@MOLECULE (5e)-7-(3-{[3-(4-azido-3-iodophenyl)-2-hydroxypropyl]amino}-6,6-dimethylbicyclo[3.1.1]hept-2-yl)-5-heptenoic acid 35 37 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 I 5.8559 -2.0265 0.5784 I 1 UNL1 0.1314 2 O -0.1715 -0.1742 -0.7274 O.2 1 UNL1 -0.3309 3 O -8.9379 -4.8123 -1.5592 O.co2 1 UNL1 -0.0871 4 O -10.0908 -4.2404 0.2653 O.co2 1 UNL1 -0.4038 5 N -1.7575 2.1823 0.9609 N.3 1 UNL1 0.0524 6 N 7.1159 0.6175 -0.9298 N.2 1 UNL1 -0.3591 7 N 7.7992 1.4132 -1.6259 N.2 1 UNL1 0.4139 8 N 8.5936 1.9557 -2.2231 N.2 1 UNL1 -0.1031 9 C -5.2419 3.2197 0.1729 C.2 1 UNL1 0.0107 10 C -6.1178 2.9507 -0.8879 C.3 1 UNL1 -0.2724 11 C -4.2374 4.6424 1.7851 C.2 1 UNL1 -0.0454 12 C -5.2355 4.3300 0.9610 C.2 1 UNL1 0.0472 13 C -4.1124 2.2874 0.4438 C.2 1 UNL1 -0.0131 14 C -3.1212 3.9797 1.8763 C.2 1 UNL1 0.0179 15 C -2.8937 2.8029 1.1498 C.3 1 UNL1 -0.0265 16 C -6.4918 2.2314 -1.9449 C.3 1 UNL1 -0.0363 17 C -7.2797 3.3759 -1.7367 C.3 1 UNL1 0.2370 18 C -4.1941 1.0208 0.0828 C.1 1 UNL1 -0.0628 19 C -4.3083 -0.2326 -0.2583 C.2 1 UNL1 -0.1268 20 C -0.8348 1.5450 0.6162 C.3 1 UNL1 -0.0736 21 C 0.1693 0.7941 -0.0510 C.2 1 UNL1 0.4561 22 C -4.8404 -1.2248 0.6780 C.3 1 UNL1 -0.0803 23 C 1.5108 1.1888 0.0361 C.1 1 UNL1 -0.0704 24 C -5.8663 -1.9791 0.3884 C.3 1 UNL1 -0.0444 25 C 2.8441 1.1529 -0.0754 C.2 1 UNL1 0.0095 26 C -6.9252 -2.7097 0.1063 C.1 1 UNL1 0.0618 27 C -7.9296 -3.3791 -0.1492 C.1 1 UNL1 -0.1684 28 C 3.7068 0.0674 0.2337 C.2 1 UNL1 0.0590 29 C 3.7285 2.1096 -0.5968 C.2 1 UNL1 0.0377 30 C 5.0153 -0.1828 0.0290 C.2 1 UNL1 -0.1704 31 C 4.9903 1.9695 -0.8322 C.2 1 UNL1 -0.1400 32 C -9.0914 -4.1552 -0.4119 C.2 1 UNL1 0.5216 33 C 5.7963 0.8631 -0.6151 C.3 1 UNL1 0.1665 34 H -4.0209 -0.6022 -1.2523 H 1 UNL1 0.1983 35 H -4.3291 -1.2958 1.6491 H 1 UNL1 0.1941 @BOND 1 8 7 2 2 16 17 1 3 16 10 1 4 17 10 1 5 7 6 2 6 3 32 ar 7 34 19 1 8 6 33 1 9 10 9 1 10 31 33 1 11 31 29 2 12 2 21 1 13 33 30 1 14 29 25 1 15 32 27 1 16 32 4 ar 17 19 18 2 18 19 22 1 19 27 26 3 20 25 23 2 21 25 28 1 22 21 23 2 23 21 20 1 24 30 28 2 25 30 1 1 26 18 13 2 27 26 24 1 28 9 13 1 29 9 12 2 30 24 22 1 31 13 15 1 32 20 5 1 33 22 35 1 34 5 15 1 35 12 11 1 36 15 14 1 37 11 14 2