@MOLECULE murrayafoline a 29 31 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.2449 -2.0103 -0.0065 O.3 1 UNL1111111111 -0.3229 2 N 0.5696 -1.5335 -0.0057 N.ar 1 UNL1111111111 -0.4018 3 C 0.1425 0.7398 -0.0026 C.ar 1 UNL1111111111 -0.0125 4 C -0.4395 -0.5608 -0.0054 C.ar 1 UNL1111111111 0.0292 5 C 1.5716 0.5432 -0.0007 C.ar 1 UNL1111111111 -0.1172 6 C 1.7970 -0.8745 -0.0020 C.ar 1 UNL1111111111 0.1777 7 C -1.8383 -0.7114 -0.0050 C.ar 1 UNL1111111111 0.2029 8 C -0.6733 1.8719 -0.0014 C.ar 1 UNL1111111111 -0.2088 9 C -2.0506 1.7034 -0.0024 C.ar 1 UNL1111111111 0.0755 10 C -2.6365 0.4187 -0.0035 C.ar 1 UNL1111111111 -0.3027 11 C 2.6601 1.4102 0.0018 C.ar 1 UNL1111111111 -0.0692 12 C 3.0892 -1.4118 0.0013 C.ar 1 UNL1111111111 -0.2463 13 C 3.9404 0.8738 0.0043 C.ar 1 UNL1111111111 -0.2231 14 C 4.1478 -0.5171 0.0046 C.ar 1 UNL1111111111 -0.0825 15 C -2.9547 2.8912 0.0036 C.3 1 UNL1111111111 -0.4511 16 C -3.6464 -2.2418 0.0150 C.3 1 UNL1111111111 -0.1940 17 H 0.4150 -2.5138 -0.0047 H 1 UNL1111111111 0.3266 18 H -0.2245 2.8606 0.0015 H 1 UNL1111111111 0.1627 19 H -3.7179 0.3370 -0.0030 H 1 UNL1111111111 0.1637 20 H 2.5003 2.4861 0.0013 H 1 UNL1111111111 0.1514 21 H 3.2515 -2.4828 0.0008 H 1 UNL1111111111 0.1595 22 H 4.8029 1.5349 0.0059 H 1 UNL1111111111 0.1496 23 H 5.1697 -0.8956 0.0072 H 1 UNL1111111111 0.1446 24 H -3.6845 2.8458 -0.8170 H 1 UNL1111111111 0.1559 25 H -3.5215 2.9500 0.9444 H 1 UNL1111111111 0.1577 26 H -2.4090 3.8381 -0.1036 H 1 UNL1111111111 0.1545 27 H -4.1225 -1.8376 -0.8833 H 1 UNL1111111111 0.1346 28 H -4.0959 -1.8349 0.9256 H 1 UNL1111111111 0.1347 29 H -3.6967 -3.3401 0.0175 H 1 UNL1111111111 0.1512 @BOND 1 1 7 1 2 1 16 1 3 2 4 ar 4 2 6 ar 5 2 17 1 6 3 4 ar 7 3 5 ar 8 3 8 ar 9 4 7 ar 10 5 6 ar 11 5 11 ar 12 6 12 ar 13 7 10 ar 14 8 9 ar 15 8 18 1 16 9 10 ar 17 9 15 1 18 10 19 1 19 11 13 ar 20 11 20 1 21 12 14 ar 22 12 21 1 23 13 14 ar 24 13 22 1 25 14 23 1 26 15 24 1 27 15 25 1 28 15 26 1 29 16 27 1 30 16 28 1 31 16 29 1