@MOLECULE 293302-14-4 29 31 1 SMALL USER_CHARGES @ATOM 1 C1 -4.5896 -0.7422 -0.0200 C.2 1 noname -0.0560 2 C2 -4.7365 0.6571 0.0885 C.2 1 noname -0.0456 3 C3 -3.6006 1.4868 0.1556 C.2 1 noname -0.0302 4 C4 -2.3338 0.8805 0.1135 C.2 1 noname -0.0003 5 C5 -2.1614 -0.5006 0.0336 C.2 1 noname -0.0124 6 C6 -3.3067 -1.3269 -0.0462 C.2 1 noname -0.0316 7 C7 -0.7952 -0.7901 0.0241 C.2 1 noname 0.0438 8 C8 -0.3042 -2.0574 0.0547 C.2 1 noname -0.0084 9 C9 0.9842 -2.6468 0.0464 C.2 1 noname -0.0559 10 C10 1.0518 -4.0704 -0.0302 C.2 1 noname -0.0382 11 C11 2.2706 -4.7677 -0.1026 C.2 1 noname -0.0289 12 C12 3.4843 -4.0651 -0.1086 C.2 1 noname 0.0008 13 C13 3.4604 -2.6652 0.0057 C.2 1 noname -0.0289 14 C14 2.2346 -1.9785 0.1082 C.2 1 noname -0.0382 15 O1 4.6541 -4.7438 -0.2215 O.3 1 noname -0.2861 16 C15 -0.2081 0.4756 -0.0096 C.2 1 noname 0.0995 17 O2 0.9817 0.8195 -0.1582 O.2 1 noname -0.2755 18 N1 -1.1342 1.4412 0.0960 N.3 1 noname -0.1342 19 H1 -5.4739 -1.3762 -0.0842 H 1 noname 0.0622 20 H2 -5.7322 1.0993 0.1205 H 1 noname 0.0623 21 H3 -3.6994 2.5692 0.2381 H 1 noname 0.0639 22 H4 -3.2012 -2.4087 -0.1275 H 1 noname 0.0629 23 H5 -1.1342 -2.7628 0.0950 H 1 noname 0.0637 24 H6 0.1299 -4.6519 -0.0335 H 1 noname 0.0629 25 H7 2.2747 -5.8565 -0.1543 H 1 noname 0.0650 26 H8 4.3978 -2.1091 0.0149 H 1 noname 0.0650 27 H9 2.2542 -0.8966 0.2394 H 1 noname 0.0629 28 H10 4.9951 -4.9416 0.6539 H 1 noname 0.2181 29 H11 -0.9563 2.4338 0.1533 H 1 noname 0.1374 @BOND 1 1 2 2 2 2 3 1 3 3 4 2 4 4 5 1 5 5 6 2 6 1 6 1 7 5 7 1 8 7 8 2 9 8 9 1 10 9 10 2 11 10 11 1 12 11 12 2 13 12 13 1 14 13 14 2 15 9 14 1 16 12 15 1 17 7 16 1 18 16 17 2 19 16 18 1 20 4 18 1 21 1 19 1 22 2 20 1 23 3 21 1 24 6 22 1 25 8 23 1 26 10 24 1 27 11 25 1 28 13 26 1 29 14 27 1 30 15 28 1 31 18 29 1 @SUBSTRUCTURE 1 noname 1