@MOLECULE FB 41 42 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.6160 -0.0940 -1.0960 O.2 1 UNL1 -0.2963 2 C -4.4520 -0.2110 -0.7750 C.2 1 UNL1 0.1432 3 C -3.6390 0.9790 -0.5270 C.2 1 UNL1 -0.0183 4 C -2.3880 0.8520 -0.0810 C.2 1 UNL1 -0.0057 5 C -1.9890 -0.4470 0.5360 C.3 1 UNL1 0.2342 6 O -3.1500 -1.2260 0.8350 O.3 1 UNL1 -0.3609 7 N -1.2800 -0.0880 1.7870 N.am 1 UNL1 -0.2729 8 C -0.0430 0.4320 1.6330 C.2 1 UNL1 0.2692 9 O 0.4770 1.0300 2.5510 O.2 1 UNL1 -0.2706 10 C -1.4600 2.0230 -0.2300 C.3 1 UNL1 -0.0029 11 C -0.3470 1.6570 -1.2140 C.3 1 UNL1 0.0546 12 O 0.9140 1.3700 -0.4740 O.3 1 UNL1 -0.3456 13 C 0.6960 0.2600 0.3710 C.3 1 UNL1 0.2428 14 N 0.2550 -0.9040 -0.4170 N.am 1 UNL1 -0.2739 15 C -1.0590 -1.2280 -0.3390 C.2 1 UNL1 0.2706 16 O -1.4860 -2.1610 -0.9860 O.2 1 UNL1 -0.2703 17 C 2.1040 -0.1370 0.8200 C.3 1 UNL1 0.1401 18 O 2.1080 -1.5090 1.2180 O.3 1 UNL1 -0.3838 19 C 3.0830 0.0610 -0.3390 C.3 1 UNL1 0.1167 20 C 2.5360 -0.6260 -1.5920 C.3 1 UNL1 -0.0313 21 O 3.2440 1.4580 -0.5940 O.3 1 UNL1 -0.3838 22 C 4.4370 -0.5500 0.0270 C.3 1 UNL1 0.0753 23 O 5.3520 -0.3650 -1.0550 O.3 1 UNL1 -0.3921 24 H -4.0160 -1.1940 -0.6720 H 1 UNL1 0.1075 25 H -4.0520 1.9620 -0.7050 H 1 UNL1 0.0651 26 H -2.8430 -2.0210 1.2910 H 1 UNL1 0.2128 27 H -1.6850 -0.2110 2.6600 H 1 UNL1 0.1523 28 H -2.0140 2.8820 -0.6100 H 1 UNL1 0.0334 29 H -1.0240 2.2690 0.7390 H 1 UNL1 0.0334 30 H -0.6430 0.7710 -1.7760 H 1 UNL1 0.0564 31 H -0.1930 2.4850 -1.9050 H 1 UNL1 0.0564 32 H 0.8730 -1.4130 -0.9650 H 1 UNL1 0.1521 33 H 2.4060 0.4870 1.6610 H 1 UNL1 0.0674 34 H 2.0550 -2.0350 0.4080 H 1 UNL1 0.2101 35 H 3.1820 -0.4020 -2.4410 H 1 UNL1 0.0259 36 H 2.5070 -1.7040 -1.4320 H 1 UNL1 0.0259 37 H 1.5290 -0.2620 -1.7960 H 1 UNL1 0.0259 38 H 3.5900 1.8520 0.2190 H 1 UNL1 0.2104 39 H 4.8270 -0.0610 0.9200 H 1 UNL1 0.0586 40 H 4.3140 -1.6160 0.2210 H 1 UNL1 0.0586 41 H 6.1900 -0.7640 -0.7840 H 1 UNL1 0.2095 @BOND 1 1 2 2 2 2 3 1 3 2 24 1 4 3 4 2 5 3 25 1 6 4 5 1 7 4 10 1 8 5 6 1 9 5 7 1 10 5 15 1 11 6 26 1 12 7 8 am 13 7 27 1 14 8 9 2 15 8 13 1 16 10 11 1 17 10 28 1 18 10 29 1 19 11 12 1 20 11 30 1 21 11 31 1 22 12 13 1 23 13 14 1 24 13 17 1 25 14 15 am 26 14 32 1 27 15 16 2 28 17 18 1 29 17 19 1 30 17 33 1 31 18 34 1 32 19 20 1 33 19 21 1 34 19 22 1 35 20 35 1 36 20 36 1 37 20 37 1 38 21 38 1 39 22 23 1 40 22 39 1 41 22 40 1 42 23 41 1