@MOLECULE 76964462 33 33 1 SMALL USER_CHARGES @ATOM 1 O1 -0.7130 -6.1718 -2.7218 O.3 1 noname -0.2725 2 O2 -4.1141 0.6008 -3.7120 O.3 1 noname -0.3941 3 O3 1.9649 -6.0878 -3.2957 O.3 1 noname -0.2666 4 O4 -5.8169 -2.1271 -0.9789 O.2 1 noname -0.2826 5 O5 3.5668 -4.2208 -2.0891 O.3 1 noname -0.2746 6 N1 -2.5118 -3.1150 -1.2754 N.3 1 noname -0.2073 7 N2 -3.8234 -3.1561 -0.9943 N.3 1 noname -0.0622 8 N3 -4.2096 0.2407 -0.8993 N.3 1 noname -0.3184 9 C1 -1.8965 -4.3921 -0.9181 C.3 1 noname 0.0383 10 C2 -0.4696 -4.3474 -1.2239 C.2 1 noname -0.0252 11 C3 -4.0093 -0.8812 -1.8151 C.3 1 noname 0.1035 12 C4 0.0762 -5.2519 -2.1272 C.2 1 noname 0.0376 13 C5 -4.5952 -2.0888 -1.2408 C.2 1 noname 0.0659 14 C6 0.3430 -3.4003 -0.6118 C.2 1 noname -0.0479 15 C7 -4.6840 -0.5737 -3.1534 C.3 1 noname 0.0669 16 C8 1.4347 -5.2093 -2.4184 C.2 1 noname 0.0463 17 C9 1.7015 -3.3576 -0.9030 C.2 1 noname -0.0350 18 C10 2.2474 -4.2622 -1.8063 C.2 1 noname 0.0299 19 H1 -2.3655 -5.1937 -1.4889 H 1 noname 0.0494 20 H2 -2.0342 -4.5762 0.1474 H 1 noname 0.0494 21 H3 -2.9419 -1.0350 -1.9732 H 1 noname 0.0584 22 H4 -2.3828 -2.9423 -2.2745 H 1 noname 0.1420 23 H5 -0.0576 -2.7365 0.0511 H 1 noname 0.0627 24 H6 -4.2127 -3.9584 -0.6127 H 1 noname 0.1505 25 H7 -5.7514 -0.4199 -2.9953 H 1 noname 0.0585 26 H8 -4.5347 -1.4102 -3.8362 H 1 noname 0.0585 27 H9 2.2978 -2.6626 -0.4538 H 1 noname 0.0651 28 H10 -3.7994 1.0861 -1.3013 H 1 noname 0.1192 29 H11 -5.2104 0.3850 -0.7511 H 1 noname 0.1192 30 H12 -0.1731 -6.7251 -3.3240 H 1 noname 0.2183 31 H13 -4.5462 0.7977 -4.5693 H 1 noname 0.2101 32 H14 2.9264 -5.9205 -3.3848 H 1 noname 0.2184 33 H15 3.9884 -3.5001 -1.5759 H 1 noname 0.2183 @BOND 1 1 12 1 2 1 30 1 3 2 15 1 4 2 31 1 5 3 16 1 6 3 32 1 7 4 13 2 8 5 18 1 9 5 33 1 10 6 7 1 11 6 9 1 12 6 22 1 13 7 13 1 14 7 24 1 15 11 8 1 16 8 28 1 17 8 29 1 18 9 10 1 19 9 19 1 20 9 20 1 21 10 12 2 22 10 14 1 23 11 13 1 24 11 15 1 25 11 21 1 26 12 16 1 27 14 17 2 28 14 23 1 29 15 25 1 30 15 26 1 31 16 18 2 32 17 18 1 33 17 27 1 @SUBSTRUCTURE 1 noname 1