@MOLECULE 73425523 34 33 1 SMALL USER_CHARGES @ATOM 1 S1 0.3401 1.6694 0.2102 S.3 1 noname -0.1451 2 O1 2.3690 -1.8548 1.5437 O.3 1 noname -0.2136 3 O2 -2.8895 4.1408 1.5432 O.3 1 noname -0.2091 4 O3 0.3598 2.2448 -3.1655 O.3 1 noname -0.2150 5 O4 0.8626 -1.0346 0.0841 O.2 1 noname -0.2491 6 O5 -1.6197 1.4013 -2.5005 O.2 1 noname -0.2510 7 O6 -0.6505 3.9629 1.3760 O.2 1 noname -0.2539 8 O7 6.1232 -0.4773 0.5006 O.2 1 noname -0.2971 9 N1 3.9829 0.0470 0.0794 N.3 1 noname -0.0718 10 C1 2.6963 0.3516 0.5692 C.3 1 noname 0.1090 11 C2 1.9827 1.2806 -0.4150 C.3 1 noname 0.0196 12 C3 -0.4994 2.7624 -0.9477 C.3 1 noname 0.0998 13 C4 -1.8955 3.0929 -0.4162 C.3 1 noname 0.0550 14 C5 1.9282 -0.8810 0.7191 C.2 1 noname 0.1444 15 C6 -0.6161 2.1009 -2.2440 C.2 1 noname 0.1419 16 C7 -1.7788 3.7544 0.8801 C.2 1 noname 0.1398 17 C8 4.9825 -0.2073 0.9348 C.2 1 noname 0.0394 18 C9 4.7394 -0.1689 2.3739 C.3 1 noname 0.0095 19 C10 -2.8919 4.1787 2.9626 C.3 1 noname 0.0453 20 H1 2.7834 0.8454 1.5369 H 1 noname 0.0586 21 H2 1.8955 0.7867 -1.3828 H 1 noname 0.0402 22 H3 2.5560 2.2008 -0.5270 H 1 noname 0.0402 23 H4 0.0740 3.6826 -1.0596 H 1 noname 0.0529 24 H5 -2.4689 2.1727 -0.3042 H 1 noname 0.0389 25 H6 -2.4039 3.7547 -1.1174 H 1 noname 0.0389 26 H7 4.1444 0.0215 -0.8767 H 1 noname 0.1318 27 H8 4.9615 -1.1447 2.8060 H 1 noname 0.0324 28 H9 3.6949 0.0814 2.5593 H 1 noname 0.0324 29 H10 5.3804 0.5851 2.8306 H 1 noname 0.0324 30 H11 2.1603 -2.7926 1.3500 H 1 noname 0.2213 31 H12 0.5374 1.5261 -3.8076 H 1 noname 0.2213 32 H13 -3.8677 4.5122 3.3156 H 1 noname 0.0536 33 H14 -2.6854 3.1822 3.3530 H 1 noname 0.0536 34 H15 -2.1243 4.8708 3.3089 H 1 noname 0.0536 @BOND 1 1 11 1 2 1 12 1 3 2 14 1 4 2 30 1 5 3 16 1 6 3 19 1 7 4 15 1 8 4 31 1 9 5 14 2 10 6 15 2 11 7 16 2 12 8 17 2 13 10 9 1 14 9 17 1 15 9 26 1 16 10 11 1 17 10 14 1 18 10 20 1 19 11 21 1 20 11 22 1 21 12 13 1 22 12 15 1 23 12 23 1 24 13 16 1 25 13 24 1 26 13 25 1 27 17 18 1 28 18 27 1 29 18 28 1 30 18 29 1 31 19 32 1 32 19 33 1 33 19 34 1 @SUBSTRUCTURE 1 noname 1