@MOLECULE astromicin b 56 57 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.3983 -0.5196 -0.1417 O.3 1 UNL1111111111 -0.4881 2 O 2.5209 -0.4716 -1.0353 O.3 1 UNL1111111111 -0.4729 3 O -3.7474 0.0849 1.3241 O.3 1 UNL1111111111 -0.4074 4 O -1.8463 1.3172 -2.2252 O.3 1 UNL1111111111 -0.5773 5 O -1.0558 0.1271 2.1382 O.3 1 UNL1111111111 -0.5458 6 N -3.6855 -0.6096 -1.3504 N.3 1 UNL1111111111 -0.5425 7 N -0.7345 2.9700 -0.1383 N.3 1 UNL1111111111 -0.6360 8 N 0.3659 -3.1639 0.3722 N.3 1 UNL1111111111 -0.6701 9 N 3.7051 2.0399 -1.0523 N.3 1 UNL1111111111 -0.6609 10 C -0.1203 0.6297 -0.7820 C.3 1 UNL1111111111 0.0329 11 C -2.4697 -0.3385 -0.5434 C.3 1 UNL1111111111 -0.0429 12 C -0.3848 1.6332 0.3705 C.3 1 UNL1111111111 -0.0256 13 C -1.3933 0.1779 -1.5248 C.3 1 UNL1111111111 0.1022 14 C -2.7789 0.7398 0.5213 C.3 1 UNL1111111111 0.0289 15 C -1.5219 1.1555 1.3088 C.3 1 UNL1111111111 0.1060 16 C 1.3764 -1.2426 -0.8573 C.3 1 UNL1111111111 0.2864 17 C 1.6319 -2.4973 0.0296 C.3 1 UNL1111111111 0.0248 18 C 3.1252 -0.0020 0.1765 C.3 1 UNL1111111111 0.1106 19 C 2.3250 -2.0558 1.3340 C.3 1 UNL1111111111 -0.2682 20 C 3.5576 -1.2065 1.0125 C.3 1 UNL1111111111 -0.3309 21 C 4.2942 0.8665 -0.3522 C.3 1 UNL1111111111 0.0451 22 C -3.7682 -2.0247 -1.7678 C.3 1 UNL1111111111 -0.2719 23 C -4.1296 0.7805 2.4929 C.3 1 UNL1111111111 -0.1906 24 C 5.1482 1.3933 0.8071 C.3 1 UNL1111111111 -0.4535 25 H 0.6136 1.0575 -1.5007 H 1 UNL1111111111 0.1476 26 H -2.0926 -1.2527 -0.0189 H 1 UNL1111111111 0.1440 27 H 0.5491 1.7106 0.9933 H 1 UNL1111111111 0.1693 28 H -1.1546 -0.6016 -2.2836 H 1 UNL1111111111 0.1271 29 H -3.2507 1.6393 0.0622 H 1 UNL1111111111 0.1434 30 H -1.7656 1.9630 2.0431 H 1 UNL1111111111 0.1647 31 H 1.0481 -1.4608 -1.8934 H 1 UNL1111111111 0.1268 32 H 2.3064 -3.1904 -0.5312 H 1 UNL1111111111 0.1395 33 H 2.3810 0.6228 0.7211 H 1 UNL1111111111 0.1499 34 H 2.5980 -2.9448 1.9313 H 1 UNL1111111111 0.1492 35 H 1.6092 -1.4885 1.9643 H 1 UNL1111111111 0.1667 36 H -4.5224 -0.3524 -0.8196 H 1 UNL1111111111 0.2757 37 H 4.0439 -0.8731 1.9479 H 1 UNL1111111111 0.1521 38 H 4.3109 -1.8049 0.4684 H 1 UNL1111111111 0.1482 39 H -1.4126 2.8993 -0.8882 H 1 UNL1111111111 0.2724 40 H 0.0804 3.4543 -0.4841 H 1 UNL1111111111 0.2553 41 H -2.7774 1.1610 -2.5198 H 1 UNL1111111111 0.3552 42 H 4.9242 0.2478 -1.0401 H 1 UNL1111111111 0.1216 43 H -0.7107 -0.6314 1.6207 H 1 UNL1111111111 0.3313 44 H -4.6623 -2.1488 -2.4031 H 1 UNL1111111111 0.1492 45 H -3.8393 -2.7366 -0.9305 H 1 UNL1111111111 0.1250 46 H -2.8915 -2.2877 -2.3802 H 1 UNL1111111111 0.1415 47 H 0.2208 -4.0394 -0.0893 H 1 UNL1111111111 0.2598 48 H -0.4245 -2.5567 0.2772 H 1 UNL1111111111 0.2666 49 H -4.4215 1.8108 2.2740 H 1 UNL1111111111 0.1193 50 H -3.3199 0.7427 3.2329 H 1 UNL1111111111 0.1443 51 H -4.9911 0.2012 2.8481 H 1 UNL1111111111 0.1402 52 H 5.8973 2.1084 0.4454 H 1 UNL1111111111 0.1521 53 H 4.5300 1.9340 1.5362 H 1 UNL1111111111 0.1633 54 H 5.6762 0.5884 1.3246 H 1 UNL1111111111 0.1402 55 H 2.8622 1.7859 -1.5416 H 1 UNL1111111111 0.2566 56 H 4.3539 2.4492 -1.7020 H 1 UNL1111111111 0.2496 @BOND 1 1 10 1 2 1 16 1 3 2 16 1 4 2 18 1 5 3 14 1 6 3 23 1 7 4 13 1 8 4 41 1 9 5 15 1 10 5 43 1 11 6 11 1 12 6 22 1 13 6 36 1 14 7 12 1 15 7 39 1 16 7 40 1 17 8 17 1 18 8 47 1 19 8 48 1 20 9 21 1 21 9 55 1 22 9 56 1 23 10 12 1 24 10 13 1 25 10 25 1 26 11 13 1 27 11 14 1 28 11 26 1 29 12 15 1 30 12 27 1 31 13 28 1 32 14 15 1 33 14 29 1 34 15 30 1 35 16 17 1 36 16 31 1 37 17 19 1 38 17 32 1 39 18 20 1 40 18 21 1 41 18 33 1 42 19 20 1 43 19 34 1 44 19 35 1 45 20 37 1 46 20 38 1 47 21 24 1 48 21 42 1 49 22 44 1 50 22 45 1 51 22 46 1 52 23 49 1 53 23 50 1 54 23 51 1 55 24 52 1 56 24 53 1 57 24 54 1