@MOLECULE 86278155 33 32 1 SMALL USER_CHARGES @ATOM 1 O1 2.3748 -3.6804 -1.3561 O.3 1 noname -0.3930 2 C1 1.5106 -1.6838 -0.1832 C.3 1 noname -0.0183 3 C2 1.6688 -0.1729 0.1928 C.3 1 noname -0.0482 4 C3 1.4410 0.7459 -1.0082 C.3 1 noname -0.0527 5 C4 1.7481 2.2507 -0.8765 C.3 1 noname -0.0509 6 C5 2.5379 -2.2666 -1.2443 C.3 1 noname 0.0539 7 C6 1.6397 3.0109 -2.2408 C.3 1 noname -0.0471 8 C7 1.6455 -2.4792 1.1557 C.3 1 noname -0.0601 9 C8 2.4564 -1.9058 -2.7390 C.3 1 noname -0.0387 10 C9 1.8106 4.5241 -2.0677 C.3 1 noname -0.0628 11 C10 2.6314 2.6615 -3.3611 C.3 1 noname -0.0628 12 H1 0.4952 -1.8402 -0.5513 H 1 noname 0.0326 13 H2 0.9744 0.1323 0.9833 H 1 noname 0.0270 14 H3 2.6765 0.0101 0.5561 H 1 noname 0.0270 15 H4 0.5083 0.5601 -1.5340 H 1 noname 0.0267 16 H5 2.2507 0.4620 -1.6501 H 1 noname 0.0267 17 H6 1.0323 2.6505 -0.1697 H 1 noname 0.0269 18 H7 2.7223 2.3943 -0.4289 H 1 noname 0.0269 19 H8 3.5518 -2.0751 -0.8897 H 1 noname 0.0599 20 H9 0.6602 2.8341 -2.6686 H 1 noname 0.0297 21 H10 1.4789 -3.5381 0.9951 H 1 noname 0.0234 22 H11 0.9132 -2.1323 1.8882 H 1 noname 0.0234 23 H12 2.6458 -2.3381 1.5715 H 1 noname 0.0234 24 H13 3.0140 -1.0142 -3.0053 H 1 noname 0.0257 25 H14 1.4124 -1.7806 -3.0262 H 1 noname 0.0257 26 H15 2.9001 -2.7240 -3.3062 H 1 noname 0.0257 27 H16 1.7283 5.0125 -3.0387 H 1 noname 0.0233 28 H17 1.0345 4.9038 -1.4031 H 1 noname 0.0233 29 H18 2.7905 4.7323 -1.6382 H 1 noname 0.0233 30 H19 2.4216 3.2758 -4.2368 H 1 noname 0.0233 31 H20 2.5279 1.6085 -3.6227 H 1 noname 0.0233 32 H21 3.6485 2.8525 -3.0186 H 1 noname 0.0233 33 H22 1.4611 -3.8818 -1.6476 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