@MOLECULE indorenate 34 35 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.2150 1.3253 0.9723 O.3 1 UNL1111111111 -0.4069 2 O 3.9415 1.4365 0.4067 O.3 1 UNL1111111111 -0.3137 3 O -3.5360 -0.7742 0.2367 O.2 1 UNL1111111111 -0.5166 4 N 0.3062 -2.6545 0.1351 N.ar 1 UNL1111111111 -0.3513 5 N -0.6538 0.6430 -2.8159 N.3 1 UNL1111111111 -0.6143 6 C -1.5662 0.4861 -0.4597 C.3 1 UNL1111111111 -0.2108 7 C -0.6078 -0.5970 -0.1658 C.ar 1 UNL1111111111 -0.1836 8 C 0.7994 -0.4229 0.0514 C.ar 1 UNL1111111111 0.0055 9 C 1.3515 -1.7289 0.2360 C.ar 1 UNL1111111111 0.0186 10 C -1.8661 0.5540 -1.9907 C.3 1 UNL1111111111 -0.0898 11 C -0.8725 -1.9624 -0.1017 C.ar 1 UNL1111111111 0.0128 12 C 1.6369 0.6994 0.0994 C.ar 1 UNL1111111111 -0.3002 13 C -2.8650 0.2246 0.2611 C.2 1 UNL1111111111 0.6031 14 C 2.7211 -1.9344 0.4620 C.ar 1 UNL1111111111 -0.1288 15 C 2.9819 0.4739 0.3240 C.ar 1 UNL1111111111 0.2323 16 C 3.5347 -0.8253 0.5032 C.ar 1 UNL1111111111 -0.2143 17 C -4.4179 1.2280 1.7280 C.3 1 UNL1111111111 -0.1697 18 C 3.5225 2.7811 0.2225 C.3 1 UNL1111111111 -0.2008 19 H -1.1419 1.4724 -0.1301 H 1 UNL1111111111 0.1806 20 H -2.4329 -0.3536 -2.3011 H 1 UNL1111111111 0.1578 21 H -2.5114 1.4317 -2.2089 H 1 UNL1111111111 0.1444 22 H -1.8209 -2.4684 -0.2049 H 1 UNL1111111111 0.1883 23 H 0.3981 -3.6370 0.2447 H 1 UNL1111111111 0.3151 24 H 1.2215 1.6905 -0.0247 H 1 UNL1111111111 0.1650 25 H 3.1197 -2.9359 0.5991 H 1 UNL1111111111 0.1598 26 H 4.6062 -0.9122 0.6744 H 1 UNL1111111111 0.1747 27 H -0.0661 -0.1693 -2.6824 H 1 UNL1111111111 0.2565 28 H -0.1082 1.4608 -2.5948 H 1 UNL1111111111 0.2439 29 H -5.2678 1.0396 1.0641 H 1 UNL1111111111 0.1386 30 H -4.4913 2.2118 2.2047 H 1 UNL1111111111 0.1443 31 H -4.3304 0.4290 2.4721 H 1 UNL1111111111 0.1413 32 H 4.4650 3.3345 0.3317 H 1 UNL1111111111 0.1503 33 H 2.8124 3.0792 1.0005 H 1 UNL1111111111 0.1358 34 H 3.1071 2.9280 -0.7789 H 1 UNL1111111111 0.1320 @BOND 1 1 13 1 2 1 17 1 3 2 15 1 4 2 18 1 5 3 13 2 6 4 9 ar 7 4 11 ar 8 4 23 1 9 5 10 1 10 5 27 1 11 5 28 1 12 6 7 1 13 6 10 1 14 6 13 1 15 6 19 1 16 7 8 ar 17 7 11 ar 18 8 9 ar 19 8 12 ar 20 9 14 ar 21 10 20 1 22 10 21 1 23 11 22 1 24 12 15 ar 25 12 24 1 26 14 16 ar 27 14 25 1 28 15 16 ar 29 16 26 1 30 17 29 1 31 17 30 1 32 17 31 1 33 18 32 1 34 18 33 1 35 18 34 1