@MOLECULE napyradiomycin a1 59 61 0 0 0 SMALL GASTEIGER @ATOM 1 CL 1.6041 2.2452 1.0341 Cl 1 UNL111111 -0.1009 2 CL 4.9044 -1.0936 1.1468 Cl 1 UNL111111 -0.1714 3 O 2.4344 0.6147 -1.4660 O.3 1 UNL111111 -0.3835 4 O 0.8230 -1.4191 -2.3728 O.2 1 UNL111111 -0.3760 5 O -0.4456 0.8014 2.3122 O.2 1 UNL111111 -0.4678 6 O -2.2133 -1.0740 2.7654 O.3 1 UNL111111 -0.4497 7 O -2.7856 -4.3612 -0.4509 O.3 1 UNL111111 -0.4567 8 C 1.1692 0.4232 -0.8890 C.3 1 UNL111111 0.1582 9 C 1.2364 0.5568 0.6416 C.3 1 UNL111111 -0.0373 10 C 3.5598 -0.1281 -0.9975 C.3 1 UNL111111 0.2882 11 C 2.3498 -0.3084 1.2270 C.3 1 UNL111111 -0.3262 12 C 3.6592 0.0240 0.5329 C.3 1 UNL111111 -0.0750 13 C 0.3263 1.5272 -1.5836 C.3 1 UNL111111 -0.2697 14 C 0.5574 -0.9188 -1.3115 C.2 1 UNL111111 0.3851 15 C -0.0687 0.1892 1.3323 C.2 1 UNL111111 0.4941 16 C 4.7069 0.6219 -1.6859 C.3 1 UNL111111 -0.4757 17 C 3.4952 -1.5762 -1.4627 C.3 1 UNL111111 -0.5031 18 C -0.4592 -1.5512 -0.4137 C.ar 1 UNL111111 0.0412 19 C -0.7720 -0.9841 0.8328 C.ar 1 UNL111111 -0.3927 20 C -0.9821 1.7007 -0.9009 C.2 1 UNL111111 -0.2891 21 C -1.8055 -1.5702 1.5964 C.ar 1 UNL111111 0.4339 22 C -1.1084 -2.6795 -0.8713 C.ar 1 UNL111111 -0.3250 23 C -1.4276 2.8220 -0.3177 C.2 1 UNL111111 0.1030 24 C -2.1085 -3.2602 -0.0609 C.ar 1 UNL111111 0.3715 25 C -2.4734 -2.7253 1.1647 C.ar 1 UNL111111 -0.3727 26 C -2.7428 2.8112 0.4155 C.3 1 UNL111111 -0.2918 27 C -0.7093 4.1260 -0.3002 C.3 1 UNL111111 -0.4554 28 C -3.9393 2.7518 -0.5545 C.3 1 UNL111111 -0.2765 29 C -4.0390 1.4340 -1.2259 C.2 1 UNL111111 -0.1622 30 C -4.5160 0.2722 -0.5816 C.2 1 UNL111111 -0.4205 31 C -4.5986 -1.0070 -1.3613 C.3 1 UNL111111 -0.3869 32 C -4.9120 0.2530 0.6941 C.3 1 UNL111111 0.3482 33 H 2.0974 -1.3872 1.1158 H 1 UNL111111 0.1778 34 H 2.4346 -0.1491 2.3269 H 1 UNL111111 0.1864 35 H 4.0271 1.0388 0.8080 H 1 UNL111111 0.1762 36 H 0.1823 1.2570 -2.6538 H 1 UNL111111 0.1720 37 H 0.9222 2.4658 -1.6209 H 1 UNL111111 0.1792 38 H 4.6847 1.6935 -1.4491 H 1 UNL111111 0.1635 39 H 5.6823 0.2228 -1.3890 H 1 UNL111111 0.1627 40 H 4.6256 0.5380 -2.7780 H 1 UNL111111 0.1673 41 H 3.1274 -1.6281 -2.4999 H 1 UNL111111 0.1842 42 H 4.4778 -2.0537 -1.4543 H 1 UNL111111 0.1655 43 H 2.8325 -2.1977 -0.8533 H 1 UNL111111 0.1544 44 H -1.6143 0.8088 -0.9094 H 1 UNL111111 0.1626 45 H -0.8605 -3.1071 -1.8423 H 1 UNL111111 0.1910 46 H -3.2546 -3.1770 1.7770 H 1 UNL111111 0.2040 47 H -2.8403 3.7049 1.0623 H 1 UNL111111 0.1478 48 H -2.7756 1.9470 1.1127 H 1 UNL111111 0.1551 49 H 0.2033 4.1284 -0.9119 H 1 UNL111111 0.1585 50 H -1.3506 4.9366 -0.6747 H 1 UNL111111 0.1548 51 H -0.4058 4.3941 0.7244 H 1 UNL111111 0.1662 52 H -1.7265 -0.2070 2.9922 H 1 UNL111111 0.3790 53 H -3.8376 3.5570 -1.3128 H 1 UNL111111 0.1505 54 H -4.8715 2.9854 0.0002 H 1 UNL111111 0.1435 55 H -2.4774 -4.7086 -1.3269 H 1 UNL111111 0.3379 56 H -3.7118 1.3736 -2.2547 H 1 UNL111111 0.1474 57 H -5.6247 -1.1914 -1.7097 H 1 UNL111111 0.1501 58 H -4.2759 -1.8792 -0.7763 H 1 UNL111111 0.1476 59 H -3.9579 -0.9637 -2.2523 H 1 UNL111111 0.1573 @BOND 1 59 31 1 2 57 31 1 3 56 29 1 4 4 14 2 5 45 22 1 6 55 7 1 7 36 13 1 8 41 17 1 9 31 58 1 10 31 30 1 11 40 16 1 12 7 24 1 13 29 30 2 14 29 28 1 15 22 24 ar 16 22 18 ar 17 14 18 1 18 14 8 1 19 13 37 1 20 13 20 1 21 13 8 1 22 53 28 1 23 17 42 1 24 17 43 1 25 17 10 1 26 30 32 1 27 3 8 1 28 3 10 1 29 44 20 1 30 16 39 1 31 16 10 1 32 16 38 1 33 24 25 ar 34 20 23 2 35 18 19 ar 36 8 9 1 37 28 54 1 38 28 26 1 39 10 12 1 40 49 27 1 41 23 27 1 42 23 26 1 43 50 27 1 44 27 51 1 45 25 46 1 46 25 21 ar 47 26 48 1 48 26 47 1 49 19 21 ar 50 19 15 1 51 9 15 1 52 9 11 1 53 9 1 1 54 12 11 1 55 12 35 1 56 12 2 1 57 21 6 1 58 33 11 1 59 15 5 2 60 11 34 1 61 6 52 1