@MOLECULE lutisan 49 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.2759 0.5106 -1.1005 O.3 1 UNL1111111111 -0.5420 2 C -1.9548 0.3040 -0.5369 C.3 1 UNL1111111111 0.0671 3 C -1.2189 -0.7919 0.2828 C.3 1 UNL1111111111 -0.1482 4 C 0.2474 -0.8863 -0.1320 C.3 1 UNL1111111111 -0.1116 5 C 0.9154 0.4767 0.1756 C.3 1 UNL1111111111 -0.1242 6 C -1.3366 1.6566 -0.1757 C.3 1 UNL1111111111 -0.2915 7 C -3.4284 0.0666 -0.0581 C.3 1 UNL1111111111 0.2903 8 C -2.1049 -2.0367 0.1188 C.3 1 UNL1111111111 -0.2721 9 C 0.1673 1.6448 -0.4987 C.3 1 UNL1111111111 -0.2770 10 C 2.3911 0.4622 -0.2911 C.3 1 UNL1111111111 -0.1268 11 C -3.5468 -1.4822 0.1042 C.3 1 UNL1111111111 -0.3220 12 C 0.9715 -1.9882 0.6598 C.3 1 UNL1111111111 -0.2789 13 C -1.9121 0.0876 -2.0524 C.3 1 UNL1111111111 -0.4424 14 C 3.0711 -0.8570 -0.0451 C.2 1 UNL1111111111 0.0047 15 C 3.1663 1.5839 0.4325 C.3 1 UNL1111111111 -0.2723 16 C 2.4373 -1.9533 0.3857 C.2 1 UNL1111111111 -0.2216 17 C 4.5342 -0.8869 -0.3797 C.3 1 UNL1111111111 -0.2854 18 C 4.6353 1.5990 -0.0022 C.3 1 UNL1111111111 -0.2670 19 C -3.7585 0.7515 1.1707 C.1 1 UNL1111111111 -0.1293 20 C 5.2874 0.2508 0.3243 C.3 1 UNL1111111111 -0.2572 21 C -4.0418 1.3273 2.1966 C.1 1 UNL1111111111 -0.1930 22 H -1.2486 -0.4968 1.3639 H 1 UNL1111111111 0.1425 23 H 0.3327 -1.1089 -1.2191 H 1 UNL1111111111 0.1457 24 H 0.8899 0.6286 1.2808 H 1 UNL1111111111 0.1393 25 H -1.4891 1.8857 0.8945 H 1 UNL1111111111 0.1421 26 H -1.8398 2.4696 -0.7310 H 1 UNL1111111111 0.1472 27 H -1.9528 -2.7565 0.9362 H 1 UNL1111111111 0.1359 28 H -1.8722 -2.5710 -0.8167 H 1 UNL1111111111 0.1436 29 H 0.3096 1.5981 -1.5948 H 1 UNL1111111111 0.1411 30 H 0.6139 2.6047 -0.1784 H 1 UNL1111111111 0.1343 31 H 2.4214 0.6543 -1.3938 H 1 UNL1111111111 0.1443 32 H -4.1246 -1.8965 -0.7383 H 1 UNL1111111111 0.1557 33 H -4.0883 -1.7502 1.0223 H 1 UNL1111111111 0.1429 34 H 0.5485 -2.9774 0.3957 H 1 UNL1111111111 0.1428 35 H 0.7919 -1.8648 1.7481 H 1 UNL1111111111 0.1481 36 H -2.4634 0.8850 -2.5700 H 1 UNL1111111111 0.1600 37 H -0.8889 0.0822 -2.4390 H 1 UNL1111111111 0.1441 38 H -2.3842 -0.8581 -2.3407 H 1 UNL1111111111 0.1504 39 H 3.1000 1.4346 1.5269 H 1 UNL1111111111 0.1417 40 H 2.6987 2.5627 0.2250 H 1 UNL1111111111 0.1336 41 H 2.9605 -2.8893 0.5587 H 1 UNL1111111111 0.1429 42 H 4.9895 -1.8592 -0.1089 H 1 UNL1111111111 0.1393 43 H 4.6573 -0.7967 -1.4791 H 1 UNL1111111111 0.1466 44 H 5.1749 2.4184 0.5057 H 1 UNL1111111111 0.1313 45 H 4.7115 1.8076 -1.0855 H 1 UNL1111111111 0.1363 46 H -5.2078 0.5382 -0.8053 H 1 UNL1111111111 0.3127 47 H 5.2809 0.0827 1.4180 H 1 UNL1111111111 0.1395 48 H 6.3487 0.2507 0.0186 H 1 UNL1111111111 0.1297 49 H -4.2806 1.8169 3.0687 H 1 UNL1111111111 0.1867 @BOND 1 1 7 1 2 1 46 1 3 2 3 1 4 2 6 1 5 2 7 1 6 2 13 1 7 3 4 1 8 3 8 1 9 3 22 1 10 4 5 1 11 4 12 1 12 4 23 1 13 5 9 1 14 5 10 1 15 5 24 1 16 6 9 1 17 6 25 1 18 6 26 1 19 7 11 1 20 7 19 1 21 8 11 1 22 8 27 1 23 8 28 1 24 9 29 1 25 9 30 1 26 10 14 1 27 10 15 1 28 10 31 1 29 11 32 1 30 11 33 1 31 12 16 1 32 12 34 1 33 12 35 1 34 13 36 1 35 13 37 1 36 13 38 1 37 14 16 2 38 14 17 1 39 15 18 1 40 15 39 1 41 15 40 1 42 16 41 1 43 17 20 1 44 17 42 1 45 17 43 1 46 18 20 1 47 18 44 1 48 18 45 1 49 19 21 3 50 20 47 1 51 20 48 1 52 21 49 1