@MOLECULE 73330464 31 31 1 SMALL USER_CHARGES @ATOM 1 O1 -2.6564 -2.2350 -0.1649 O.3 1 noname -0.2081 2 O2 2.1232 0.2633 0.7965 O.2 1 noname -0.2877 3 O3 0.3102 0.1001 -3.1532 O.2 1 noname -0.2877 4 O4 -4.6327 -3.2826 0.0986 O.2 1 noname -0.2600 5 O5 -8.0369 -0.0439 -1.0869 O.3 1 noname -0.2115 6 O6 -6.0606 1.0036 -1.3504 O.2 1 noname -0.2603 7 N1 0.2662 -0.1435 -0.7310 N.3 1 noname 0.0822 8 C1 0.7236 2.0946 -0.1682 C.3 1 noname 0.0301 9 C2 0.2383 2.0691 -1.6180 C.3 1 noname 0.0301 10 C3 -0.4413 -1.3112 -0.3789 C.3 1 noname 0.0377 11 C4 0.2768 0.5850 -2.0015 C.2 1 noname 0.0847 12 C5 1.1824 0.6595 0.0751 C.2 1 noname 0.0847 13 C6 -1.9438 -1.0590 -0.5195 C.3 1 noname 0.0704 14 C7 -4.0054 -2.2473 -0.2135 C.2 1 noname 0.1019 15 C8 -4.6821 -1.1334 -0.6020 C.2 1 noname 0.0960 16 C9 -6.0112 -1.1455 -0.6498 C.2 1 noname 0.0957 17 C10 -6.6878 -0.0316 -1.0383 C.2 1 noname 0.1009 18 C11 -8.7210 0.7725 -2.0260 C.3 1 noname 0.0456 19 H1 -0.7894 2.4296 -1.6636 H 1 noname 0.0366 20 H2 0.8553 2.6340 -2.3168 H 1 noname 0.0366 21 H3 -0.1132 2.3253 0.4911 H 1 noname 0.0366 22 H4 1.4940 2.8349 0.0476 H 1 noname 0.0366 23 H5 -0.2125 -1.5774 0.6530 H 1 noname 0.0465 24 H6 -0.1466 -2.1274 -1.0386 H 1 noname 0.0465 25 H7 -2.2385 -0.2429 0.1402 H 1 noname 0.0587 26 H8 -2.1726 -0.7928 -1.5514 H 1 noname 0.0587 27 H9 -4.1853 -0.3135 -0.8492 H 1 noname 0.0688 28 H10 -6.5079 -1.9654 -0.4027 H 1 noname 0.0688 29 H11 -9.7960 0.6295 -1.9166 H 1 noname 0.0536 30 H12 -8.4735 1.8187 -1.8461 H 1 noname 0.0536 31 H13 -8.4186 0.4961 -3.0360 H 1 noname 0.0536 @BOND 1 1 13 1 2 1 14 1 3 2 12 2 4 3 11 2 5 4 14 2 6 5 17 1 7 5 18 1 8 6 17 2 9 7 10 1 10 7 11 1 11 7 12 1 12 8 9 1 13 8 12 1 14 8 21 1 15 8 22 1 16 9 11 1 17 9 19 1 18 9 20 1 19 10 13 1 20 10 23 1 21 10 24 1 22 13 25 1 23 13 26 1 24 14 15 1 25 15 16 2 26 15 27 1 27 16 17 1 28 16 28 1 29 18 29 1 30 18 30 1 31 18 31 1 @SUBSTRUCTURE 1 noname 1