@MOLECULE 67632359 33 34 1 SMALL USER_CHARGES @ATOM 1 O1 0.3127 0.9168 -2.9843 O.3 1 noname -0.2168 2 O2 -1.9144 0.5824 -2.9561 O.2 1 noname -0.2533 3 O3 4.1785 -0.3278 1.8091 O.2 1 noname -0.2975 4 C1 -0.6029 -1.0880 -1.8133 C.3 1 noname 0.0671 5 C2 0.0652 -0.7739 -0.5194 C.2 1 noname -0.0351 6 C3 1.4676 -0.8072 -0.4181 C.2 1 noname -0.0111 7 C4 2.1537 -0.3108 0.7265 C.2 1 noname -0.0142 8 C5 -1.9140 -1.6757 -1.5539 C.3 1 noname -0.0490 9 C6 -0.6556 -0.4559 0.6507 C.2 1 noname -0.0343 10 C7 1.4082 0.0203 1.8783 C.2 1 noname -0.0186 11 C8 0.0101 -0.0984 1.8447 C.2 1 noname -0.0452 12 C9 -0.7719 0.1977 -2.6252 C.2 1 noname 0.1386 13 C10 3.5623 -0.1060 0.7238 C.2 1 noname 0.0601 14 C11 4.2721 0.3558 -0.4535 C.2 1 noname -0.0168 15 C12 3.6180 0.7758 -1.6759 C.2 1 noname -0.0194 16 C13 5.7009 0.4327 -0.4064 C.2 1 noname -0.0194 17 C14 4.3489 1.0479 -2.8516 C.2 1 noname -0.0478 18 C15 6.4313 0.8243 -1.5614 C.2 1 noname -0.0478 19 C16 5.7570 1.0763 -2.7870 C.2 1 noname -0.0426 20 H1 0.0074 -1.7950 -2.3751 H 1 noname 0.0456 21 H2 2.0179 -1.1483 -1.2117 H 1 noname 0.0633 22 H3 -2.4029 -1.9055 -2.5007 H 1 noname 0.0242 23 H4 -2.5244 -0.9687 -0.9920 H 1 noname 0.0242 24 H5 -1.7936 -2.5917 -0.9755 H 1 noname 0.0242 25 H6 -1.6732 -0.5447 0.6597 H 1 noname 0.0625 26 H7 1.8848 0.3052 2.7480 H 1 noname 0.0630 27 H8 -0.5177 0.0605 2.6979 H 1 noname 0.0622 28 H9 2.6061 0.8950 -1.7454 H 1 noname 0.0630 29 H10 6.2183 0.2402 0.4683 H 1 noname 0.0630 30 H11 0.2427 1.8883 -3.0925 H 1 noname 0.2213 31 H12 3.8667 1.2212 -3.7335 H 1 noname 0.0622 32 H13 7.4451 0.9250 -1.5103 H 1 noname 0.0622 33 H14 6.2971 1.2797 -3.6281 H 1 noname 0.0622 @BOND 1 1 12 1 2 1 30 1 3 2 12 2 4 3 13 2 5 4 5 1 6 4 8 1 7 4 12 1 8 4 20 1 9 5 6 2 10 5 9 1 11 6 7 1 12 6 21 1 13 7 10 2 14 7 13 1 15 8 22 1 16 8 23 1 17 8 24 1 18 9 11 2 19 9 25 1 20 10 11 1 21 10 26 1 22 11 27 1 23 13 14 1 24 14 15 2 25 14 16 1 26 15 17 1 27 15 28 1 28 16 18 2 29 16 29 1 30 17 19 2 31 17 31 1 32 18 19 1 33 18 32 1 34 19 33 1 @SUBSTRUCTURE 1 noname 1