@MOLECULE 86278157 33 32 1 SMALL USER_CHARGES @ATOM 1 O1 1.6828 -3.3801 -1.3644 O.3 1 noname -0.3930 2 C1 1.9915 -1.4253 0.0101 C.3 1 noname -0.0183 3 C2 1.6417 0.0598 0.1250 C.3 1 noname -0.0482 4 C3 0.1219 0.2218 0.1951 C.3 1 noname -0.0527 5 C4 -0.2279 1.7068 0.3101 C.3 1 noname -0.0509 6 C5 1.3581 -2.0018 -1.2577 C.3 1 noname 0.0539 7 C6 -1.7477 1.8688 0.3802 C.3 1 noname -0.0471 8 C7 3.5113 -1.5873 -0.0600 C.3 1 noname -0.0601 9 C8 1.8947 -1.2553 -2.4807 C.3 1 noname -0.0387 10 C9 -2.0975 3.3538 0.4951 C.3 1 noname -0.0628 11 C10 -2.3811 1.2922 -0.8876 C.3 1 noname -0.0628 12 H1 1.6093 -1.9571 0.8814 H 1 noname 0.0326 13 H2 2.0239 0.5916 -0.7463 H 1 noname 0.0270 14 H3 2.0929 0.4705 1.0282 H 1 noname 0.0270 15 H4 -0.3293 -0.1890 -0.7081 H 1 noname 0.0267 16 H5 -0.2604 -0.3101 1.0664 H 1 noname 0.0267 17 H6 0.1543 2.2386 -0.5612 H 1 noname 0.0269 18 H7 0.2233 2.1175 1.2133 H 1 noname 0.0269 19 H8 0.2754 -1.8864 -1.2077 H 1 noname 0.0599 20 H9 -2.1300 1.3370 1.2515 H 1 noname 0.0297 21 H10 3.7605 -2.6452 -0.1419 H 1 noname 0.0234 22 H11 3.8936 -1.0555 -0.9313 H 1 noname 0.0234 23 H12 3.9625 -1.1765 0.8432 H 1 noname 0.0234 24 H13 1.6455 -0.1974 -2.3988 H 1 noname 0.0257 25 H14 1.4435 -1.6661 -3.3839 H 1 noname 0.0257 26 H15 2.9774 -1.3707 -2.5307 H 1 noname 0.0257 27 H16 -3.1803 3.4692 0.5451 H 1 noname 0.0233 28 H17 -1.7153 3.8856 -0.3762 H 1 noname 0.0233 29 H18 -1.6463 3.7646 1.3983 H 1 noname 0.0233 30 H19 -3.4638 1.4077 -0.8376 H 1 noname 0.0233 31 H20 -2.1319 0.2343 -0.9695 H 1 noname 0.0233 32 H21 -1.9988 1.8241 -1.7589 H 1 noname 0.0233 33 H22 1.2771 -3.7494 -2.1764 H 1 noname 0.2104 @BOND 1 6 1 1 2 1 33 1 3 2 3 1 4 2 6 1 5 2 8 1 6 2 12 1 7 3 4 1 8 3 13 1 9 3 14 1 10 4 5 1 11 4 15 1 12 4 16 1 13 5 7 1 14 5 17 1 15 5 18 1 16 6 9 1 17 6 19 1 18 7 10 1 19 7 11 1 20 7 20 1 21 8 21 1 22 8 22 1 23 8 23 1 24 9 24 1 25 9 25 1 26 9 26 1 27 10 27 1 28 10 28 1 29 10 29 1 30 11 30 1 31 11 31 1 32 11 32 1 @SUBSTRUCTURE 1 noname 1