@MOLECULE 293302-19-9 44 46 1 SMALL USER_CHARGES @ATOM 1 C1 9.7776 -6.4470 5.1254 C.3 1 noname -0.0560 2 C2 8.5781 -6.5648 6.1228 C.3 1 noname 0.0271 3 C3 7.7082 -7.8213 5.7503 C.3 1 noname -0.0560 4 C4 9.1864 -6.9074 7.5318 C.3 1 noname -0.0560 5 C5 7.7183 -5.2983 6.0496 C.2 1 noname -0.0215 6 C6 7.5384 -4.3554 7.1102 C.2 1 noname -0.0012 7 C7 6.5670 -3.3367 7.0139 C.2 1 noname -0.0285 8 C8 5.8138 -3.1680 5.8479 C.2 1 noname -0.0457 9 C9 6.0392 -3.9917 4.7285 C.2 1 noname -0.0560 10 C10 6.9969 -5.0282 4.8482 C.2 1 noname -0.0400 11 C11 5.2604 -3.8735 3.5774 C.2 1 noname -0.0081 12 C12 4.9144 -2.7473 2.9154 C.2 1 noname 0.0438 13 C13 4.0080 -2.6773 1.8732 C.2 1 noname -0.0124 14 C14 3.2508 -3.6644 1.2023 C.2 1 noname -0.0316 15 C15 2.3552 -3.2663 0.1858 C.2 1 noname -0.0560 16 C16 2.2223 -1.9030 -0.1604 C.2 1 noname -0.0456 17 C17 2.9928 -0.9220 0.4967 C.2 1 noname -0.0302 18 C18 3.8744 -1.3370 1.5078 C.2 1 noname -0.0003 19 N1 4.6982 -0.6115 2.2619 N.3 1 noname -0.1342 20 C19 5.3429 -1.4382 3.1024 C.2 1 noname 0.0995 21 O1 6.2292 -1.0240 3.8832 O.2 1 noname -0.2755 22 O2 8.2408 -4.3800 8.2862 O.3 1 noname -0.2771 23 C20 9.3465 -3.4540 8.3209 C.3 1 noname 0.0423 24 H1 10.7082 -6.3556 5.6856 H 1 noname 0.0239 25 H2 9.8172 -7.3374 4.4979 H 1 noname 0.0239 26 H3 9.6432 -5.5659 4.4979 H 1 noname 0.0239 27 H4 7.3687 -8.3116 6.6627 H 1 noname 0.0239 28 H5 6.8448 -7.5049 5.1650 H 1 noname 0.0239 29 H6 8.3082 -8.5181 5.1650 H 1 noname 0.0239 30 H7 9.2383 -7.9895 7.6519 H 1 noname 0.0239 31 H8 10.1884 -6.4850 7.6074 H 1 noname 0.0239 32 H9 8.5543 -6.4850 8.3129 H 1 noname 0.0239 33 H10 6.3951 -2.6671 7.8567 H 1 noname 0.0650 34 H11 5.0489 -2.3923 5.8114 H 1 noname 0.0629 35 H12 7.1882 -5.6486 3.9726 H 1 noname 0.0632 36 H13 4.8675 -4.7882 3.1334 H 1 noname 0.0637 37 H14 3.3560 -4.7170 1.4650 H 1 noname 0.0629 38 H15 1.7616 -4.0172 -0.3357 H 1 noname 0.0622 39 H16 1.5206 -1.6060 -0.9399 H 1 noname 0.0623 40 H17 2.9088 0.1314 0.2295 H 1 noname 0.0639 41 H18 4.8138 0.3903 2.2060 H 1 noname 0.1374 42 H19 9.6061 -3.2367 9.3570 H 1 noname 0.0535 43 H20 10.2059 -3.8952 7.8159 H 1 noname 0.0535 44 H21 9.0631 -2.5305 7.8159 H 1 noname 0.0535 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 6 7 1 7 7 8 2 8 8 9 1 9 9 10 2 10 5 10 1 11 9 11 1 12 11 12 2 13 12 13 1 14 13 14 2 15 14 15 1 16 15 16 2 17 16 17 1 18 17 18 2 19 13 18 1 20 18 19 1 21 19 20 1 22 12 20 1 23 20 21 2 24 6 22 1 25 22 23 1 26 1 24 1 27 1 25 1 28 1 26 1 29 3 27 1 30 3 28 1 31 3 29 1 32 4 30 1 33 4 31 1 34 4 32 1 35 7 33 1 36 8 34 1 37 10 35 1 38 11 36 1 39 14 37 1 40 15 38 1 41 16 39 1 42 17 40 1 43 19 41 1 44 23 42 1 45 23 43 1 46 23 44 1 @SUBSTRUCTURE 1 noname 1