@MOLECULE (1s,9r)-1,4:3,9-dianhydro-1-[(1s)-3-bromopropadienyl]-9-[(1r)-1-bromopropyl]-2,5,8-trideoxy-l-gluco-nonitol 43 44 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.6607 -1.9834 1.1071 C.3 1 UNL1 0.1221 2 C 1.1582 -3.1404 0.2176 C.3 1 UNL1 0.1568 3 C 2.8885 -0.4559 -0.4957 C.3 1 UNL1 0.0929 4 C 0.1482 -1.6258 -1.5958 C.3 1 UNL1 0.0650 5 C 0.7174 -0.1835 -1.5265 C.3 1 UNL1 0.0740 6 C -1.5147 -0.3698 -0.5567 C.3 1 UNL1 0.1346 7 C 3.8402 0.7481 -0.3873 C.3 1 UNL1 -0.1025 8 C 3.9024 1.5238 -1.6976 C.3 1 UNL1 -0.2705 9 C 5.0168 2.5682 -1.7028 C.3 1 UNL1 -0.4394 10 H 2.3447 -4.3903 1.1847 H 1 UNL1 0.3391 11 H 1.9940 -1.9354 3.0694 H 1 UNL1 0.3276 12 C 3.0289 -1.4326 0.6840 C.3 1 UNL1 -0.3701 13 C 1.0614 -2.7979 -1.2743 C.3 1 UNL1 -0.3343 14 C -0.5268 0.6516 -1.1546 C.3 1 UNL1 -0.3420 15 O 2.0917 -4.2105 0.2528 O.3 1 UNL1 -0.5803 16 O 1.7966 -2.5986 2.3835 O.3 1 UNL1 -0.5924 17 O 1.5810 0.0838 -0.4445 O.3 1 UNL1 -0.3966 18 O -0.9266 -1.6628 -0.6609 O.3 1 UNL1 -0.3995 19 BR 3.1975 1.9317 1.0620 Br 1 UNL1 -0.1331 20 BR -6.0639 0.6418 0.5632 Br 1 UNL1 -0.0410 21 C -2.8184 -0.3919 -1.3023 C.2 1 UNL1 -0.1936 22 C -4.7934 1.2028 -0.7333 C.2 1 UNL1 -0.1963 23 C -3.8034 0.4158 -1.0256 C.1 1 UNL1 -0.0318 24 H -0.3041 -1.7699 -2.6089 H 1 UNL1 0.1237 25 H 1.2004 0.1249 -2.4709 H 1 UNL1 0.1197 26 H 3.0722 -0.9859 -1.4578 H 1 UNL1 0.1287 27 H 3.5062 -0.9507 1.5574 H 1 UNL1 0.1586 28 H 3.7005 -2.2720 0.4108 H 1 UNL1 0.1698 29 H 0.8873 -1.1845 1.1869 H 1 UNL1 0.1570 30 H 0.1874 -3.5250 0.6110 H 1 UNL1 0.1443 31 H 2.0746 -2.6417 -1.6915 H 1 UNL1 0.1597 32 H 0.6884 -3.7114 -1.7926 H 1 UNL1 0.1677 33 H -0.2607 1.4344 -0.4166 H 1 UNL1 0.1819 34 H -0.9374 1.1784 -2.0283 H 1 UNL1 0.1564 35 H -1.6615 -0.2400 0.5400 H 1 UNL1 0.1576 36 H 4.8495 0.4257 -0.0591 H 1 UNL1 0.1604 37 H 4.0667 0.8150 -2.5368 H 1 UNL1 0.1425 38 H 2.9261 2.0071 -1.9114 H 1 UNL1 0.1584 39 H 4.8264 3.3761 -0.9849 H 1 UNL1 0.1577 40 H 5.9886 2.1289 -1.4504 H 1 UNL1 0.1462 41 H 5.1149 3.0368 -2.6892 H 1 UNL1 0.1452 42 H -2.8914 -1.1529 -2.0850 H 1 UNL1 0.1879 43 H -5.0091 2.1785 -1.1419 H 1 UNL1 0.1879 @BOND 1 41 9 1 2 24 4 1 3 37 8 1 4 25 5 1 5 42 21 1 6 34 14 1 7 38 8 1 8 32 13 1 9 9 8 1 10 9 40 1 11 9 39 1 12 8 7 1 13 31 13 1 14 4 5 1 15 4 13 1 16 4 18 1 17 5 14 1 18 5 17 1 19 26 3 1 20 21 23 2 21 21 6 1 22 13 2 1 23 14 6 1 24 14 33 1 25 43 22 1 26 23 22 2 27 22 20 1 28 18 6 1 29 6 35 1 30 3 17 1 31 3 7 1 32 3 12 1 33 7 36 1 34 7 19 1 35 2 15 1 36 2 30 1 37 2 1 1 38 15 10 1 39 28 12 1 40 12 1 1 41 12 27 1 42 1 29 1 43 1 16 1 44 16 11 1