@MOLECULE gephyrotoxin 50 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.2713 2.3660 0.0535 O.3 1 UNL1111111111 -0.5532 2 N -0.7555 -0.9755 -0.1546 N.3 1 UNL1111111111 -0.5086 3 C 0.4651 -0.4348 0.4524 C.3 1 UNL1111111111 0.0640 4 C 1.5906 -0.6602 -0.5975 C.3 1 UNL1111111111 -0.1309 5 C -0.6972 -2.4360 -0.4073 C.3 1 UNL1111111111 0.0699 6 C -2.0533 -0.6607 0.4857 C.3 1 UNL1111111111 0.0794 7 C 2.9344 -0.1040 -0.0896 C.3 1 UNL1111111111 -0.1030 8 C 1.7099 -2.1447 -0.9949 C.3 1 UNL1111111111 -0.2765 9 C 0.3558 -2.6707 -1.5002 C.3 1 UNL1111111111 -0.2905 10 C 0.8395 -1.0290 1.8286 C.3 1 UNL1111111111 -0.3286 11 C -2.1519 -2.7825 -0.7852 C.3 1 UNL1111111111 -0.2893 12 C -2.9889 -1.8492 0.1124 C.3 1 UNL1111111111 -0.2926 13 C 3.2784 -0.6562 1.3059 C.3 1 UNL1111111111 -0.2799 14 C 2.1536 -0.4200 2.3215 C.3 1 UNL1111111111 -0.2565 15 C -2.5474 0.6723 -0.1064 C.3 1 UNL1111111111 -0.3577 16 C 2.9298 1.4411 -0.0517 C.3 1 UNL1111111111 -0.3114 17 C -3.7254 1.2267 0.6900 C.3 1 UNL1111111111 0.0065 18 C 2.5009 2.0201 -1.3577 C.2 1 UNL1111111111 -0.0783 19 C 1.4120 2.7910 -1.5107 C.2 1 UNL1111111111 -0.1833 20 C 0.5459 3.1360 -0.4583 C.1 1 UNL1111111111 -0.0281 21 C -0.2057 3.4282 0.4473 C.1 1 UNL1111111111 -0.2453 22 H 0.3126 0.6723 0.5732 H 1 UNL1111111111 0.1425 23 H 1.2868 -0.0959 -1.5172 H 1 UNL1111111111 0.1549 24 H -0.4102 -3.0150 0.5074 H 1 UNL1111111111 0.1094 25 H -1.9678 -0.5732 1.5947 H 1 UNL1111111111 0.1107 26 H 3.7329 -0.4278 -0.8016 H 1 UNL1111111111 0.1314 27 H 2.0539 -2.7473 -0.1356 H 1 UNL1111111111 0.1370 28 H 2.4763 -2.2625 -1.7814 H 1 UNL1111111111 0.1332 29 H 0.0638 -2.1379 -2.4253 H 1 UNL1111111111 0.1550 30 H 0.4187 -3.7410 -1.7541 H 1 UNL1111111111 0.1333 31 H 0.9355 -2.1274 1.7601 H 1 UNL1111111111 0.1436 32 H 0.0299 -0.8367 2.5541 H 1 UNL1111111111 0.1356 33 H -2.3816 -3.8423 -0.6179 H 1 UNL1111111111 0.1339 34 H -2.3403 -2.5734 -1.8516 H 1 UNL1111111111 0.1500 35 H -3.8933 -1.5032 -0.4099 H 1 UNL1111111111 0.1483 36 H -3.3281 -2.3724 1.0189 H 1 UNL1111111111 0.1332 37 H 4.2165 -0.1989 1.6705 H 1 UNL1111111111 0.1332 38 H 3.4831 -1.7413 1.2279 H 1 UNL1111111111 0.1387 39 H 2.4311 -0.8606 3.2977 H 1 UNL1111111111 0.1338 40 H 2.0244 0.6632 2.5072 H 1 UNL1111111111 0.1367 41 H -2.8250 0.5324 -1.1698 H 1 UNL1111111111 0.1692 42 H -1.7142 1.4031 -0.1307 H 1 UNL1111111111 0.1577 43 H 2.2792 1.7913 0.7772 H 1 UNL1111111111 0.1612 44 H 3.9458 1.8066 0.2055 H 1 UNL1111111111 0.1508 45 H -4.5840 0.5305 0.7194 H 1 UNL1111111111 0.1359 46 H -3.4414 1.5066 1.7201 H 1 UNL1111111111 0.1114 47 H 3.1388 1.7695 -2.2059 H 1 UNL1111111111 0.1450 48 H -3.5682 3.0001 -0.1850 H 1 UNL1111111111 0.3125 49 H 1.1360 3.1932 -2.4930 H 1 UNL1111111111 0.1694 50 H -0.8366 3.6847 1.2161 H 1 UNL1111111111 0.1861 @BOND 1 1 17 1 2 1 48 1 3 2 3 1 4 2 5 1 5 2 6 1 6 3 4 1 7 3 10 1 8 3 22 1 9 4 7 1 10 4 8 1 11 4 23 1 12 5 9 1 13 5 11 1 14 5 24 1 15 6 12 1 16 6 15 1 17 6 25 1 18 7 13 1 19 7 16 1 20 7 26 1 21 8 9 1 22 8 27 1 23 8 28 1 24 9 29 1 25 9 30 1 26 10 14 1 27 10 31 1 28 10 32 1 29 11 12 1 30 11 33 1 31 11 34 1 32 12 35 1 33 12 36 1 34 13 14 1 35 13 37 1 36 13 38 1 37 14 39 1 38 14 40 1 39 15 17 1 40 15 41 1 41 15 42 1 42 16 18 1 43 16 43 1 44 16 44 1 45 17 45 1 46 17 46 1 47 18 19 2 48 18 47 1 49 19 20 1 50 19 49 1 51 20 21 3 52 21 50 1