@MOLECULE 59018633 30 30 1 SMALL USER_CHARGES @ATOM 1 O1 2.9603 -0.9264 1.2303 O.2 1 noname -0.3050 2 C1 -0.1556 -0.0135 0.2271 C.3 1 noname -0.0221 3 C2 1.3358 0.1971 -0.0417 C.3 1 noname 0.0205 4 C3 0.4136 1.4041 0.1417 C.3 1 noname -0.0371 5 C4 -0.8663 -0.3576 -1.0833 C.3 1 noname -0.0437 6 C5 -0.5476 -0.5239 1.6152 C.3 1 noname -0.0589 7 C6 2.0890 -0.0311 1.1881 C.2 1 noname 0.1254 8 C7 -0.2674 -1.6387 -1.6673 C.3 1 noname -0.0343 9 C8 -0.9317 -1.9603 -2.8921 C.2 1 noname -0.0839 10 C9 -0.5733 -3.0412 -3.5791 C.2 1 noname -0.0822 11 C10 -1.2376 -3.3627 -4.8039 C.3 1 noname -0.0442 12 C11 0.4765 -3.8818 -3.0930 C.3 1 noname -0.0442 13 H1 1.7950 0.3211 -1.0224 H 1 noname 0.0385 14 H2 0.1775 1.8323 -0.8325 H 1 noname 0.0280 15 H3 0.5033 1.9597 1.0751 H 1 noname 0.0280 16 H4 -1.9288 -0.5077 -0.8919 H 1 noname 0.0275 17 H5 -0.7369 0.4601 -1.7924 H 1 noname 0.0275 18 H6 -1.6311 -0.6288 1.6711 H 1 noname 0.0236 19 H7 -0.2118 0.1856 2.3714 H 1 noname 0.0236 20 H8 -0.0792 -1.4922 1.7919 H 1 noname 0.0236 21 H9 1.9041 0.5400 2.0128 H 1 noname 0.1044 22 H10 -0.3969 -2.4563 -0.9582 H 1 noname 0.0310 23 H11 0.7951 -1.4886 -1.8588 H 1 noname 0.0310 24 H12 -1.6585 -1.3783 -3.2286 H 1 noname 0.0575 25 H13 0.0894 -4.8870 -2.9266 H 1 noname 0.0276 26 H14 0.8589 -3.4797 -2.1548 H 1 noname 0.0276 27 H15 -1.7046 -4.3438 -4.7173 H 1 noname 0.0276 28 H16 -2.0018 -2.6135 -5.0103 H 1 noname 0.0276 29 H17 -0.5126 -3.3761 -5.6178 H 1 noname 0.0276 30 H18 1.2813 -3.9193 -3.8271 H 1 noname 0.0276 @BOND 1 1 7 2 2 2 3 1 3 2 4 1 4 2 5 1 5 2 6 1 6 3 4 1 7 3 7 1 8 3 13 1 9 4 14 1 10 4 15 1 11 5 8 1 12 5 16 1 13 5 17 1 14 6 18 1 15 6 19 1 16 6 20 1 17 7 21 1 18 8 9 1 19 8 22 1 20 8 23 1 21 9 10 2 22 9 24 1 23 10 11 1 24 10 12 1 25 11 27 1 26 11 28 1 27 11 29 1 28 12 25 1 29 12 26 1 30 12 30 1 @SUBSTRUCTURE 1 noname 1