@MOLECULE 91864500 30 29 1 SMALL USER_CHARGES @ATOM 1 O1 2.5941 -1.9898 1.1354 O.3 1 noname -0.3959 2 C1 1.6994 -0.0597 0.0041 C.3 1 noname -0.0181 3 C2 0.4107 0.5425 -0.5595 C.3 1 noname -0.0483 4 C3 2.7244 -0.2150 -1.1211 C.3 1 noname -0.0485 5 C4 -0.6143 0.6978 0.5657 C.3 1 noname -0.0532 6 C5 1.3981 -1.4309 0.6123 C.3 1 noname 0.0460 7 C6 3.0257 1.1562 -1.7294 C.3 1 noname -0.0558 8 C7 -1.9030 1.3000 0.0021 C.3 1 noname -0.0561 9 C8 4.0507 1.0009 -2.8546 C.3 1 noname -0.0654 10 C9 -2.9280 1.4553 1.1273 C.3 1 noname -0.0654 11 H1 2.1018 0.5988 0.7739 H 1 noname 0.0326 12 H2 0.0083 -0.1159 -1.3293 H 1 noname 0.0270 13 H3 0.6254 1.5194 -0.9928 H 1 noname 0.0270 14 H4 2.3220 -0.8734 -1.8909 H 1 noname 0.0270 15 H5 3.6425 -0.6440 -0.7196 H 1 noname 0.0270 16 H6 -0.8290 -0.2791 0.9990 H 1 noname 0.0266 17 H7 -0.2119 1.3563 1.3355 H 1 noname 0.0266 18 H8 0.6678 -1.3203 1.4139 H 1 noname 0.0566 19 H9 0.9957 -2.0893 -0.1575 H 1 noname 0.0566 20 H10 2.1076 1.5852 -2.1309 H 1 noname 0.0264 21 H11 3.4281 1.8147 -0.9596 H 1 noname 0.0264 22 H12 -2.3054 0.6416 -0.7677 H 1 noname 0.0264 23 H13 -1.6883 2.2769 -0.4312 H 1 noname 0.0264 24 H14 4.2654 1.9778 -3.2879 H 1 noname 0.0230 25 H15 3.6483 0.3425 -3.6244 H 1 noname 0.0230 26 H16 4.9688 0.5719 -2.4531 H 1 noname 0.0230 27 H17 -3.8461 1.8843 0.7258 H 1 noname 0.0230 28 H18 -3.1427 0.4784 1.5606 H 1 noname 0.0230 29 H19 -2.5256 2.1137 1.8971 H 1 noname 0.0230 30 H20 2.4011 -2.8681 1.5250 H 1 noname 0.2100 @BOND 1 1 6 1 2 1 30 1 3 2 3 1 4 2 4 1 5 2 6 1 6 2 11 1 7 3 5 1 8 3 12 1 9 3 13 1 10 4 7 1 11 4 14 1 12 4 15 1 13 5 8 1 14 5 16 1 15 5 17 1 16 6 18 1 17 6 19 1 18 7 9 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