@MOLECULE stachyflin 59 63 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.0360 -0.3560 0.7393 O.3 1 UNL1111111111 -0.3715 2 O 2.2475 -3.8076 0.2479 O.3 1 UNL1111111111 -0.5720 3 O -2.2445 3.2853 -1.2737 O.3 1 UNL1111111111 -0.4694 4 O -5.7350 -0.8201 -0.0571 O.2 1 UNL1111111111 -0.5031 5 N -3.9657 -2.0113 0.7818 N.am 1 UNL1111111111 -0.6158 6 C 1.3405 0.2334 0.5058 C.3 1 UNL1111111111 0.2585 7 C 1.2615 1.7832 0.5941 C.3 1 UNL1111111111 0.0121 8 C 1.8062 -0.2365 -0.8922 C.3 1 UNL1111111111 -0.1742 9 C 1.7428 -1.7865 -1.0585 C.3 1 UNL1111111111 0.0391 10 C 2.5942 2.4736 0.1848 C.3 1 UNL1111111111 -0.0938 11 C 2.1115 -0.4172 1.6739 C.3 1 UNL1111111111 -0.3094 12 C 3.1928 0.3740 -1.1500 C.3 1 UNL1111111111 -0.2713 13 C 3.1264 1.9042 -1.1430 C.3 1 UNL1111111111 -0.2897 14 C 1.7491 -2.4818 0.3302 C.3 1 UNL1111111111 0.1472 15 C 0.1769 2.2988 -0.3933 C.3 1 UNL1111111111 -0.2729 16 C 2.6916 -1.7825 1.3119 C.3 1 UNL1111111111 -0.2987 17 C 0.8345 2.2115 2.0044 C.3 1 UNL1111111111 -0.4581 18 C 0.4284 -2.1522 -1.7755 C.3 1 UNL1111111111 -0.4705 19 C 2.9012 -2.3291 -1.9055 C.3 1 UNL1111111111 -0.4498 20 C -1.0846 1.5253 -0.2904 C.ar 1 UNL1111111111 -0.1958 21 C 3.7047 2.4385 1.2398 C.3 1 UNL1111111111 -0.4533 22 C -1.0673 0.2409 0.2676 C.ar 1 UNL1111111111 0.2817 23 C -2.2539 -0.4785 0.3923 C.ar 1 UNL1111111111 -0.1917 24 C -2.3068 2.0404 -0.7350 C.ar 1 UNL1111111111 0.3034 25 C -3.4553 0.0826 -0.0659 C.ar 1 UNL1111111111 -0.0190 26 C -3.5173 1.3363 -0.6379 C.ar 1 UNL1111111111 -0.2995 27 C -2.5047 -1.8440 0.9701 C.3 1 UNL1111111111 -0.0273 28 C -4.5556 -0.9013 0.1839 C.2 1 UNL1111111111 0.5855 29 H 1.1024 0.1979 -1.6482 H 1 UNL1111111111 0.1568 30 H 2.3505 3.5571 0.0185 H 1 UNL1111111111 0.1355 31 H 1.4168 -0.5231 2.5362 H 1 UNL1111111111 0.1646 32 H 2.9178 0.2521 2.0236 H 1 UNL1111111111 0.1573 33 H 3.5850 0.0429 -2.1307 H 1 UNL1111111111 0.1430 34 H 3.9182 0.0167 -0.3964 H 1 UNL1111111111 0.1453 35 H 4.1326 2.3186 -1.3466 H 1 UNL1111111111 0.1401 36 H 2.4948 2.2528 -1.9829 H 1 UNL1111111111 0.1378 37 H 0.7184 -2.5503 0.7498 H 1 UNL1111111111 0.1295 38 H 0.5462 2.2652 -1.4412 H 1 UNL1111111111 0.1583 39 H -0.0162 3.3775 -0.2004 H 1 UNL1111111111 0.1673 40 H 3.7016 -1.6946 0.8717 H 1 UNL1111111111 0.1478 41 H 2.8235 -2.4106 2.2148 H 1 UNL1111111111 0.1574 42 H 1.5409 1.8926 2.7763 H 1 UNL1111111111 0.1469 43 H 0.7401 3.3008 2.0776 H 1 UNL1111111111 0.1480 44 H -0.1438 1.7837 2.2635 H 1 UNL1111111111 0.1612 45 H -0.4454 -1.7469 -1.2505 H 1 UNL1111111111 0.1587 46 H 0.2955 -3.2352 -1.8500 H 1 UNL1111111111 0.1393 47 H 0.4067 -1.7523 -2.7955 H 1 UNL1111111111 0.1501 48 H 2.9745 -1.8143 -2.8688 H 1 UNL1111111111 0.1423 49 H 2.7748 -3.3966 -2.1231 H 1 UNL1111111111 0.1467 50 H 3.8605 -2.2369 -1.3827 H 1 UNL1111111111 0.1521 51 H 4.5522 3.0611 0.9279 H 1 UNL1111111111 0.1432 52 H 3.3656 2.8258 2.2061 H 1 UNL1111111111 0.1459 53 H 4.0961 1.4265 1.3952 H 1 UNL1111111111 0.1487 54 H 1.7718 -4.3142 -0.4345 H 1 UNL1111111111 0.3125 55 H -4.4563 1.7504 -0.9893 H 1 UNL1111111111 0.1822 56 H -1.9439 -2.6395 0.4325 H 1 UNL1111111111 0.1516 57 H -2.2339 -1.8972 2.0472 H 1 UNL1111111111 0.1543 58 H -4.4456 -2.8307 1.0764 H 1 UNL1111111111 0.3236 59 H -3.1346 3.6117 -1.5548 H 1 UNL1111111111 0.3318 @BOND 1 1 6 1 2 1 22 1 3 2 14 1 4 2 54 1 5 3 24 1 6 3 59 1 7 4 28 2 8 5 27 1 9 5 28 am 10 5 58 1 11 6 7 1 12 6 8 1 13 6 11 1 14 7 10 1 15 7 15 1 16 7 17 1 17 8 9 1 18 8 12 1 19 8 29 1 20 9 14 1 21 9 18 1 22 9 19 1 23 10 13 1 24 10 21 1 25 10 30 1 26 11 16 1 27 11 31 1 28 11 32 1 29 12 13 1 30 12 33 1 31 12 34 1 32 13 35 1 33 13 36 1 34 14 16 1 35 14 37 1 36 15 20 1 37 15 38 1 38 15 39 1 39 16 40 1 40 16 41 1 41 17 42 1 42 17 43 1 43 17 44 1 44 18 45 1 45 18 46 1 46 18 47 1 47 19 48 1 48 19 49 1 49 19 50 1 50 20 22 ar 51 20 24 ar 52 21 51 1 53 21 52 1 54 21 53 1 55 22 23 ar 56 23 25 ar 57 23 27 1 58 24 26 ar 59 25 26 ar 60 25 28 1 61 26 55 1 62 27 56 1 63 27 57 1