@MOLECULE 72941752 32 33 1 SMALL USER_CHARGES @ATOM 1 O1 0.3742 2.3854 -0.5823 O.3 1 noname -0.2452 2 O2 -0.5949 0.1917 -0.6447 O.3 1 noname -0.2463 3 N1 -0.9841 4.1352 5.9563 N.3 1 noname -0.3141 4 C1 -0.7115 3.2592 4.8180 C.3 1 noname 0.0080 5 C2 -1.7798 3.4717 3.7435 C.3 1 noname 0.0147 6 C3 -1.5075 2.5969 2.6068 C.2 1 noname -0.0556 7 C4 -0.7354 1.8007 5.2796 C.3 1 noname -0.0494 8 C5 -0.6770 3.0663 1.5393 C.2 1 noname -0.0200 9 C6 -0.9612 5.5289 5.5152 C.3 1 noname -0.0074 10 C7 -2.0737 1.2862 2.5768 C.2 1 noname -0.0618 11 C8 -0.4207 2.1615 0.4755 C.2 1 noname 0.0291 12 C9 -0.9815 0.8768 0.4427 C.2 1 noname 0.0233 13 C10 -1.8307 0.4027 1.4771 C.2 1 noname -0.0195 14 C11 -1.2466 6.4456 6.7064 C.3 1 noname -0.0527 15 C12 0.0681 1.2319 -1.3905 C.3 1 noname 0.1587 16 H1 0.2700 3.4938 4.4059 H 1 noname 0.0465 17 H2 -2.7612 3.2371 4.1556 H 1 noname 0.0332 18 H3 -1.7627 4.5108 3.4146 H 1 noname 0.0332 19 H4 -0.2705 3.9933 6.6740 H 1 noname 0.1224 20 H5 -0.5321 1.1476 4.4309 H 1 noname 0.0246 21 H6 -1.7169 1.5661 5.6917 H 1 noname 0.0246 22 H7 0.0257 1.6493 6.0450 H 1 noname 0.0246 23 H8 -0.2868 4.0087 1.5428 H 1 noname 0.0654 24 H9 -1.7223 5.6803 4.7497 H 1 noname 0.0425 25 H10 0.0202 5.7635 5.1031 H 1 noname 0.0425 26 H11 -2.6603 0.9748 3.3510 H 1 noname 0.0626 27 H12 -2.2492 -0.5267 1.4382 H 1 noname 0.0651 28 H13 -1.2295 7.4847 6.3776 H 1 noname 0.0243 29 H14 -2.2280 6.2110 7.1185 H 1 noname 0.0243 30 H15 -0.4855 6.2942 7.4719 H 1 noname 0.0243 31 H16 -0.5584 1.5325 -2.2303 H 1 noname 0.0892 32 H17 0.9772 0.8433 -1.8493 H 1 noname 0.0892 @BOND 1 1 11 1 2 1 15 1 3 2 12 1 4 2 15 1 5 4 3 1 6 3 9 1 7 3 19 1 8 4 5 1 9 4 7 1 10 4 16 1 11 5 6 1 12 5 17 1 13 5 18 1 14 6 8 2 15 6 10 1 16 7 20 1 17 7 21 1 18 7 22 1 19 8 11 1 20 8 23 1 21 9 14 1 22 9 24 1 23 9 25 1 24 10 13 2 25 10 26 1 26 11 12 2 27 12 13 1 28 13 27 1 29 14 28 1 30 14 29 1 31 14 30 1 32 15 31 1 33 15 32 1 @SUBSTRUCTURE 1 noname 1