@MOLECULE 71587390 30 30 1 SMALL USER_CHARGES @ATOM 1 O1 0.0000 0.0000 0.0000 O.3 1 noname -0.3615 2 O2 1.0335 2.9767 1.5746 O.2 1 noname -0.2943 3 C1 1.4200 0.0000 0.0000 C.3 1 noname 0.0917 4 C2 0.5957 1.2890 0.0000 C.3 1 noname 0.1393 5 C3 1.9300 -0.2792 -1.4152 C.3 1 noname -0.0237 6 C4 3.4600 -0.2792 -1.4152 C.3 1 noname -0.0507 7 C5 3.9700 -0.5585 -2.8304 C.3 1 noname -0.0532 8 C6 5.5000 -0.5585 -2.8304 C.3 1 noname -0.0533 9 C7 6.0100 -0.8377 -4.2456 C.3 1 noname -0.0535 10 C8 0.5580 1.8425 1.3505 C.2 1 noname 0.1452 11 C9 7.5400 -0.8377 -4.2456 C.3 1 noname -0.0561 12 C10 8.0500 -1.1169 -5.6609 C.3 1 noname -0.0654 13 H1 1.8023 -0.4390 0.9215 H 1 noname 0.0635 14 H2 0.1616 1.7961 -0.8617 H 1 noname 0.0710 15 H3 1.5667 -1.2518 -1.7470 H 1 noname 0.0294 16 H4 1.5667 0.4945 -2.0916 H 1 noname 0.0294 17 H5 3.8233 -1.0529 -0.7388 H 1 noname 0.0267 18 H6 3.8233 0.6934 -1.0834 H 1 noname 0.0267 19 H7 3.6067 -1.5311 -3.1623 H 1 noname 0.0266 20 H8 3.6067 0.2152 -3.5068 H 1 noname 0.0266 21 H9 5.8633 -1.3321 -2.1540 H 1 noname 0.0266 22 H10 5.8633 0.4141 -2.4986 H 1 noname 0.0266 23 H11 5.6467 -1.8103 -4.5775 H 1 noname 0.0266 24 H12 5.6467 -0.0640 -4.9220 H 1 noname 0.0266 25 H13 0.1437 1.3038 2.1111 H 1 noname 0.1071 26 H14 7.9033 -1.6114 -3.5693 H 1 noname 0.0264 27 H15 7.9033 0.1349 -3.9138 H 1 noname 0.0264 28 H16 9.1400 -1.1169 -5.6609 H 1 noname 0.0230 29 H17 7.6867 -2.0895 -5.9927 H 1 noname 0.0230 30 H18 7.6867 -0.3432 -6.3372 H 1 noname 0.0230 @BOND 1 1 3 1 2 1 4 1 3 2 10 2 4 3 4 1 5 3 5 1 6 3 13 1 7 4 10 1 8 4 14 1 9 5 6 1 10 5 15 1 11 5 16 1 12 6 7 1 13 6 17 1 14 6 18 1 15 7 8 1 16 7 19 1 17 7 20 1 18 8 9 1 19 8 21 1 20 8 22 1 21 9 11 1 22 9 23 1 23 9 24 1 24 10 25 1 25 11 12 1 26 11 26 1 27 11 27 1 28 12 28 1 29 12 29 1 30 12 30 1 @SUBSTRUCTURE 1 noname 1