@MOLECULE C5X 34 35 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.1500 0.1510 0.9440 C.3 1 UNL1 0.1875 2 C -1.0570 -0.2440 2.1110 C.3 1 UNL1 0.1341 3 C -0.4470 0.2740 3.4190 C.3 1 UNL1 0.1137 4 C 0.9990 -0.2230 3.5160 C.3 1 UNL1 0.1069 5 C 1.7500 0.1700 2.2420 C.3 1 UNL1 0.0792 6 O -0.7280 -0.3030 -0.2800 O.3 1 UNL1 -0.3487 7 O -2.3530 0.3280 1.9260 O.3 1 UNL1 -0.3841 8 O -1.2040 -0.2140 4.5280 O.3 1 UNL1 -0.3864 9 O 1.6340 0.3710 4.6490 O.3 1 UNL1 -0.3869 10 O 1.1360 -0.4410 1.1100 O.3 1 UNL1 -0.3461 11 C 0.1540 0.0990 -1.3290 C.3 1 UNL1 0.0508 12 C -0.4090 -0.3590 -2.6750 C.3 1 UNL1 -0.0269 13 C 0.5360 0.0710 -3.7980 C.3 1 UNL1 -0.0224 14 C -0.0270 -0.3870 -5.1440 C.3 1 UNL1 0.0821 15 C 0.7570 -0.0250 -6.4060 C.3 1 UNL1 0.0743 16 O -0.4710 0.6180 -6.0570 O.3 1 UNL1 -0.3717 17 H -0.0480 1.2360 0.9160 H 1 UNL1 0.0937 18 H -1.1410 -1.3300 2.1560 H 1 UNL1 0.0671 19 H -0.4570 1.3640 3.4200 H 1 UNL1 0.0647 20 H 1.0050 -1.3080 3.6220 H 1 UNL1 0.0643 21 H 1.7250 1.2540 2.1270 H 1 UNL1 0.0587 22 H 2.7860 -0.1600 2.3150 H 1 UNL1 0.0587 23 H -2.6960 -0.0200 1.0910 H 1 UNL1 0.2101 24 H -0.7860 0.1350 5.3270 H 1 UNL1 0.2100 25 H 2.5400 0.0340 4.6710 H 1 UNL1 0.2100 26 H 0.2500 1.1840 -1.3260 H 1 UNL1 0.0561 27 H 1.1340 -0.3520 -1.1720 H 1 UNL1 0.0561 28 H -0.5050 -1.4450 -2.6780 H 1 UNL1 0.0288 29 H -1.3880 0.0910 -2.8310 H 1 UNL1 0.0288 30 H 0.6320 1.1570 -3.7950 H 1 UNL1 0.0292 31 H 1.5160 -0.3800 -3.6410 H 1 UNL1 0.0292 32 H -0.5620 -1.3360 -5.1340 H 1 UNL1 0.0619 33 H 1.6800 0.5420 -6.2850 H 1 UNL1 0.0586 34 H 0.7420 -0.7330 -7.2340 H 1 UNL1 0.0586 @BOND 1 1 2 1 2 1 6 1 3 1 10 1 4 1 17 1 5 2 3 1 6 2 7 1 7 2 18 1 8 3 4 1 9 3 8 1 10 3 19 1 11 4 5 1 12 4 9 1 13 4 20 1 14 5 10 1 15 5 21 1 16 5 22 1 17 6 11 1 18 7 23 1 19 8 24 1 20 9 25 1 21 11 12 1 22 11 26 1 23 11 27 1 24 12 13 1 25 12 28 1 26 12 29 1 27 13 14 1 28 13 30 1 29 13 31 1 30 14 15 1 31 14 16 1 32 14 32 1 33 15 16 1 34 15 33 1 35 15 34 1