@MOLECULE DB03372 34 36 1 SMALL USER_CHARGES @ATOM 1 S1 5.8341 1.0347 4.5337 S.3 1 noname -0.1787 2 C1 5.0842 0.6477 2.9438 C.3 1 noname -0.0015 3 C2 5.7156 1.5196 1.8565 C.3 1 noname 0.0302 4 C3 5.1074 1.2057 0.5668 C.2 1 noname 0.0440 5 O1 5.6004 0.3130 -0.1560 O.2 1 noname -0.2947 6 N1 4.0208 1.8748 0.1580 N.3 1 noname -0.0657 7 C4 3.0033 1.2326 -0.7311 C.3 1 noname 0.0443 8 C5 3.7791 3.2971 0.5754 C.3 1 noname 0.0103 9 C6 1.6884 1.4008 -0.0794 C.2 1 noname -0.0909 10 C7 2.2995 3.7535 0.7551 C.3 1 noname -0.0123 11 N2 0.6771 0.5096 0.0358 N.3 1 noname -0.0681 12 C8 1.3789 2.5893 0.6029 C.2 1 noname -0.0224 13 C9 -0.2796 1.0938 0.7881 C.2 1 noname -0.0865 14 C10 0.0911 2.4267 1.1017 C.2 1 noname -0.0297 15 C11 -1.5081 0.5447 1.2676 C.2 1 noname -0.0438 16 C12 -0.7540 3.3158 1.8253 C.2 1 noname -0.0395 17 C13 -2.3592 1.4268 1.9889 C.2 1 noname -0.0511 18 C14 -1.9988 2.7741 2.2547 C.2 1 noname -0.0540 19 H1 6.1315 -0.0862 5.1644 H 1 noname 0.1022 20 H2 5.3522 -0.3681 2.6533 H 1 noname 0.0382 21 H3 4.0384 0.9546 2.9510 H 1 noname 0.0382 22 H4 5.4499 2.5551 2.0692 H 1 noname 0.0369 23 H5 6.7636 1.2323 1.7715 H 1 noname 0.0369 24 H6 2.9749 1.8014 -1.6605 H 1 noname 0.0499 25 H7 3.2154 0.1636 -0.7527 H 1 noname 0.0499 26 H8 4.2335 3.3675 1.5637 H 1 noname 0.0439 27 H9 4.1744 3.8896 -0.2497 H 1 noname 0.0439 28 H10 2.1854 4.0903 1.7854 H 1 noname 0.0330 29 H11 2.0646 4.4282 -0.0681 H 1 noname 0.0330 30 H12 0.6428 -0.4171 -0.3644 H 1 noname 0.1525 31 H13 -1.7824 -0.4954 1.0918 H 1 noname 0.0642 32 H14 -0.4663 4.3456 2.0372 H 1 noname 0.0629 33 H15 -3.3193 1.0581 2.3499 H 1 noname 0.0623 34 H16 -2.6956 3.4087 2.8023 H 1 noname 0.0622 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 2 5 4 6 1 6 6 7 1 7 6 8 1 8 7 9 1 9 8 10 1 10 9 11 1 11 9 12 2 12 10 12 1 13 11 13 1 14 12 14 1 15 13 15 1 16 13 14 2 17 14 16 1 18 15 17 2 19 16 18 2 20 17 18 1 21 1 19 1 22 2 20 1 23 2 21 1 24 3 22 1 25 3 23 1 26 7 24 1 27 7 25 1 28 8 26 1 29 8 27 1 30 10 28 1 31 10 29 1 32 11 30 1 33 15 31 1 34 16 32 1 35 17 33 1 36 18 34 1 @SUBSTRUCTURE 1 noname 1