@MOLECULE DB03548 30 30 1 SMALL USER_CHARGES @ATOM 1 O1 0.1560 -0.0415 3.0769 O.2 1 noname -0.2335 2 C1 -0.2491 0.4363 1.9952 C.2 1 noname 0.1662 3 O2 -0.9257 1.6046 1.9846 O.3 1 noname -0.2014 4 C2 0.0215 -0.3020 0.6846 C.3 1 noname 0.2572 5 O3 1.4736 -0.4333 0.5034 O.3 1 noname -0.3327 6 O4 -0.5098 -1.6214 0.8414 O.3 1 noname -0.3575 7 C3 -0.7717 0.4825 -0.4130 C.3 1 noname 0.0403 8 C4 1.9682 -0.5641 -0.8538 C.3 1 noname 0.1180 9 C5 0.1985 1.3505 -1.2826 C.3 1 noname 0.0883 10 C6 1.4794 0.6157 -1.7577 C.3 1 noname 0.1091 11 C7 3.4978 -0.5950 -0.8384 C.3 1 noname 0.1060 12 O5 0.5626 2.5189 -0.5625 O.3 1 noname -0.3900 13 O6 2.5317 1.5554 -1.9194 O.3 1 noname -0.3875 14 O7 3.9412 -1.6999 -0.0644 O.3 1 noname -0.3878 15 C8 4.0279 0.7027 -0.2253 C.3 1 noname 0.0718 16 O8 5.4475 0.6741 -0.2110 O.3 1 noname -0.3934 17 H1 -1.0896 1.8876 2.8872 H 1 noname 0.2215 18 H2 -0.5915 -1.8244 1.7761 H 1 noname 0.2141 19 H3 -1.2003 -0.2656 -1.0798 H 1 noname 0.0355 20 H4 -1.4229 1.1797 0.1143 H 1 noname 0.0355 21 H5 1.5626 -1.5142 -1.2017 H 1 noname 0.0661 22 H6 -0.3369 1.6951 -2.1673 H 1 noname 0.0630 23 H7 1.2677 0.2131 -2.7482 H 1 noname 0.0656 24 H8 3.9027 -0.7578 -1.8372 H 1 noname 0.0653 25 H9 0.5081 2.3439 0.3799 H 1 noname 0.2105 26 H10 2.8457 1.8358 -1.0567 H 1 noname 0.2106 27 H11 3.8574 -1.4910 0.8688 H 1 noname 0.2106 28 H12 3.7603 1.5242 -0.8899 H 1 noname 0.0591 29 H13 3.7270 0.7289 0.8221 H 1 noname 0.0591 30 H14 5.7583 0.6678 0.6973 H 1 noname 0.2101 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 4 5 1 5 4 6 1 6 4 7 1 7 8 5 1 8 7 9 1 9 8 10 1 10 8 11 1 11 9 12 1 12 9 10 1 13 10 13 1 14 11 14 1 15 11 15 1 16 15 16 1 17 3 17 1 18 6 18 1 19 7 19 1 20 7 20 1 21 8 21 1 22 9 22 1 23 10 23 1 24 11 24 1 25 12 25 1 26 13 26 1 27 14 27 1 28 15 28 1 29 15 29 1 30 16 30 1 @SUBSTRUCTURE 1 noname 1