@MOLECULE norethynodrel 48 51 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.6457 -0.4178 1.0908 O.3 1 UNL1111111111 -0.5415 2 O 6.1879 -0.3308 -0.0025 O.2 1 UNL1111111111 -0.4777 3 C -2.2382 -0.2850 0.5505 C.3 1 UNL1111111111 0.0251 4 C -1.5398 0.7745 -0.3487 C.3 1 UNL1111111111 -0.1456 5 C -0.0738 0.9205 0.0457 C.3 1 UNL1111111111 -0.1152 6 C 0.6142 -0.4415 -0.2496 C.3 1 UNL1111111111 -0.1198 7 C -3.7217 -0.1209 0.0627 C.3 1 UNL1111111111 0.2936 8 C -1.5772 -1.6409 0.2922 C.3 1 UNL1111111111 -0.2963 9 C -2.4589 2.0016 -0.2553 C.3 1 UNL1111111111 -0.2764 10 C -0.0643 -1.5583 0.5699 C.3 1 UNL1111111111 -0.2711 11 C -3.8827 1.4048 -0.2050 C.3 1 UNL1111111111 -0.2882 12 C 0.6477 2.0195 -0.7403 C.3 1 UNL1111111111 -0.2786 13 C -2.1996 0.0410 2.0463 C.3 1 UNL1111111111 -0.4431 14 C 2.0897 -0.3387 0.0032 C.2 1 UNL1111111111 -0.0527 15 C 2.0777 2.1612 -0.2009 C.3 1 UNL1111111111 -0.2750 16 C 2.7402 0.8361 0.0183 C.2 1 UNL1111111111 -0.0289 17 C 2.8522 -1.6175 0.1809 C.3 1 UNL1111111111 -0.2639 18 C -4.0250 -0.9134 -1.1079 C.1 1 UNL1111111111 -0.1283 19 C 4.2066 0.9208 0.3024 C.3 1 UNL1111111111 -0.3925 20 C 4.2163 -1.5358 -0.5071 C.3 1 UNL1111111111 -0.3755 21 C 4.9829 -0.3220 -0.0603 C.2 1 UNL1111111111 0.4987 22 C -4.2913 -1.5685 -2.0900 C.1 1 UNL1111111111 -0.1920 23 H -1.5753 0.4110 -1.4093 H 1 UNL1111111111 0.1434 24 H 0.0100 1.1484 1.1339 H 1 UNL1111111111 0.1480 25 H 0.4778 -0.6771 -1.3385 H 1 UNL1111111111 0.1480 26 H -1.7455 -1.9621 -0.7536 H 1 UNL1111111111 0.1455 27 H -2.0318 -2.4238 0.9250 H 1 UNL1111111111 0.1391 28 H -2.3299 2.6751 -1.1152 H 1 UNL1111111111 0.1376 29 H -2.2413 2.5972 0.6455 H 1 UNL1111111111 0.1437 30 H 0.1166 -1.3892 1.6474 H 1 UNL1111111111 0.1450 31 H 0.3925 -2.5375 0.3345 H 1 UNL1111111111 0.1353 32 H -4.4856 1.8550 0.6044 H 1 UNL1111111111 0.1652 33 H -4.4350 1.5876 -1.1385 H 1 UNL1111111111 0.1481 34 H 0.1085 2.9794 -0.6516 H 1 UNL1111111111 0.1388 35 H 0.6655 1.7767 -1.8185 H 1 UNL1111111111 0.1421 36 H -2.7331 0.9739 2.2694 H 1 UNL1111111111 0.1578 37 H -2.6847 -0.7459 2.6352 H 1 UNL1111111111 0.1469 38 H -1.1754 0.1485 2.4179 H 1 UNL1111111111 0.1460 39 H 2.0627 2.7242 0.7568 H 1 UNL1111111111 0.1485 40 H 2.6749 2.7792 -0.9025 H 1 UNL1111111111 0.1467 41 H 2.9775 -1.8278 1.2646 H 1 UNL1111111111 0.1544 42 H 2.2929 -2.4837 -0.2277 H 1 UNL1111111111 0.1507 43 H -4.6363 -1.3729 1.3015 H 1 UNL1111111111 0.3152 44 H 4.6717 1.7910 -0.2137 H 1 UNL1111111111 0.1796 45 H 4.3631 1.1291 1.3874 H 1 UNL1111111111 0.1849 46 H 4.0905 -1.4875 -1.6101 H 1 UNL1111111111 0.1748 47 H 4.8103 -2.4531 -0.3177 H 1 UNL1111111111 0.1727 48 H -4.5189 -2.1236 -2.9255 H 1 UNL1111111111 0.1872 @BOND 1 1 7 1 2 1 43 1 3 2 21 2 4 3 4 1 5 3 7 1 6 3 8 1 7 3 13 1 8 4 5 1 9 4 9 1 10 4 23 1 11 5 6 1 12 5 12 1 13 5 24 1 14 6 10 1 15 6 14 1 16 6 25 1 17 7 11 1 18 7 18 1 19 8 10 1 20 8 26 1 21 8 27 1 22 9 11 1 23 9 28 1 24 9 29 1 25 10 30 1 26 10 31 1 27 11 32 1 28 11 33 1 29 12 15 1 30 12 34 1 31 12 35 1 32 13 36 1 33 13 37 1 34 13 38 1 35 14 16 2 36 14 17 1 37 15 16 1 38 15 39 1 39 15 40 1 40 16 19 1 41 17 20 1 42 17 41 1 43 17 42 1 44 18 22 3 45 19 21 1 46 19 44 1 47 19 45 1 48 20 21 1 49 20 46 1 50 20 47 1 51 22 48 1