@MOLECULE 71370116 33 33 1 SMALL USER_CHARGES @ATOM 1 O1 0.3680 0.3461 0.6835 O.3 1 noname -0.0911 2 O2 2.0113 -1.3970 0.7375 O.2 1 noname -0.2454 3 O3 -1.5644 0.3989 -0.7248 O.2 1 noname -0.2464 4 C1 2.0169 0.4163 -0.9724 C.3 1 noname 0.0552 5 C2 2.8532 1.6089 -0.5044 C.3 1 noname -0.0370 6 C3 0.7151 0.9184 -1.5876 C.3 1 noname 0.0463 7 C4 4.1594 1.1051 0.1128 C.3 1 noname -0.0343 8 C5 1.5171 -0.3618 0.2409 C.2 1 noname 0.1751 9 C6 -0.3350 0.5293 -0.5403 C.2 1 noname 0.1738 10 C7 4.9410 2.2198 0.5503 C.2 1 noname -0.0885 11 C8 6.9065 3.1331 1.5595 C.3 1 noname -0.0350 12 C9 7.1488 3.0261 3.0664 C.3 1 noname -0.0501 13 C10 6.1249 2.0184 1.1220 C.2 1 noname -0.0885 14 C11 7.9851 4.2188 3.5344 C.3 1 noname -0.0559 15 C12 8.2274 4.1117 5.0413 C.3 1 noname -0.0654 16 H1 2.6196 -0.1820 -1.6558 H 1 noname 0.0414 17 H2 2.2939 2.1748 0.2406 H 1 noname 0.0278 18 H3 3.0778 2.2516 -1.3556 H 1 noname 0.0278 19 H4 0.5201 0.3800 -2.5150 H 1 noname 0.0381 20 H5 0.7009 1.9787 -1.8399 H 1 noname 0.0381 21 H6 3.9348 0.4624 0.9641 H 1 noname 0.0310 22 H7 4.7187 0.5392 -0.6321 H 1 noname 0.0310 23 H8 4.6009 3.1414 0.4276 H 1 noname 0.0572 24 H9 6.3731 4.0585 1.3421 H 1 noname 0.0309 25 H10 7.8630 3.1337 1.0368 H 1 noname 0.0309 26 H11 6.1923 3.0256 3.5890 H 1 noname 0.0269 27 H12 7.6822 2.1007 3.2838 H 1 noname 0.0269 28 H13 6.4650 1.0968 1.2447 H 1 noname 0.0572 29 H14 7.4517 5.1442 3.3170 H 1 noname 0.0264 30 H15 8.9416 4.2193 3.0117 H 1 noname 0.0264 31 H16 8.8232 4.9614 5.3748 H 1 noname 0.0230 32 H17 7.2709 4.1112 5.5640 H 1 noname 0.0230 33 H18 8.7608 3.1863 5.2587 H 1 noname 0.0230 @BOND 1 1 8 1 2 1 9 1 3 2 8 2 4 3 9 2 5 4 5 1 6 4 6 1 7 4 8 1 8 4 16 1 9 5 7 1 10 5 17 1 11 5 18 1 12 6 9 1 13 6 19 1 14 6 20 1 15 7 10 1 16 7 21 1 17 7 22 1 18 10 13 2 19 10 23 1 20 11 12 1 21 11 13 1 22 11 24 1 23 11 25 1 24 12 14 1 25 12 26 1 26 12 27 1 27 13 28 1 28 14 15 1 29 14 29 1 30 14 30 1 31 15 31 1 32 15 32 1 33 15 33 1 @SUBSTRUCTURE 1 noname 1