@MOLECULE DB01631 32 31 1 SMALL USER_CHARGES @ATOM 1 O1 4.2740 -2.0432 0.2070 O.2 1 noname -0.2545 2 C1 3.2614 -1.3601 -0.0584 C.2 1 noname 0.1390 3 O2 3.3877 -0.0444 -0.3329 O.3 1 noname -0.2096 4 C2 1.9420 -1.9852 -0.0714 C.3 1 noname 0.0337 5 C3 4.4399 0.7059 0.2557 C.3 1 noname 0.0453 6 C4 0.8844 -0.9367 -0.4221 C.3 1 noname -0.0439 7 C5 -0.4982 -1.5918 -0.4358 C.3 1 noname -0.0528 8 C6 -1.5559 -0.5433 -0.7865 C.3 1 noname -0.0533 9 C7 -2.9385 -1.1984 -0.8002 C.3 1 noname -0.0533 10 C8 -3.9961 -0.1499 -1.1509 C.3 1 noname -0.0535 11 C9 -5.3787 -0.8049 -1.1646 C.3 1 noname -0.0561 12 C10 -6.4364 0.2435 -1.5153 C.3 1 noname -0.0654 13 H1 1.9638 -2.7145 -0.8812 H 1 noname 0.0372 14 H2 1.7551 -2.3121 0.9515 H 1 noname 0.0372 15 H3 4.3623 0.6506 1.3415 H 1 noname 0.0536 16 H4 5.3992 0.2969 -0.0614 H 1 noname 0.0536 17 H5 4.3658 1.7462 -0.0614 H 1 noname 0.0536 18 H6 0.8802 -0.2100 0.3902 H 1 noname 0.0272 19 H7 1.0890 -0.6124 -1.4425 H 1 noname 0.0272 20 H8 -0.4941 -2.3185 -1.2482 H 1 noname 0.0267 21 H9 -0.7029 -1.9161 0.5845 H 1 noname 0.0267 22 H10 -1.5600 0.1834 0.0258 H 1 noname 0.0266 23 H11 -1.3512 -0.2190 -1.8069 H 1 noname 0.0266 24 H12 -2.9343 -1.9251 -1.6126 H 1 noname 0.0266 25 H13 -3.1431 -1.5227 0.2201 H 1 noname 0.0266 26 H14 -4.0003 0.5768 -0.3386 H 1 noname 0.0266 27 H15 -3.7915 0.1744 -2.1713 H 1 noname 0.0266 28 H16 -5.3746 -1.5317 -1.9770 H 1 noname 0.0264 29 H17 -5.5834 -1.1292 -0.1443 H 1 noname 0.0264 30 H18 -6.8548 0.6584 -0.5983 H 1 noname 0.0230 31 H19 -5.9773 1.0416 -2.0988 H 1 noname 0.0230 32 H20 -7.2304 -0.2225 -2.0988 H 1 noname 0.0230 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 4 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 4 13 1 13 4 14 1 14 5 15 1 15 5 16 1 16 5 17 1 17 6 18 1 18 6 19 1 19 7 20 1 20 7 21 1 21 8 22 1 22 8 23 1 23 9 24 1 24 9 25 1 25 10 26 1 26 10 27 1 27 11 28 1 28 11 29 1 29 12 30 1 30 12 31 1 31 12 32 1 @SUBSTRUCTURE 1 noname 1