@MOLECULE tenellin 50 51 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.8944 1.5634 -0.3826 O.3 1 UNL1 -0.4495 2 O -1.3692 -3.8201 -0.0771 O.3 1 UNL1 -0.2633 3 O 0.5674 1.8196 -0.7601 O.2 1 UNL1 -0.5592 4 O 0.7953 -2.3842 -0.5246 O.2 1 UNL1 -0.5263 5 O -7.8795 1.6740 0.7056 O.3 1 UNL1 -0.4768 6 N -1.4145 -2.4315 -0.1606 N.ar 1 UNL1 -0.2461 7 C 6.7411 0.1407 0.9722 C.3 1 UNL1 -0.0908 8 C 7.7101 1.2968 0.6461 C.3 1 UNL1 -0.2575 9 C 5.3301 0.6040 0.7801 C.2 1 UNL1 -0.1605 10 C 6.9318 -0.3144 2.4272 C.3 1 UNL1 -0.4531 11 C 4.5208 0.2494 -0.2312 C.2 1 UNL1 -0.0305 12 C 7.7518 1.5863 -0.8532 C.3 1 UNL1 -0.4418 13 C -2.8191 -0.5439 -0.0598 C.ar 1 UNL1 -0.2861 14 C -0.3855 -0.2837 -0.4678 C.ar 1 UNL1 -0.5538 15 C -1.6732 0.2669 -0.3083 C.ar 1 UNL1 0.4956 16 C 3.1487 0.7623 -0.2521 C.2 1 UNL1 -0.0371 17 C -4.1366 0.0537 0.1251 C.ar 1 UNL1 -0.0369 18 C 4.9078 -0.6706 -1.3399 C.3 1 UNL1 -0.4440 19 C -2.6535 -1.9167 0.0040 C.ar 1 UNL1 0.1621 20 C 0.7515 0.6029 -0.6764 C.2 1 UNL1 0.5653 21 C -0.1975 -1.6971 -0.4045 C.ar 1 UNL1 0.6264 22 C 2.1147 0.0718 -0.7552 C.2 1 UNL1 -0.3034 23 C -4.9103 -0.2873 1.2431 C.ar 1 UNL1 -0.0952 24 C -4.6257 0.9713 -0.8107 C.ar 1 UNL1 -0.0527 25 C -6.1703 0.2659 1.4235 C.ar 1 UNL1 -0.2462 26 C -5.8852 1.5406 -0.6488 C.ar 1 UNL1 -0.3104 27 C -6.6383 1.1744 0.4678 C.ar 1 UNL1 0.2918 28 H 6.9743 -0.7232 0.3027 H 1 UNL1 0.1424 29 H 7.4116 2.2064 1.2001 H 1 UNL1 0.1384 30 H 8.7241 1.0420 1.0078 H 1 UNL1 0.1355 31 H 4.9830 1.2874 1.5568 H 1 UNL1 0.1480 32 H 6.8036 0.5149 3.1312 H 1 UNL1 0.1460 33 H 6.2058 -1.0907 2.6950 H 1 UNL1 0.1496 34 H 7.9324 -0.7301 2.5846 H 1 UNL1 0.1440 35 H 6.7496 1.8053 -1.2442 H 1 UNL1 0.1531 36 H 8.3866 2.4513 -1.0736 H 1 UNL1 0.1412 37 H 8.1474 0.7353 -1.4175 H 1 UNL1 0.1395 38 H 2.9984 1.7503 0.1992 H 1 UNL1 0.1618 39 H 4.4404 -0.3819 -2.2931 H 1 UNL1 0.1595 40 H 4.5901 -1.7026 -1.1208 H 1 UNL1 0.1642 41 H 5.9918 -0.6917 -1.5131 H 1 UNL1 0.1537 42 H -3.4907 -2.6085 0.1784 H 1 UNL1 0.1926 43 H 2.2341 -0.9124 -1.2141 H 1 UNL1 0.2000 44 H -4.5158 -0.9826 1.9835 H 1 UNL1 0.1526 45 H -4.0119 1.2473 -1.6700 H 1 UNL1 0.1636 46 H -6.7877 0.0169 2.2821 H 1 UNL1 0.1744 47 H -6.2657 2.2532 -1.3716 H 1 UNL1 0.1611 48 H -0.9899 2.0866 -0.5543 H 1 UNL1 0.4033 49 H -0.3859 -4.0537 -0.2140 H 1 UNL1 0.3279 50 H -8.1597 2.3241 0.0179 H 1 UNL1 0.3278 @BOND 1 39 18 1 2 45 24 1 3 41 18 1 4 37 12 1 5 47 26 1 6 18 40 1 7 18 11 1 8 35 12 1 9 43 22 1 10 36 12 1 11 12 8 1 12 24 26 ar 13 24 17 ar 14 3 20 2 15 22 20 1 16 22 16 2 17 20 14 1 18 26 27 ar 19 48 1 1 20 4 21 2 21 14 21 ar 22 14 15 ar 23 21 6 ar 24 1 15 1 25 15 13 ar 26 16 11 1 27 16 38 1 28 11 9 2 29 49 2 1 30 6 2 1 31 6 19 ar 32 13 19 ar 33 13 17 1 34 19 42 1 35 50 5 1 36 17 23 ar 37 28 7 1 38 27 5 1 39 27 25 ar 40 8 7 1 41 8 30 1 42 8 29 1 43 9 7 1 44 9 31 1 45 7 10 1 46 23 25 ar 47 23 44 1 48 25 46 1 49 10 34 1 50 10 33 1 51 10 32 1