@MOLECULE desoxymycin 80 82 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.5801 -1.2221 -0.1249 O.3 1 UNL11 -0.4417 2 O -0.5565 -2.3883 1.5177 O.3 1 UNL11 -0.4267 3 O -2.7386 -0.6333 -0.0117 O.3 1 UNL11 -0.4752 4 O -2.9331 0.7273 -1.8676 O.3 1 UNL11 -0.4288 5 O 2.7004 -3.0447 0.3594 O.3 1 UNL11 -0.5259 6 O 3.4697 2.4193 0.2247 O.3 1 UNL11 -0.6155 7 O 5.1466 -2.0044 -0.5142 O.3 1 UNL11 -0.5896 8 O -3.3903 -3.3642 -2.1726 O.3 1 UNL11 -0.5537 9 O -5.3292 2.3057 1.0517 O.3 1 UNL11 -0.5694 10 O -2.8544 3.5846 0.4004 O.3 1 UNL11 -0.5792 11 O -0.3358 2.4415 -2.4112 O.3 1 UNL11 -0.5524 12 N 1.0444 1.2209 1.4089 N.pl3 1 UNL11 -0.5811 13 N 5.7320 0.7589 0.3210 N.pl3 1 UNL11 -0.6246 14 N -5.4005 -0.6490 0.4706 N.3 1 UNL11 -0.5243 15 N 0.8631 3.4001 0.3586 N.pl3 1 UNL11 -0.6770 16 N -0.4801 2.7788 2.2238 N.pl3 1 UNL11 -0.6468 17 N 8.0398 0.9893 0.1753 N.pl3 1 UNL11 -0.6331 18 N 6.9104 -0.0439 -1.6465 N.pl3 1 UNL11 -0.6673 19 C -1.7110 -1.5261 -0.3847 C.3 1 UNL11 0.0729 20 C -2.1683 -2.9743 -0.1164 C.3 1 UNL11 -0.2766 21 C 1.7578 -0.9064 0.5924 C.3 1 UNL11 0.1046 22 C -0.5907 -1.2792 0.6604 C.3 1 UNL11 0.2925 23 C -1.0869 -3.5335 0.8409 C.3 1 UNL11 0.1412 24 C 1.9461 0.6361 0.4314 C.3 1 UNL11 -0.0072 25 C 2.8527 -1.7234 -0.1206 C.3 1 UNL11 0.0843 26 C 3.3989 1.0882 0.7106 C.3 1 UNL11 0.1396 27 C 4.2561 -1.2334 0.2817 C.3 1 UNL11 0.0626 28 C 4.4346 0.2515 -0.0881 C.3 1 UNL11 -0.0349 29 C -3.5834 -0.2071 -1.0553 C.3 1 UNL11 0.3046 30 C -4.7821 0.4373 -0.3035 C.3 1 UNL11 -0.0399 31 C -2.2971 -3.7995 -1.3896 C.3 1 UNL11 -0.0043 32 C -4.2139 1.6137 0.5243 C.3 1 UNL11 0.0643 33 C -3.4207 2.5715 -0.3909 C.3 1 UNL11 0.0480 34 C -2.3336 1.8119 -1.1753 C.3 1 UNL11 0.0200 35 C -1.6418 -4.4370 1.9292 C.3 1 UNL11 -0.4781 36 C -1.7169 2.6799 -2.2813 C.3 1 UNL11 -0.0135 37 C 0.5757 2.4260 1.3304 C.cat 1 UNL11 0.5232 38 C -6.7665 -0.3171 0.9220 C.3 1 UNL11 -0.2689 39 C 6.8133 0.5553 -0.3776 C.cat 1 UNL11 0.5430 40 H -1.3757 -1.3391 -1.4262 H 1 UNL11 0.1713 41 H -3.1547 -2.9405 0.4085 H 1 UNL11 0.1748 42 H 1.6726 -1.2053 1.6622 H 1 UNL11 0.1731 43 H -0.7041 -0.3977 1.3182 H 1 UNL11 0.1625 44 H -0.2439 -4.0037 0.2887 H 1 UNL11 0.1373 45 H 1.6716 0.9122 -0.6247 H 1 UNL11 0.1685 46 H 2.7103 -1.7264 -1.2246 H 1 UNL11 0.1538 47 H 3.6319 1.1043 1.7978 H 1 UNL11 0.1508 48 H 4.4609 -1.4205 1.3576 H 1 UNL11 