@MOLECULE DB02960 32 32 1 SMALL USER_CHARGES @ATOM 1 O1 -6.0741 -2.5603 -2.2337 O.2 1 noname -0.2555 2 C1 -4.9992 -2.6964 -1.6103 C.2 1 noname 0.1354 3 O2 -4.6363 -3.9117 -1.1478 O.3 1 noname -0.2186 4 C2 -4.1362 -1.5411 -1.3823 C.3 1 noname 0.0460 5 C3 -2.8947 -1.9779 -0.6021 C.3 1 noname 0.0048 6 N1 -2.0305 -0.8209 -0.3738 N.3 1 noname -0.3121 7 C4 -0.8442 -1.2383 0.3717 C.3 1 noname 0.0206 8 C5 0.0188 -0.0830 0.5997 C.2 1 noname -0.0469 9 C6 1.0018 0.2439 -0.3272 C.2 1 noname -0.0470 10 C7 -0.1425 0.6901 1.7435 C.2 1 noname -0.0470 11 C8 1.8235 1.3438 -0.1101 C.2 1 noname -0.0383 12 C9 0.6791 1.7901 1.9605 C.2 1 noname -0.0383 13 C10 1.6621 2.1169 1.0337 C.2 1 noname -0.0298 14 C11 2.5251 3.2723 1.2616 C.3 1 noname 0.0128 15 N2 3.7114 2.8549 2.0072 N.4 1 noname -0.0061 16 H1 -4.6390 -3.9027 -0.1879 H 1 noname 0.2213 17 H2 -3.8069 -1.2137 -2.3685 H 1 noname 0.0385 18 H3 -4.7043 -0.8637 -0.7447 H 1 noname 0.0385 19 H4 -3.2244 -2.3055 0.3838 H 1 noname 0.0433 20 H5 -2.3270 -2.6554 -1.2399 H 1 noname 0.0433 21 H6 -2.2232 0.1210 -0.6833 H 1 noname 0.1225 22 H7 -1.1884 -1.5715 1.3508 H 1 noname 0.0478 23 H8 -0.2911 -1.9214 -0.2729 H 1 noname 0.0478 24 H9 1.1283 -0.3624 -1.2241 H 1 noname 0.0626 25 H10 -0.9134 0.4338 2.4703 H 1 noname 0.0626 26 H11 2.5943 1.6001 -0.8369 H 1 noname 0.0628 27 H12 0.5526 2.3963 2.8575 H 1 noname 0.0628 28 H13 2.8693 3.6054 0.2825 H 1 noname 0.0995 29 H14 1.9720 3.9554 1.9063 H 1 noname 0.0995 30 H15 3.5265 2.9200 2.9980 H 1 noname 0.2557 31 H16 3.9399 1.9003 1.7693 H 1 noname 0.2557 32 H17 4.4874 3.4561 1.7693 H 1 noname 0.2557 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 8 9 2 9 8 10 1 10 9 11 1 11 10 12 2 12 11 13 2 13 12 13 1 14 13 14 1 15 14 15 1 16 3 16 1 17 4 17 1 18 4 18 1 19 5 19 1 20 5 20 1 21 6 21 1 22 7 22 1 23 7 23 1 24 9 24 1 25 10 25 1 26 11 26 1 27 12 27 1 28 14 28 1 29 14 29 1 30 15 30 1 31 15 31 1 32 15 32 1 @SUBSTRUCTURE 1 noname 1