@MOLECULE jorunnamycin c 71 75 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.9795 -0.2806 2.2254 O.3 1 UNL1111111111 -0.4213 2 O -2.2499 -1.2885 -2.7078 O.2 1 UNL1111111111 -0.4035 3 O -4.8105 0.2394 1.5026 O.2 1 UNL1111111111 -0.3904 4 O -2.8784 -3.3449 -0.7378 O.2 1 UNL1111111111 -0.2620 5 O 2.2607 -2.3011 -2.2152 O.2 1 UNL1111111111 -0.4032 6 O 4.2467 1.2553 1.2097 O.2 1 UNL1111111111 -0.4142 7 O 5.9487 -0.8156 0.1635 O.2 1 UNL1111111111 -0.2624 8 O -1.1356 0.2836 2.7687 O.2 1 UNL1111111111 -0.5227 9 N 0.1517 1.5998 0.1384 N.3 1 UNL1111111111 -0.4485 10 N -1.8525 2.6971 -1.5807 N.3 1 UNL1111111111 -0.4222 11 N 0.9324 4.8864 -0.7281 N.1 1 UNL1111111111 -0.2393 12 C 0.0398 1.1791 -1.2798 C.3 1 UNL1111111111 0.0550 13 C -1.4445 1.2873 -1.7636 C.3 1 UNL1111111111 0.0450 14 C -1.9045 3.0090 -0.1393 C.3 1 UNL1111111111 0.0533 15 C -0.4248 2.9369 0.3815 C.3 1 UNL1111111111 0.0469 16 C 1.5281 1.4969 0.6980 C.3 1 UNL1111111111 0.0307 17 C 0.5155 -0.2820 -1.3894 C.3 1 UNL1111111111 -0.2971 18 C -2.8169 2.0807 0.6982 C.3 1 UNL1111111111 -0.3287 19 C -2.3453 0.3436 -1.0150 C.2 1 UNL1111111111 -0.2166 20 C -2.9848 0.7373 0.0969 C.2 1 UNL1111111111 0.0147 21 C 2.3856 0.4680 0.0140 C.2 1 UNL1111111111 -0.1483 22 C 1.9137 -0.3819 -0.9085 C.2 1 UNL1111111111 -0.0267 23 C -3.1120 3.0189 -2.2776 C.3 1 UNL1111111111 -0.2670 24 C 1.3803 1.0783 2.1889 C.3 1 UNL1111111111 -0.0268 25 C -2.5183 -1.0122 -1.5635 C.2 1 UNL1111111111 0.4153 26 C 0.3313 4.0287 -0.2401 C.1 1 UNL1111111111 0.0582 27 C -3.9455 -0.1896 0.7797 C.2 1 UNL1111111111 0.4343 28 C 2.7502 -1.4870 -1.4682 C.2 1 UNL1111111111 0.4449 29 C 3.8032 0.4341 0.4425 C.2 1 UNL1111111111 0.4223 30 C -3.0587 -2.0151 -0.5958 C.2 1 UNL1111111111 0.0903 31 C -3.7699 -1.6259 0.4882 C.2 1 UNL1111111111 -0.1801 32 C 4.1565 -1.5391 -1.0408 C.2 1 UNL1111111111 -0.1880 33 C 4.6460 -0.6494 -0.1438 C.2 1 UNL1111111111 0.1103 34 C -4.3878 -2.5936 1.4240 C.3 1 UNL1111111111 -0.4102 35 C 5.0113 -2.5997 -1.6268 C.3 1 UNL1111111111 -0.4127 36 C -0.3401 -0.5487 2.4218 C.2 1 UNL1111111111 0.6353 37 C -2.1352 -3.7965 -1.8689 C.3 1 UNL1111111111 -0.2055 38 C -0.5764 -2.0107 2.1784 C.3 1 UNL1111111111 -0.3308 39 C 6.5406 0.0455 1.1325 C.3 1 UNL1111111111 -0.2015 40 C -1.2101 -2.6335 3.4173 C.3 1 UNL1111111111 -0.4230 41 H 0.6606 1.8322 -1.9498 H 1 UNL1111111111 0.1447 42 H -1.4665 1.0508 -2.8641 