@MOLECULE 76964615 32 32 1 SMALL USER_CHARGES @ATOM 1 O1 1.9028 -1.0675 -0.4893 O.3 1 noname -0.2771 2 O2 -0.5530 3.8089 -0.0195 O.3 1 noname -0.2659 3 O3 3.2156 3.3024 0.7198 O.3 1 noname -0.2239 4 O4 2.4247 4.0505 -0.9400 O.2 1 noname -0.2545 5 N1 -2.0472 -2.7867 0.5449 N.3 1 noname -0.3301 6 N2 2.1539 3.5959 0.0979 N.2 1 noname -0.1982 7 C1 -0.0879 0.2230 -0.4361 C.2 1 noname -0.0206 8 C2 -0.8892 -0.9825 -0.6270 C.3 1 noname 0.0245 9 C3 1.2978 0.1338 -0.3736 C.2 1 noname -0.0031 10 C4 -0.7108 1.4599 -0.3170 C.2 1 noname -0.0108 11 C5 -1.2449 -1.5795 0.7360 C.3 1 noname -0.0035 12 C6 0.0520 2.6076 -0.1353 C.2 1 noname 0.0305 13 C7 1.4377 2.5184 -0.0727 C.2 1 noname 0.0429 14 C8 2.0606 1.2815 -0.1919 C.2 1 noname 0.0246 15 C9 2.1853 -1.3253 -1.8568 C.3 1 noname 0.0423 16 C10 -0.8355 4.0668 1.3480 C.3 1 noname 0.0424 17 H1 -1.8040 -0.7296 -1.1628 H 1 noname 0.0330 18 H2 -0.3190 -1.7100 -1.2047 H 1 noname 0.0330 19 H3 -1.7277 1.5254 -0.3629 H 1 noname 0.0655 20 H4 -1.8150 -0.8520 1.3138 H 1 noname 0.0429 21 H5 -0.3300 -1.8324 1.2719 H 1 noname 0.0429 22 H6 3.0775 1.2161 -0.1460 H 1 noname 0.0685 23 H7 -2.2848 -3.1855 1.4554 H 1 noname 0.1184 24 H8 -2.9050 -2.5496 0.0425 H 1 noname 0.1184 25 H9 2.6738 -2.2953 -1.9503 H 1 noname 0.0535 26 H10 1.2553 -1.3307 -2.4253 H 1 noname 0.0535 27 H11 2.8437 -0.5481 -2.2447 H 1 noname 0.0535 28 H12 -1.3240 5.0367 1.4414 H 1 noname 0.0535 29 H13 -1.4940 3.2895 1.7358 H 1 noname 0.0535 30 H14 0.0945 4.0721 1.9164 H 1 noname 0.0535 31 H15 3.7534 4.1116 0.8479 H 1 noname 0.2597 32 H16 1.6648 4.2200 0.5934 H 1 noname 0.2776 @BOND 1 1 9 1 2 1 15 1 3 2 12 1 4 2 16 1 5 3 6 1 6 3 31 1 7 4 6 2 8 5 11 1 9 5 23 1 10 5 24 1 11 6 13 1 12 6 32 1 13 7 8 1 14 7 9 1 15 7 10 2 16 8 11 1 17 8 17 1 18 8 18 1 19 9 14 2 20 10 12 1 21 10 19 1 22 11 20 1 23 11 21 1 24 12 13 2 25 13 14 1 26 14 22 1 27 15 25 1 28 15 26 1 29 15 27 1 30 16 28 1 31 16 29 1 32 16 30 1 @SUBSTRUCTURE 1 noname 1