17 C14 3.6043 4.9187 -1.5690 C.2 1 noname -0.0534 18 C15 1.6404 6.0783 -0.7977 C.2 1 noname -0.0534 19 C16 2.9220 6.1069 -1.3353 C.2 1 noname -0.0521 20 H1 -0.8633 3.1184 -0.7688 H 1 noname 0.0654 21 H2 -1.6602 -1.4317 0.4555 H 1 noname 0.0629 22 H3 3.2449 -0.7845 0.6376 H 1 noname 0.0645 23 H4 -0.1670 -3.2648 1.0917 H 1 noname 0.0622 24 H5 2.2334 -2.9499 1.1805 H 1 noname 0.0623 25 H6 3.5058 2.8299 -1.4367 H 1 noname 0.0629 26 H7 0.1008 4.8404 -0.0994 H 1 noname 0.0629 27 H8 4.5447 4.9397 -1.9635 H 1 noname 0.0622 28 H9 1.1397 6.9502 -0.6262 H 1 noname 0.0622 29 H10 3.3616 6.9999 -1.5582 H 1 noname 0.0622 30 H11 -3.9345 2.0672 -0.4003 H 1 noname 0.2216 @BOND 1 1 16 1 2 1 30 1 3 2 16 2 4 3 5 1 5 3 6 2 6 4 5 1 7 4 7 1 8 4 10 2 9 5 11 2 10 6 8 1 11 6 9 1 12 7 8 2 13 7 16 1 14 8 20 1 15 9 14 2 16 9 15 1 17 10 12 1 18 10 21 1 19 11 13 1 20 11 22 1 21 12 13 2 22 12 23 1 23 13 24 1 24 14 17 1 25 14 25 1 26 15 18 2 27 15 26 1 28 17 19 2 29 17 27 1 30 18 19 1 31 18 28 1 32 19 29 1 @SUBSTRUCTURE 1 noname 1