@MOLECULE 76972606 31 32 1 SMALL USER_CHARGES @ATOM 1 O1 0.0873 0.4188 -1.7853 O.3 1 noname -0.3874 2 N1 1.8996 2.6149 -2.3487 N.3 1 noname -0.3252 3 C1 0.6335 1.2468 -0.7692 C.3 1 noname 0.0879 4 C2 0.7471 0.4040 0.5184 C.3 1 noname 0.0247 5 C3 -0.3504 2.4056 -0.5038 C.3 1 noname 0.0247 6 C4 2.0072 1.8164 -1.1288 C.3 1 noname 0.0336 7 C5 -0.4646 0.7860 1.2337 C.2 1 noname -0.0552 8 C6 -1.0832 1.9162 0.6577 C.2 1 noname -0.0552 9 C7 2.9920 0.6678 -1.3563 C.3 1 noname -0.0380 10 C8 -0.9934 0.1488 2.3888 C.2 1 noname -0.0617 11 C9 -2.2700 2.4790 1.1996 C.2 1 noname -0.0617 12 C10 4.3657 1.2374 -1.7159 C.3 1 noname -0.0638 13 C11 -2.2196 0.6685 2.9096 C.2 1 noname -0.0668 14 C12 -2.8459 1.8127 2.3263 C.2 1 noname -0.0668 15 H1 0.7007 -0.6551 0.2647 H 1 noname 0.0346 16 H2 1.6186 0.6087 1.1402 H 1 noname 0.0346 17 H3 -1.0322 2.5039 -1.3486 H 1 noname 0.0346 18 H4 0.1063 3.3671 -0.2694 H 1 noname 0.0346 19 H5 2.3646 2.4452 -0.3133 H 1 noname 0.0492 20 H6 2.6346 0.0390 -2.1718 H 1 noname 0.0280 21 H7 3.0722 0.0724 -0.4468 H 1 noname 0.0280 22 H8 0.0048 0.9324 -2.6159 H 1 noname 0.2109 23 H9 1.2418 3.3822 -2.1967 H 1 noname 0.1187 24 H10 1.5645 2.0254 -3.1133 H 1 noname 0.1187 25 H11 -0.5204 -0.6421 2.8259 H 1 noname 0.0625 26 H12 -2.6916 3.3192 0.8035 H 1 noname 0.0625 27 H13 5.0673 0.4191 -1.8780 H 1 noname 0.0231 28 H14 4.2855 1.8327 -2.6254 H 1 noname 0.0231 29 H15 4.7231 1.8662 -0.9004 H 1 noname 0.0231 30 H16 -2.6551 0.2141 3.7122 H 1 noname 0.0622 31 H17 -3.7198 2.1606 2.7209 H 1 noname 0.0622 @BOND 1 1 3 1 2 1 22 1 3 6 2 1 4 2 23 1 5 2 24 1 6 3 4 1 7 3 5 1 8 3 6 1 9 4 7 1 10 4 15 1 11 4 16 1 12 5 8 1 13 5 17 1 14 5 18 1 15 6 9 1 16 6 19 1 17 7 8 1 18 7 10 2 19 8 11 2 20 9 12 1 21 9 20 1 22 9 21 1 23 10 13 1 24 10 25 1 25 11 14 1 26 11 26 1 27 12 27 1 28 12 28 1 29 12 29 1 30 13 14 2 31 13 30 1 32 14 31 1 @SUBSTRUCTURE 1 noname 1