@MOLECULE thyronine 35 36 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.8815 -1.6384 -0.4788 O.3 1 UNL1111111111 -0.3101 2 O 3.3042 2.0298 -1.0085 O.3 1 UNL1111111111 -0.5447 3 OXT 4.5441 2.1100 0.8462 O.2 1 UNL1111111111 -0.5118 4 O -5.9848 1.9064 0.1595 O.3 1 UNL1111111111 -0.4698 5 N 5.6921 -0.2701 -0.3868 N.3 1 UNL1111111111 -0.6408 6 C 3.5224 -0.7914 0.8222 C.3 1 UNL1111111111 -0.3324 7 CA 4.2449 -0.0262 -0.3147 C.3 1 UNL1111111111 0.0018 8 C 2.0750 -0.9748 0.4947 C.ar 1 UNL1111111111 -0.0603 9 C 1.1101 -0.1434 1.0643 C.ar 1 UNL1111111111 -0.0969 10 C 1.6913 -1.9871 -0.3930 C.ar 1 UNL1111111111 -0.1106 11 C -0.5948 -1.3230 -0.1320 C.ar 1 UNL1111111111 0.2372 12 C -0.2377 -0.3105 0.7556 C.ar 1 UNL1111111111 -0.2624 13 C 0.3546 -2.1708 -0.7168 C.ar 1 UNL1111111111 -0.2278 14 C 4.0864 1.4657 -0.0600 C.2 1 UNL1111111111 0.6332 15 C -2.8547 -0.6873 -0.2430 C.ar 1 UNL1111111111 0.1266 16 C -2.8006 0.5684 -0.8541 C.ar 1 UNL1111111111 -0.1535 17 C -3.9423 -1.1108 0.5185 C.ar 1 UNL1111111111 -0.1265 18 C -3.8758 1.4313 -0.7007 C.ar 1 UNL1111111111 -0.2072 19 C -5.0265 -0.2502 0.6706 C.ar 1 UNL1111111111 -0.2757 20 C -4.9736 1.0040 0.0592 C.ar 1 UNL1111111111 0.2646 21 H 3.6560 -0.2634 1.7904 H 1 UNL1111111111 0.1692 22 H 4.0079 -1.7772 0.9747 H 1 UNL1111111111 0.1588 23 HA 3.7950 -0.2979 -1.3111 H 1 UNL1111111111 0.1864 24 H 1.4067 0.6438 1.7580 H 1 UNL1111111111 0.1575 25 H 2.4457 -2.6360 -0.8359 H 1 UNL1111111111 0.1508 26 H -0.9910 0.3309 1.2059 H 1 UNL1111111111 0.1730 27 H 0.0364 -2.9501 -1.4045 H 1 UNL1111111111 0.1727 28 H1 5.9081 -1.2264 -0.6131 H 1 UNL1111111111 0.2614 29 H2 6.1764 0.0026 0.4556 H 1 UNL1111111111 0.2675 30 H -1.9291 0.8538 -1.4426 H 1 UNL1111111111 0.1741 31 H -3.9378 -2.0998 0.9747 H 1 UNL1111111111 0.1727 32 H -3.8859 2.4192 -1.1567 H 1 UNL1111111111 0.1794 33 H -5.8910 -0.5527 1.2524 H 1 UNL1111111111 0.1636 34 H 3.1783 3.0051 -0.8925 H 1 UNL1111111111 0.3532 35 H -6.7394 1.5655 0.6959 H 1 UNL1111111111 0.3272 @BOND 1 1 11 1 2 1 15 1 3 2 14 1 4 2 34 1 5 3 14 2 6 4 20 1 7 4 35 1 8 5 7 1 9 5 28 1 10 5 29 1 11 6 7 1 12 6 8 1 13 6 21 1 14 6 22 1 15 7 14 1 16 7 23 1 17 8 9 ar 18 8 10 ar 19 9 12 ar 20 9 24 1 21 10 13 ar 22 10 25 1 23 11 12 ar 24 11 13 ar 25 12 26 1 26 13 27 1 27 15 16 ar 28 15 17 ar 29 16 18 ar 30 16 30 1 31 17 19 ar 32 17 31 1 33 18 20 ar 34 18 32 1 35 19 20 ar 36 19 33 1