@MOLECULE (3s,4s,5r)-3-[(e)-({1-[(3s,4s,5r)-4,5-dimethyl-2-oxotetrahydro-3-furanyl]-5-(hydroxymethyl)-1h-pyrrol-2-yl}methylene)amino]-4,5-dimethyldihydro-2(3h)-furanone 49 51 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.6043 2.4626 -1.3087 O.3 1 UNL1111111111 -0.3920 2 O 4.1565 -1.5185 0.1503 O.3 1 UNL1111111111 -0.3944 3 O -1.2977 0.7824 -2.5976 O.2 1 UNL1111111111 -0.4050 4 O 3.0751 -2.1367 -1.6922 O.2 1 UNL1111111111 -0.4389 5 O -5.5246 -1.3404 0.1776 O.3 1 UNL1111111111 -0.5305 6 N -2.0482 -0.5355 -0.0090 N.ar 1 UNL1111111111 -0.1841 7 N 1.0552 -0.2563 -0.1544 N.2 1 UNL1111111111 -0.4175 8 C -1.2963 1.7006 0.8566 C.3 1 UNL1111111111 -0.1687 9 C -2.0292 0.8891 -0.2418 C.3 1 UNL1111111111 -0.0701 10 C -0.7339 2.9041 0.0621 C.3 1 UNL1111111111 0.1325 11 C 3.2125 0.6444 0.5763 C.3 1 UNL1111111111 -0.1444 12 C -1.2871 1.3045 -1.5243 C.2 1 UNL1111111111 0.5618 13 C -2.2132 2.1283 1.9863 C.3 1 UNL1111111111 -0.4515 14 C 2.4274 -0.0377 -0.5759 C.3 1 UNL1111111111 -0.0823 15 C 4.0804 -0.4973 1.1616 C.3 1 UNL1111111111 0.1287 16 C -1.0140 -1.4435 -0.2097 C.ar 1 UNL1111111111 0.0048 17 C -3.1558 -1.2269 0.4796 C.ar 1 UNL1111111111 -0.0383 18 C 0.6496 3.3349 0.4996 C.3 1 UNL1111111111 -0.4789 19 C 4.0795 1.7835 0.0560 C.3 1 UNL1111111111 -0.4608 20 C 3.2119 -1.3374 -0.8114 C.2 1 UNL1111111111 0.5557 21 C -1.4822 -2.7201 0.1362 C.ar 1 UNL1111111111 -0.1986 22 C -2.8164 -2.5799 0.5784 C.ar 1 UNL1111111111 -0.1955 23 C 0.3393 -1.1833 -0.6871 C.2 1 UNL1111111111 0.0940 24 C 3.4679 -1.1326 2.3986 C.3 1 UNL1111111111 -0.4883 25 C -4.4737 -0.6264 0.7997 C.3 1 UNL1111111111 0.0016 26 H -0.4509 1.0844 1.2640 H 1 UNL1111111111 0.1978 27 H -3.0908 1.2582 -0.3496 H 1 UNL1111111111 0.1804 28 H -1.4484 3.7539 0.0189 H 1 UNL1111111111 0.1357 29 H 2.5047 1.0270 1.3486 H 1 UNL1111111111 0.1708 30 H -3.0592 2.7344 1.6416 H 1 UNL1111111111 0.1490 31 H -2.6232 1.2553 2.5139 H 1 UNL1111111111 0.1592 32 H -1.6711 2.7223 2.7343 H 1 UNL1111111111 0.1558 33 H 2.4382 0.5872 -1.5087 H 1 UNL1111111111 0.1909 34 H 5.1407 -0.2095 1.3151 H 1 UNL1111111111 0.1436 35 H 1.3708 2.5101 0.3855 H 1 UNL1111111111 0.1787 36 H 1.0191 4.1694 -0.1108 H 1 UNL1111111111 0.1618 37 H 0.6600 3.6501 1.5485 H 1 UNL1111111111 0.1544 38 H 4.8186 1.4359 -0.6779 H 1 UNL1111111111 0.1583 39 H 3.4784 2.5610 -0.4335 H 1 UNL1111111111 0.1558 40 H 4.6323 2.2705 0.8684 H 1 UNL1111111111 0.1500 41 H -0.9268 -3.6330 0.0779 H 1 UNL1111111111 0.1716 42 H -3.4585 -3.3636 0.9250 H 1 UNL1111111111 0.1708 43 H 0.6741 -1.8874 -1.4786 H 1 UNL1111111111 0.1850 44 H 2.4058 -1.3745 2.2483 H 1 UNL1111111111 0.1706 45 H 3.9748 -2.0763 2.6459 H 1 UNL1111111111 0.1679 46 H 3.5419 -0.4747 3.2704 H 1 UNL1111111111 0.1535 47 H -4.7185 -0.7208 1.8806 H 1 UNL1111111111 0.1562 48 H -4.5731 0.4368 0.5046 H 1 UNL1111111111 0.1209 49 H -5.2648 -1.6185 -0.7270 H 1 UNL1111111111 0.3222 @BOND 1 1 10 1 2 1 12 1 3 2 15 1 4 2 20 1 5 3 12 2 6 4 20 2 7 5 25 1 8 5 49 1 9 6 9 1 10 6 16 ar 11 6 17 ar 12 7 14 1 13 7 23 2 14 8 9 1 15 8 10 1 16 8 13 1 17 8 26 1 18 9 12 1 19 9 27 1 20 10 18 1 21 10 28 1 22 11 14 1 23 11 15 1 24 11 19 1 25 11 29 1 26 13 30 1 27 13 31 1 28 13 32 1 29 14 20 1 30 14 33 1 31 15 24 1 32 15 34 1 33 16 21 ar 34 16 23 1 35 17 22 ar 36 17 25 1 37 18 35 1 38 18 36 1 39 18 37 1 40 19 38 1 41 19 39 1 42 19 40 1 43 21 22 ar 44 21 41 1 45 22 42 1 46 23 43 1 47 24 44 1 48 24 45 1 49 24 46 1 50 25 47 1 51 25 48 1