@MOLECULE 7-(3-{[(4-azido-3-iodophenyl)sulfonyl]amino}-6,6-dimethylbicyclo[3.1.1]hept-2-yl)-5-heptenoic acid 34 34 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 I -3.6466 -0.6475 0.6647 I 1 UNL1 0.1109 2 S 1.8233 -0.1234 2.2672 S.O2 1 UNL1 2.4121 3 O 1.6324 -0.6701 3.5793 O.2 1 UNL1 -0.8292 4 O 1.7023 1.2952 2.0305 O.2 1 UNL1 -0.9277 5 O -5.8500 2.5265 -1.7238 O.2 1 UNL1 -0.3464 6 O -5.2039 3.4441 0.3270 O.2 1 UNL1 -0.3493 7 N 3.3721 -0.6368 1.6774 N.2 1 UNL1 -0.6958 8 N -2.2221 -2.5328 -1.6424 N.2 1 UNL1 -0.4075 9 N -1.9209 -3.2953 -2.5991 N.2 1 UNL1 0.4376 10 N -1.8935 -3.9711 -3.5042 N.2 1 UNL1 -0.0965 11 C 5.2296 1.2292 -0.8877 C.2 1 UNL1 -0.5415 12 C 7.4392 -0.1083 -0.9886 C.2 1 UNL1 -0.6994 13 C 6.1278 0.1144 -0.4829 C.2 1 UNL1 0.1136 14 C 5.5177 2.2262 -1.7060 C.2 1 UNL1 0.4615 15 C 3.9431 1.0361 -0.1854 C.2 1 UNL1 -0.0738 16 C 5.4360 -0.5856 0.4188 C.2 1 UNL1 -0.0549 17 C 4.1133 -0.1360 0.7758 C.2 1 UNL1 0.3390 18 C 8.2731 0.5691 -1.8493 C.3 1 UNL1 0.2936 19 C 8.3561 -1.1071 -0.7806 C.2 1 UNL1 0.3950 20 C 2.8253 1.6809 -0.3715 C.1 1 UNL1 -0.0091 21 C 1.6740 2.2879 -0.5048 C.2 1 UNL1 -0.0469 22 C 0.6989 1.8728 -1.4980 C.3 1 UNL1 -0.3837 23 C 0.7136 -0.9056 1.1487 C.ar 1 UNL1 -0.4448 24 C -0.5840 2.1184 -1.3841 C.1 1 UNL1 0.4383 25 C -0.6523 -0.7314 1.1303 C.ar 1 UNL1 0.1593 26 C 0.9667 -1.7460 0.0900 C.ar 1 UNL1 0.1435 27 C -1.8427 2.3291 -1.2863 C.1 1 UNL1 -0.7047 28 C -1.6538 -1.1921 0.3155 C.ar 1 UNL1 -0.2438 29 C 0.1064 -2.2386 -0.7436 C.ar 1 UNL1 -0.2221 30 C -1.2614 -2.0463 -0.7643 C.ar 1 UNL1 0.2630 31 C -3.1014 2.5418 -1.1643 C.3 1 UNL1 0.4148 32 C -5.4818 2.9737 -0.7078 C.1 1 UNL1 0.6811 33 H 1.4028 3.1145 0.1717 H 1 UNL1 0.2016 34 H 1.0816 1.3208 -2.3655 H 1 UNL1 0.2123 @BOND 1 10 9 2 2 9 8 2 3 34 22 1 4 18 12 1 5 5 32 2 6 14 11 2 7 8 30 1 8 22 24 1 9 22 21 1 10 24 27 3 11 27 31 1 12 12 19 2 13 12 13 1 14 11 13 1 15 11 15 1 16 30 29 ar 17 30 28 ar 18 29 26 ar 19 32 6 2 20 21 20 2 21 21 33 1 22 13 16 2 23 20 15 2 24 15 17 1 25 26 23 ar 26 28 1 1 27 28 25 ar 28 16 17 1 29 17 7 2 30 25 23 ar 31 23 2 1 32 7 2 1 33 4 2 2 34 2 3 2