@MOLECULE 71764450 30 30 1 SMALL USER_CHARGES @ATOM 1 O1 -2.7978 -3.2480 1.9215 O.3 1 noname -0.3933 2 O2 1.0965 3.2670 0.8753 O.3 1 noname -0.2676 3 O3 0.0154 4.0823 -1.5067 O.3 1 noname -0.2772 4 C1 -1.5328 -1.5457 0.7779 C.3 1 noname -0.0232 5 C2 -0.2474 -1.2983 -0.0141 C.3 1 noname 0.0065 6 C3 -1.6047 -3.0184 1.1864 C.3 1 noname 0.0516 7 C4 -0.1787 0.1070 -0.4040 C.2 1 noname -0.0603 8 C5 -1.6010 -3.8961 -0.0668 C.3 1 noname -0.0389 9 C6 0.4350 1.0313 0.4333 C.2 1 noname -0.0259 10 C7 -0.7272 0.5206 -1.6124 C.2 1 noname -0.0666 11 C8 0.5004 2.3693 0.0621 C.2 1 noname 0.0216 12 C9 -0.6618 1.8585 -1.9835 C.2 1 noname -0.0256 13 C10 -0.0481 2.7829 -1.1463 C.2 1 noname 0.0153 14 C11 0.1347 3.8078 1.7691 C.3 1 noname 0.0424 15 H1 -2.3947 -1.2980 0.1583 H 1 noname 0.0296 16 H2 -1.5355 -0.9204 1.6707 H 1 noname 0.0296 17 H3 -0.2447 -1.9236 -0.9070 H 1 noname 0.0317 18 H4 0.6145 -1.5460 0.6055 H 1 noname 0.0317 19 H5 -0.7428 -3.2661 1.8060 H 1 noname 0.0597 20 H6 -0.6852 -3.7198 -0.6311 H 1 noname 0.0256 21 H7 -2.4629 -3.6484 -0.6864 H 1 noname 0.0256 22 H8 -1.6522 -4.9452 0.2243 H 1 noname 0.0256 23 H9 0.8375 0.7278 1.3200 H 1 noname 0.0654 24 H10 -1.1775 -0.1577 -2.2268 H 1 noname 0.0626 25 H11 -1.0643 2.1620 -2.8703 H 1 noname 0.0651 26 H12 -2.8001 -2.6858 2.7243 H 1 noname 0.2104 27 H13 -0.4153 4.2007 -2.3790 H 1 noname 0.2183 28 H14 0.6160 4.5326 2.4257 H 1 noname 0.0535 29 H15 -0.6537 4.3004 1.2000 H 1 noname 0.0535 30 H16 -0.2965 3.0054 2.3678 H 1 noname 0.0535 @BOND 1 6 1 1 2 1 26 1 3 2 11 1 4 2 14 1 5 3 13 1 6 3 27 1 7 4 5 1 8 4 6 1 9 4 15 1 10 4 16 1 11 5 7 1 12 5 17 1 13 5 18 1 14 6 8 1 15 6 19 1 16 7 9 2 17 7 10 1 18 8 20 1 19 8 21 1 20 8 22 1 21 9 11 1 22 9 23 1 23 10 12 2 24 10 24 1 25 11 13 2 26 12 13 1 27 12 25 1 28 14 28 1 29 14 29 1 30 14 30 1 @SUBSTRUCTURE 1 noname 1