@MOLECULE 7-[(3-iodo-2-propen-1-yl)(propyl)amino]-5,6,7,8-tetrahydro-1-naphthalenol 41 42 0 0 0 SMALL USER_CHARGES @ATOM 1 I -4.8491 -0.2021 -0.1590 I 1 UNL111111 -0.0334 2 O 5.1117 2.1006 -0.7036 O.3 1 UNL111111 -0.4781 3 N 0.5177 -0.0420 -0.2191 N.3 1 UNL111111 -0.4510 4 C 1.8923 -0.4109 0.2237 C.3 1 UNL111111 0.0659 5 C 2.1644 -1.8639 -0.2331 C.3 1 UNL111111 -0.2808 6 C 2.9657 0.4854 -0.4300 C.3 1 UNL111111 -0.2869 7 C 3.4930 -2.3479 0.3530 C.3 1 UNL111111 -0.2886 8 C 4.3409 -0.0457 -0.2052 C.ar 1 UNL111111 -0.1034 9 C 4.6056 -1.3699 0.1366 C.ar 1 UNL111111 0.0627 10 C 0.2705 1.4097 -0.3385 C.3 1 UNL111111 -0.1090 11 C -0.4981 -0.6775 0.6608 C.3 1 UNL111111 -0.1283 12 C 5.4351 0.8216 -0.3685 C.ar 1 UNL111111 0.2713 13 C 0.4094 2.2305 0.9597 C.3 1 UNL111111 -0.2954 14 C 5.9290 -1.8007 0.3106 C.ar 1 UNL111111 -0.2487 15 C 6.7544 0.4126 -0.1990 C.ar 1 UNL111111 -0.3164 16 C 6.9899 -0.9195 0.1437 C.ar 1 UNL111111 -0.0735 17 C -1.8473 -0.5748 0.0055 C.2 1 UNL111111 -0.1046 18 C 0.3019 3.7216 0.6509 C.3 1 UNL111111 -0.4337 19 C -2.9444 -0.3421 0.7208 C.2 1 UNL111111 -0.2523 20 H 1.9936 -0.3401 1.3370 H 1 UNL111111 0.1172 21 H 2.1856 -1.8996 -1.3399 H 1 UNL111111 0.1599 22 H 1.3457 -2.5412 0.0660 H 1 UNL111111 0.1394 23 H 2.8943 1.5251 -0.0418 H 1 UNL111111 0.1668 24 H 2.7772 0.5635 -1.5243 H 1 UNL111111 0.1715 25 H 3.7540 -3.3328 -0.0880 H 1 UNL111111 0.1533 26 H 3.3823 -2.5318 1.4441 H 1 UNL111111 0.1545 27 H -0.7561 1.5416 -0.7518 H 1 UNL111111 0.1414 28 H 0.9488 1.8102 -1.1241 H 1 UNL111111 0.1489 29 H -0.5020 -0.2505 1.6884 H 1 UNL111111 0.1280 30 H -0.2479 -1.7624 0.7755 H 1 UNL111111 0.1574 31 H -0.3738 1.9368 1.6822 H 1 UNL111111 0.1349 32 H 1.3744 2.0130 1.4539 H 1 UNL111111 0.1428 33 H 6.1248 -2.8353 0.5787 H 1 UNL111111 0.1548 34 H 7.5778 1.1047 -0.3296 H 1 UNL111111 0.1590 35 H 8.0127 -1.2665 0.2803 H 1 UNL111111 0.1475 36 H -1.8275 -0.7132 -1.0791 H 1 UNL111111 0.1775 37 H -0.6532 3.9657 0.1716 H 1 UNL111111 0.1438 38 H 0.3727 4.3221 1.5651 H 1 UNL111111 0.1435 39 H 1.1036 4.0524 -0.0202 H 1 UNL111111 0.1462 40 H 5.9088 2.6731 -0.7936 H 1 UNL111111 0.3270 41 H -2.9851 -0.1987 1.7902 H 1 UNL111111 0.1688 @BOND 1 24 6 1 2 21 5 1 3 28 10 1 4 36 17 1 5 40 2 1 6 27 10 1 7 2 12 1 8 6 8 1 9 6 23 1 10 6 4 1 11 12 8 ar 12 12 15 ar 13 10 3 1 14 10 13 1 15 34 15 1 16 5 22 1 17 5 4 1 18 5 7 1 19 3 4 1 20 3 11 1 21 8 9 ar 22 15 16 ar 23 1 19 1 24 25 7 1 25 39 18 1 26 17 11 1 27 17 19 2 28 9 14 ar 29 9 7 1 30 16 35 1 31 16 14 ar 32 37 18 1 33 4 20 1 34 14 33 1 35 7 26 1 36 18 13 1 37 18 38 1 38 11 30 1 39 11 29 1 40 19 41 1 41 13 32 1 42 13 31 1