@MOLECULE (4-azidophenyl)(6-hydroxy-2-(4-hydroxyphenyl)benzo(b)thien-3-yl)methanone 41 44 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 2.3056 2.0390 0.4213 S.2 1 UNL1 0.1892 2 O 1.2323 -2.2443 -1.6632 O.2 1 UNL1 -0.4270 3 O 6.9246 -0.3687 0.8864 O.3 1 UNL1 -0.4651 4 O -4.2370 2.6253 -0.6907 O.3 1 UNL1 -0.4704 5 N -4.7648 -1.5478 0.3754 N.2 1 UNL1 -0.4269 6 N -5.2855 -1.1707 1.4471 N.2 1 UNL1 0.4342 7 N -5.9662 -0.8703 2.3032 N.2 1 UNL1 -0.1704 8 C 1.5185 -0.3002 -0.3815 C.ar 1 UNL1 -0.1695 9 C 2.9309 -0.4375 -0.0920 C.ar 1 UNL1 -0.0802 10 C 1.0370 0.9536 -0.1547 C.ar 1 UNL1 -0.0623 11 C 3.5083 0.7608 0.3732 C.ar 1 UNL1 -0.0517 12 C -0.3082 1.4599 -0.3259 C.ar 1 UNL1 -0.1062 13 C 0.7411 -1.4430 -0.9029 C.2 1 UNL1 0.4840 14 C 3.7257 -1.5873 -0.2245 C.ar 1 UNL1 -0.0470 15 C 4.8522 0.8464 0.7202 C.ar 1 UNL1 -0.3255 16 C -0.6786 -1.5570 -0.4898 C.ar 1 UNL1 -0.1799 17 C 5.0644 -1.5320 0.1127 C.ar 1 UNL1 -0.2503 18 C 5.6047 -0.3167 0.5804 C.ar 1 UNL1 0.3090 19 C -1.0438 1.8909 0.7884 C.ar 1 UNL1 -0.0614 20 C -0.8885 1.4755 -1.5992 C.ar 1 UNL1 -0.0466 21 C -1.0634 -1.3375 0.8313 C.ar 1 UNL1 -0.0455 22 C -1.6316 -1.8650 -1.4654 C.ar 1 UNL1 -0.0490 23 C -2.3636 2.2921 0.6450 C.ar 1 UNL1 -0.2588 24 C -2.2102 1.8750 -1.7656 C.ar 1 UNL1 -0.3096 25 C -2.9327 2.2599 -0.6340 C.ar 1 UNL1 0.3065 26 C -2.4116 -1.3491 1.1754 C.ar 1 UNL1 -0.2736 27 C -2.9812 -1.8675 -1.1442 C.ar 1 UNL1 -0.2030 28 C -3.3675 -1.5773 0.1763 C.ar 1 UNL1 0.2143 29 H 3.2828 -2.5138 -0.6026 H 1 UNL1 0.1830 30 H 5.2960 1.7673 1.0795 H 1 UNL1 0.1695 31 H 5.7139 -2.4009 0.0230 H 1 UNL1 0.1827 32 H -0.5838 1.8952 1.7782 H 1 UNL1 0.1617 33 H -0.3018 1.1620 -2.4647 H 1 UNL1 0.1618 34 H -0.3084 -1.1418 1.5958 H 1 UNL1 0.1643 35 H -1.3076 -2.0926 -2.4847 H 1 UNL1 0.1717 36 H -2.9577 2.6217 1.4934 H 1 UNL1 0.1772 37 H -2.6682 1.8768 -2.7487 H 1 UNL1 0.1663 38 H -2.7070 -1.1682 2.2042 H 1 UNL1 0.1630 39 H -3.7390 -2.0823 -1.8975 H 1 UNL1 0.1808 40 H 7.2746 0.5005 1.1993 H 1 UNL1 0.3286 41 H -4.6085 2.5592 -1.6043 H 1 UNL1 0.3320 @BOND 1 37 24 1 2 35 22 1 3 33 20 1 4 39 27 1 5 24 20 ar 6 24 25 ar 7 2 13 2 8 41 4 1 9 20 12 ar 10 22 27 ar 11 22 16 ar 12 27 28 ar 13 13 16 1 14 13 8 1 15 4 25 1 16 25 23 ar 17 29 14 1 18 16 21 ar 19 8 10 ar 20 8 9 ar 21 12 10 1 22 12 19 ar 23 14 9 ar 24 14 17 ar 25 10 1 ar 26 9 11 ar 27 31 17 1 28 17 18 ar 29 28 5 1 30 28 26 ar 31 11 1 ar 32 11 15 ar 33 5 6 2 34 18 15 ar 35 18 3 1 36 23 19 ar 37 23 36 1 38 15 30 1 39 19 32 1 40 21 26 ar 41 21 34 1 42 3 40 1 43 26 38 1 44 6 7 2