0.1487 49 H 4.2467 0.3973 -1.1859 H 1 UNL11 0.1608 50 H -3.8542 -1.0202 -1.7602 H 1 UNL11 0.1595 51 H -5.5198 0.8286 -1.0487 H 1 UNL11 0.1687 52 H -1.4348 -3.6808 -2.0735 H 1 UNL11 0.1470 53 H -2.4436 -4.8737 -1.1718 H 1 UNL11 0.1184 54 H -3.5997 1.2595 1.3803 H 1 UNL11 0.1387 55 H -4.1103 3.1323 -1.0620 H 1 UNL11 0.1585 56 H -1.5469 1.4109 -0.4939 H 1 UNL11 0.1560 57 H -2.1945 -5.2823 1.5091 H 1 UNL11 0.1493 58 H -0.8320 -4.8349 2.5546 H 1 UNL11 0.1587 59 H -2.3124 -3.8839 2.5998 H 1 UNL11 0.1629 60 H 3.3987 -3.6111 -0.0357 H 1 UNL11 0.3173 61 H -4.8026 -0.9037 1.2588 H 1 UNL11 0.2645 62 H 4.4018 2.7300 0.2528 H 1 UNL11 0.3548 63 H 5.9527 -2.2217 -0.0055 H 1 UNL11 0.3301 64 H -1.8748 3.7573 -2.0894 H 1 UNL11 0.1293 65 H -2.1163 2.4078 -3.2795 H 1 UNL11 0.1604 66 H -4.1560 -3.1318 -1.6071 H 1 UNL11 0.3209 67 H -5.0389 3.1914 1.3656 H 1 UNL11 0.3328 68 H -2.0455 3.2706 0.8697 H 1 UNL11 0.3449 69 H -7.1466 -1.1421 1.5441 H 1 UNL11 0.1368 70 H -7.4264 -0.2271 0.0433 H 1 UNL11 0.1443 71 H -6.8363 0.6209 1.4979 H 1 UNL11 0.1444 72 H 0.1160 2.5492 -1.5474 H 1 UNL11 0.3256 73 H 0.5056 4.3284 0.4861 H 1 UNL11 0.2918 74 H 1.8073 3.3686 -0.0138 H 1 UNL11 0.3309 75 H -0.7742 2.0143 2.8255 H 1 UNL11 0.3025 76 H -0.3348 3.6226 2.7541 H 1 UNL11 0.2804 77 H 7.9518 1.5037 1.0428 H 1 UNL11 0.3036 78 H 8.6942 1.4148 -0.4583 H 1 UNL11 0.2882 79 H 7.8166 -0.3176 -1.9781 H 1 UNL11 0.2921 80 H 6.1843 -0.7180 -1.8605 H 1 UNL11 0.3205 @BOND 1 1 21 1 2 1 22 1 3 2 22 1 4 2 23 1 5 3 19 1 6 3 29 1 7 4 29 1 8 4 34 1 9 5 25 1 10 5 60 1 11 6 26 1 12 6 62 1 13 7 27 1 14 7 63 1 15 8 31 1 16 8 66 1 17 9 32 1 18 9 67 1 19 10 33 1 20 10 68 1 21 11 36 1 22 11 72 1 23 12 24 1 24 12 37 2 25 13 28 1 26 13 39 2 27 14 30 1 28 14 38 1 29 14 61 1 30 15 37 1 31 15 73 1 32 15 74 1 33 16 37 1 34 16 75 1 35 16 76 1 36 17 39 1 37 17 77 1 38 17 78 1 39 18 39 1 40 18 79 1 41 18 80 1 42 19 20 1 43 19 40 1 44 20 23 1 45 20 31 1 46 20 41 1 47 21 24 1 48 21 42 1 49 22 19 1 50 22 43 1 51 23 35 1 52 23 44 1 53 24 26 1 54 24 45 1 55 25 21 1 56 25 46 1 57 26 28 1 58 26 47 1 59 27 25 1 60 27 48 1 61 28 27 1 62 28 49 1 63 29 30 1 64 29 50 1 65 30 32 1 66 30 51 1 67 31 52 1 68 31 53 1 69 32 33 1 70 32 54 1 71 33 34 1 72 33 55 1 73 34 36 1 74 34 56 1 75 35 57 1 76 35 58 1 77 35 59 1 78 36 64 1 79 36 65 1 80 38 69 1 81 38 70 1 82 38 71 1