@MOLECULE 119057597 29 29 1 SMALL USER_CHARGES @ATOM 1 O1 -1.9674 -0.8362 2.1226 O.2 1 noname -0.2982 2 C1 0.4213 -1.4607 -0.4359 C.3 1 noname -0.0259 3 C2 1.3252 -0.1757 -0.3414 C.3 1 noname -0.0468 4 C3 -1.0949 -1.1821 -0.1747 C.3 1 noname 0.0117 5 C4 0.9973 0.7119 0.9164 C.3 1 noname -0.0432 6 C5 -0.5331 0.9367 1.1442 C.3 1 noname 0.0148 7 C6 0.8853 -2.3956 0.6828 C.3 1 noname -0.0503 8 C7 -1.2894 -0.4168 1.1599 C.2 1 noname 0.1349 9 C8 0.5916 -2.1039 -1.8137 C.3 1 noname -0.0592 10 C9 -0.7499 1.6575 2.4763 C.3 1 noname -0.0556 11 C10 2.3603 -2.7455 0.4761 C.3 1 noname -0.0648 12 H1 1.2065 0.4194 -1.2469 H 1 noname 0.0272 13 H2 2.3777 -0.4588 -0.3348 H 1 noname 0.0272 14 H3 -1.6362 -2.1273 -0.1336 H 1 noname 0.0352 15 H4 -1.4177 -0.5360 -0.9910 H 1 noname 0.0352 16 H5 1.4341 0.2575 1.8056 H 1 noname 0.0274 17 H6 1.5020 1.6741 0.8298 H 1 noname 0.0274 18 H7 -0.9075 1.5084 0.2951 H 1 noname 0.0379 19 H8 0.2894 -3.3081 0.6644 H 1 noname 0.0269 20 H9 0.7609 -1.8998 1.6456 H 1 noname 0.0269 21 H10 -0.0344 -2.9938 -1.8791 H 1 noname 0.0236 22 H11 0.2950 -1.3936 -2.5854 H 1 noname 0.0236 23 H12 1.6354 -2.3825 -1.9581 H 1 noname 0.0236 24 H13 -1.8168 1.8142 2.6351 H 1 noname 0.0237 25 H14 -0.3470 1.0509 3.2874 H 1 noname 0.0237 26 H15 -0.2403 2.6208 2.4553 H 1 noname 0.0237 27 H16 2.6909 -3.4115 1.2731 H 1 noname 0.0230 28 H17 2.4847 -3.2412 -0.4866 H 1 noname 0.0230 29 H18 2.9562 -1.8330 0.4946 H 1 noname 0.0230 @BOND 1 1 8 2 2 2 3 1 3 2 4 1 4 2 7 1 5 2 9 1 6 3 5 1 7 3 12 1 8 3 13 1 9 4 8 1 10 4 14 1 11 4 15 1 12 5 6 1 13 5 16 1 14 5 17 1 15 6 8 1 16 6 10 1 17 6 18 1 18 7 11 1 19 7 19 1 20 7 20 1 21 9 21 1 22 9 22 1 23 9 23 1 24 10 24 1 25 10 25 1 26 10 26 1 27 11 27 1 28 11 28 1 29 11 29 1 @SUBSTRUCTURE 1 noname 1