H 1 UNL1111111111 0.1736 43 H -2.2580 4.0668 -0.0231 H 1 UNL1111111111 0.1504 44 H -0.4430 3.0908 1.5029 H 1 UNL1111111111 0.1760 45 H 2.0694 2.4861 0.6629 H 1 UNL1111111111 0.1576 46 H -0.1259 -0.9486 -0.7674 H 1 UNL1111111111 0.1767 47 H 0.4038 -0.6519 -2.4333 H 1 UNL1111111111 0.1893 48 H -3.8111 2.5540 0.8599 H 1 UNL1111111111 0.1798 49 H -2.3994 1.9555 1.7313 H 1 UNL1111111111 0.2084 50 H -2.9949 2.7984 -3.3529 H 1 UNL1111111111 0.1535 51 H -3.9919 2.4726 -1.9040 H 1 UNL1111111111 0.1337 52 H -3.3027 4.1019 -2.1886 H 1 UNL1111111111 0.1492 53 H 2.3581 1.0771 2.7076 H 1 UNL1111111111 0.1552 54 H 0.6710 1.7255 2.7330 H 1 UNL1111111111 0.1496 55 H -4.9276 -3.3905 0.8877 H 1 UNL1111111111 0.1604 56 H -3.6289 -3.0894 2.0504 H 1 UNL1111111111 0.1601 57 H -5.1097 -2.1116 2.1045 H 1 UNL1111111111 0.1720 58 H 5.5754 -3.1434 -0.8525 H 1 UNL1111111111 0.1608 59 H 5.7555 -2.1753 -2.3201 H 1 UNL1111111111 0.1623 60 H 4.4290 -3.3446 -2.1932 H 1 UNL1111111111 0.1710 61 H -2.0881 -4.8775 -1.6860 H 1 UNL1111111111 0.1451 62 H -2.6727 -3.5837 -2.7996 H 1 UNL1111111111 0.1540 63 H -1.1302 -3.3626 -1.8896 H 1 UNL1111111111 0.1495 64 H 0.3657 -2.5345 1.9105 H 1 UNL1111111111 0.1757 65 H -1.2478 -2.1224 1.2972 H 1 UNL1111111111 0.1775 66 H 7.5603 -0.3584 1.1889 H 1 UNL1111111111 0.1464 67 H 6.0361 -0.0352 2.1004 H 1 UNL1111111111 0.1476 68 H 6.5517 1.0833 0.7819 H 1 UNL1111111111 0.1522 69 H -2.1180 -2.0896 3.7191 H 1 UNL1111111111 0.1648 70 H -1.4907 -3.6782 3.2368 H 1 UNL1111111111 0.1498 71 H -0.5246 -2.6206 4.2737 H 1 UNL1111111111 0.1495 @BOND 1 1 24 1 2 1 36 1 3 2 25 2 4 3 27 2 5 4 30 1 6 4 37 1 7 5 28 2 8 6 29 2 9 7 33 1 10 7 39 1 11 8 36 2 12 9 12 1 13 9 15 1 14 9 16 1 15 10 13 1 16 10 14 1 17 10 23 1 18 11 26 3 19 12 13 1 20 12 17 1 21 12 41 1 22 13 19 1 23 13 42 1 24 14 15 1 25 14 18 1 26 14 43 1 27 15 26 1 28 15 44 1 29 16 21 1 30 16 24 1 31 16 45 1 32 17 22 1 33 17 46 1 34 17 47 1 35 18 20 1 36 18 48 1 37 18 49 1 38 19 20 2 39 19 25 1 40 20 27 1 41 21 22 2 42 21 29 1 43 22 28 1 44 23 50 1 45 23 51 1 46 23 52 1 47 24 53 1 48 24 54 1 49 25 30 1 50 27 31 1 51 28 32 1 52 29 33 1 53 30 31 2 54 31 34 1 55 32 33 2 56 32 35 1 57 34 55 1 58 34 56 1 59 34 57 1 60 35 58 1 61 35 59 1 62 35 60 1 63 36 38 1 64 37 61 1 65 37 62 1 66 37 63 1 67 38 40 1 68 38 64 1 69 38 65 1 70 39 66 1 71 39 67 1 72 39 68 1 73 40 69 1 74 40 70 1 75 40 71 1