@MOLECULE 3-(pentadec-10-enyl)catechol 57 57 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.1759 -1.7002 1.4776 O.3 1 UNL1111111111 -0.4284 2 O 5.2064 -0.0684 1.5767 O.3 1 UNL1111111111 -0.4258 3 C -3.4256 -2.4959 0.3006 C.3 1 UNL1111111111 -0.2730 4 C -2.1705 -1.6180 0.3897 C.3 1 UNL1111111111 -0.2772 5 C -4.6909 -1.6649 0.5647 C.3 1 UNL1111111111 -0.2697 6 C -0.9507 -2.3109 -0.2276 C.3 1 UNL1111111111 -0.2701 7 C -5.0691 -0.8260 -0.6648 C.3 1 UNL1111111111 -0.2683 8 C 0.2647 -1.3804 -0.1568 C.3 1 UNL1111111111 -0.2684 9 C -5.9394 0.3867 -0.3081 C.3 1 UNL1111111111 -0.2635 10 C 1.4732 -1.9903 -0.8826 C.3 1 UNL1111111111 -0.2796 11 C -5.1702 1.4589 0.4841 C.3 1 UNL1111111111 -0.2752 12 C 2.6390 -1.0571 -0.8052 C.ar 1 UNL1111111111 -0.0782 13 C -3.9211 1.8729 -0.2263 C.2 1 UNL1111111111 -0.1677 14 C -1.4619 2.2209 -0.3555 C.3 1 UNL1111111111 -0.2836 15 C -2.7199 1.8459 0.3594 C.2 1 UNL1111111111 -0.1704 16 C 3.4081 -0.9722 0.3550 C.ar 1 UNL1111111111 0.1610 17 C -0.2602 2.2637 0.5993 C.3 1 UNL1111111111 -0.2647 18 C 2.9653 -0.2406 -1.8954 C.ar 1 UNL1111111111 -0.1796 19 C 1.0412 2.5361 -0.1648 C.3 1 UNL1111111111 -0.2535 20 C 4.5061 -0.0864 0.4129 C.ar 1 UNL1111111111 0.2020 21 C 4.0437 0.6317 -1.8330 C.ar 1 UNL1111111111 -0.1297 22 C 4.8255 0.7137 -0.6777 C.ar 1 UNL1111111111 -0.2717 23 C 2.2174 2.6631 0.8029 C.3 1 UNL1111111111 -0.4421 24 H -3.4922 -2.9765 -0.6925 H 1 UNL1111111111 0.1356 25 H -3.3577 -3.3234 1.0301 H 1 UNL1111111111 0.1323 26 H -2.3496 -0.6506 -0.1242 H 1 UNL1111111111 0.1512 27 H -1.9703 -1.3556 1.4445 H 1 UNL1111111111 0.1365 28 H -4.5288 -1.0111 1.4422 H 1 UNL1111111111 0.1415 29 H -5.5310 -2.3280 0.8387 H 1 UNL1111111111 0.1301 30 H -0.7444 -3.2614 0.2964 H 1 UNL1111111111 0.1344 31 H -1.1629 -2.5819 -1.2787 H 1 UNL1111111111 0.1361 32 H -5.5987 -1.4618 -1.3983 H 1 UNL1111111111 0.1289 33 H -4.1530 -0.4779 -1.1830 H 1 UNL1111111111 0.1469 34 H 0.0194 -0.3988 -0.6121 H 1 UNL1111111111 0.1520 35 H 0.5153 -1.1552 0.8965 H 1 UNL1111111111 0.1403 36 H -6.8204 0.0591 0.2746 H 1 UNL1111111111 0.1340 37 H -6.3397 0.8332 -1.2384 H 1 UNL1111111111 0.1331 38 H 1.7254 -2.9836 -0.4590 H 1 UNL1111111111 0.1433 39 H 1.2074 -2.1994 -1.9401 H 1 UNL1111111111 0.1558 40 H -4.9476 1.0815 1.5022 H 1 UNL1111111111 0.1422 41 H -5.8214 2.3451 0.6370 H 1 UNL1111111111 0.1427 42 H -4.0603 2.1885 -1.2571 H 1 UNL1111111111 0.1426 43 H -1.5783 3.2046 -0.8547 H 1 UNL1111111111 0.1487 44 H -1.2667 1.4978 -1.1753 H 1 UNL1111111111 0.1457 45 H -2.5969 1.5322 1.3944 H 1 UNL1111111111 0.1463 46 H -0.1757 1.3084 1.1515 H 1 UNL1111111111 0.1379 47 H -0.4192 3.0439 1.3673 H 1 UNL1111111111 0.1404 48 H 2.3636 -0.2940 -2.8002 H 1 UNL1111111111 0.1554 49 H 0.9462 3.4579 -0.7674 H 1 UNL1111111111 0.1308 50 H 1.2387 1.7194 -0.8871 H 1 UNL1111111111 0.1377 51 H 4.2865 1.2591 -2.6885 H 1 UNL1111111111 0.1512 52 H 5.6696 1.3943 -0.6362 H 1 UNL1111111111 0.1590 53 H 2.3409 1.7534 1.4041 H 1 UNL1111111111 0.1507 54 H 2.0837 3.5010 1.4941 H 1 UNL1111111111 0.1399 55 H 3.1579 2.8211 0.2620 H 1 UNL1111111111 0.1406 56 H 2.3809 -2.2842 1.3711 H 1 UNL1111111111 0.3192 57 H 5.9625 0.5687 1.5286 H 1 UNL1111111111 0.3141 @BOND 1 1 16 1 2 1 56 1 3 2 20 1 4 2 57 1 5 3 4 1 6 3 5 1 7 3 24 1 8 3 25 1 9 4 6 1 10 4 26 1 11 4 27 1 12 5 7 1 13 5 28 1 14 5 29 1 15 6 8 1 16 6 30 1 17 6 31 1 18 7 9 1 19 7 32 1 20 7 33 1 21 8 10 1 22 8 34 1 23 8 35 1 24 9 11 1 25 9 36 1 26 9 37 1 27 10 12 1 28 10 38 1 29 10 39 1 30 11 13 1 31 11 40 1 32 11 41 1 33 12 16 ar 34 12 18 ar 35 13 15 2 36 13 42 1 37 14 15 1 38 14 17 1 39 14 43 1 40 14 44 1 41 15 45 1 42 16 20 ar 43 17 19 1 44 17 46 1 45 17 47 1 46 18 21 ar 47 18 48 1 48 19 23 1 49 19 49 1 50 19 50 1 51 20 22 ar 52 21 22 ar 53 21 51 1 54 22 52 1 55 23 53 1 56 23 54 1 57 23 55 1