@MOLECULE 101603130 33 34 1 SMALL USER_CHARGES @ATOM 1 O1 0.9144 -1.3497 2.2187 O.3 1 noname -0.1442 2 O2 5.0239 -1.1666 0.4846 O.3 1 noname -0.3812 3 O3 0.5183 -1.6353 4.4382 O.2 1 noname -0.2454 4 O4 -2.8851 0.4835 4.4215 O.3 1 noname -0.2133 5 O5 -1.9085 -1.3598 5.2706 O.2 1 noname -0.2507 6 C1 2.7149 -1.6738 0.0191 C.3 1 noname 0.0347 7 C2 1.3927 -1.0729 -0.1306 C.2 1 noname -0.0104 8 C3 0.5139 -0.9222 0.9791 C.2 1 noname 0.0143 9 C4 3.7380 -0.5822 0.3390 C.3 1 noname 0.0585 10 C5 -0.7915 -0.3277 0.8258 C.2 1 noname -0.0029 11 C6 0.9229 -0.6103 -1.3953 C.2 1 noname -0.0496 12 C7 -1.2582 0.1321 -0.4320 C.2 1 noname -0.0434 13 C8 -0.3782 -0.0189 -1.5428 C.2 1 noname -0.0613 14 C9 -1.6259 -0.2004 1.9564 C.2 1 noname 0.0469 15 C10 -1.1822 -0.6517 3.2205 C.2 1 noname 0.1359 16 C11 3.7677 0.4386 -0.8003 C.3 1 noname -0.0384 17 C12 0.1096 -1.2309 3.3283 C.2 1 noname 0.1475 18 C13 4.9963 -2.1140 1.5420 C.3 1 noname 0.0359 19 C14 -1.9974 -0.5303 4.3398 C.2 1 noname 0.1290 20 H1 2.6937 -2.4011 0.8308 H 1 noname 0.0343 21 H2 2.9943 -2.1730 -0.9087 H 1 noname 0.0343 22 H3 3.4586 -0.0830 1.2669 H 1 noname 0.0603 23 H4 1.5245 -0.7014 -2.2140 H 1 noname 0.0626 24 H5 -2.1818 0.5520 -0.5368 H 1 noname 0.0629 25 H6 -0.6790 0.3001 -2.4637 H 1 noname 0.0622 26 H7 -2.5512 0.2181 1.8615 H 1 noname 0.0640 27 H8 2.7807 0.8872 -0.9121 H 1 noname 0.0257 28 H9 4.0472 -0.0605 -1.7281 H 1 noname 0.0257 29 H10 5.9834 -2.5626 1.6538 H 1 noname 0.0529 30 H11 4.2674 -2.8917 1.3141 H 1 noname 0.0529 31 H12 4.7169 -1.6148 2.4699 H 1 noname 0.0529 32 H13 -3.7197 0.3649 4.9212 H 1 noname 0.2216 33 H14 4.4966 1.2163 -0.5724 H 1 noname 0.0257 @BOND 1 1 8 1 2 1 17 1 3 2 9 1 4 2 18 1 5 3 17 2 6 4 19 1 7 4 32 1 8 5 19 2 9 6 7 1 10 6 9 1 11 6 20 1 12 6 21 1 13 7 8 1 14 7 11 2 15 8 10 2 16 9 16 1 17 9 22 1 18 10 12 1 19 10 14 1 20 11 13 1 21 11 23 1 22 12 13 2 23 12 24 1 24 13 25 1 25 14 15 2 26 14 26 1 27 15 17 1 28 15 19 1 29 16 27 1 30 16 28 1 31 16 33 1 32 18 29 1 33 18 30 1 34 18 31 1 @SUBSTRUCTURE 1 noname 1