@MOLECULE 91864526 30 29 1 SMALL USER_CHARGES @ATOM 1 O1 3.8561 -2.3271 0.6158 O.3 1 noname -0.3959 2 C1 2.0241 -1.3073 -0.5715 C.3 1 noname -0.0183 3 C2 1.8058 -0.3139 0.5715 C.3 1 noname -0.0483 4 C3 0.3326 0.0968 0.6158 C.3 1 noname -0.0529 5 C4 1.6376 -0.6510 -1.8984 C.3 1 noname -0.0511 6 C5 0.1142 1.0902 1.7588 C.3 1 noname -0.0535 7 C6 3.4973 -1.7180 -0.6158 C.3 1 noname 0.0460 8 C7 -1.3590 1.5009 1.8030 C.3 1 noname -0.0561 9 C8 1.8559 -1.6444 -3.0414 C.3 1 noname -0.0650 10 C9 -1.5773 2.4943 2.9460 C.3 1 noname -0.0654 11 H1 1.4056 -2.1899 -0.4089 H 1 noname 0.0326 12 H2 2.0812 -0.7815 1.5168 H 1 noname 0.0270 13 H3 2.4243 0.5687 0.4089 H 1 noname 0.0270 14 H4 -0.2860 -0.7858 0.7783 H 1 noname 0.0267 15 H5 0.0572 0.5644 -0.3296 H 1 noname 0.0267 16 H6 0.5880 -0.3584 -1.8669 H 1 noname 0.0267 17 H7 2.2561 0.2317 -2.0610 H 1 noname 0.0267 18 H8 0.3896 0.6226 2.7041 H 1 noname 0.0266 19 H9 0.7328 1.9728 1.5962 H 1 noname 0.0266 20 H10 3.6529 -2.4257 -1.4300 H 1 noname 0.0566 21 H11 4.1159 -0.8353 -0.7783 H 1 noname 0.0566 22 H12 -1.9775 0.6183 1.9656 H 1 noname 0.0264 23 H13 -1.6344 1.9685 0.8577 H 1 noname 0.0264 24 H14 1.5805 -1.1768 -3.9867 H 1 noname 0.0230 25 H15 1.2374 -2.5270 -2.8788 H 1 noname 0.0230 26 H16 2.9055 -1.9370 -3.0729 H 1 noname 0.0230 27 H17 -2.6269 2.7869 2.9775 H 1 noname 0.0230 28 H18 -1.3019 2.0267 3.8913 H 1 noname 0.0230 29 H19 -0.9588 3.3769 2.7834 H 1 noname 0.0230 30 H20 4.7997 -2.5902 0.5874 H 1 noname 0.2100 @BOND 1 1 7 1 2 1 30 1 3 2 3 1 4 2 5 1 5 2 7 1 6 2 11 1 7 3 4 1 8 3 12 1 9 3 13 1 10 4 6 1 11 4 14 1 12 4 15 1 13 5 9 1 14 5 16 1 15 5 17 1 16 6 8 1 17 6 18 1 18 6 19 1 19 7 20 1 20 7 21 1 21 8 10 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 @SUBSTRUCTURE 1 noname 1