EXO4611 -OEChem-04222010192D 95 99 0 1 0 0 0 0 0999 V2000 4.2398 3.9019 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8357 11.1179 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7846 6.8546 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.9308 4.8530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0488 4.4897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5748 1.8802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8796 0.5897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5269 1.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1707 9.0962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4756 7.8056 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.1228 8.3409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9434 10.2993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0873 13.3904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9866 14.1609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5082 16.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2887 2.5929 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5501 2.9118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8846 9.8088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4161 2.4118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1707 11.5216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1593 3.0810 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7594 12.9387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3145 14.6126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 16.5434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8275 3.0929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2887 3.5929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2398 2.2839 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2804 3.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2804 2.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6366 2.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6366 3.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5488 1.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8846 10.8089 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4235 10.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8357 9.4998 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8763 10.8130 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8763 9.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7580 3.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2325 10.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2325 9.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1447 8.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7526 3.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 11.2647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4986 11.9733 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5321 11.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8265 12.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2713 10.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0537 13.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 12.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3048 10.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6089 15.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5992 11.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8697 16.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2810 14.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5418 15.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0969 17.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3913 18.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1575 4.4327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8014 1.8454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2821 4.2170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6604 3.5979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1906 2.0744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9833 1.9911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.1791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1382 4.0451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2721 4.1822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7534 11.6487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3973 9.0614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1154 11.3851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0712 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3432 4.3507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5969 10.3950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7341 11.2611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8680 11.3982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8680 9.2195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7341 9.3566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5969 10.2227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3324 12.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0626 4.5314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0611 12.4126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3586 13.0979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9882 13.0235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7088 10.3117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4225 12.6075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1432 9.8957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0475 15.5844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2522 14.8140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.0435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8169 16.9043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2522 16.3419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6583 17.2456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4536 18.0159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8306 18.6549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9538 18.6567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9520 17.7799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 6 29 2 0 0 0 0 7 32 1 0 0 0 0 7 70 1 0 0 0 0 8 32 2 0 0 0 0 9 37 2 0 0 0 0 10 41 1 0 0 0 0 11 41 2 0 0 0 0 12 43 2 0 0 0 0 13 48 2 0 0 0 0 14 54 2 0 0 0 0 15 55 2 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 16 29 1 0 0 0 0 17 19 1 0 0 0 0 17 30 1 0 0 0 0 17 38 1 0 0 0 0 18 33 1 0 0 0 0 18 35 1 0 0 0 0 18 37 1 0 0 0 0 19 21 2 0 0 0 0 36 20 1 1 0 0 0 20 43 1 0 0 0 0 20 78 1 0 0 0 0 21 42 1 0 0 0 0 44 22 1 6 0 0 0 22 48 1 0 0 0 0 22 81 1 0 0 0 0 23 48 1 0 0 0 0 23 51 1 0 0 0 0 23 54 1 0 0 0 0 24 53 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 27 1 0 0 0 0 25 30 1 0 0 0 0 25 31 1 6 0 0 0 26 28 1 0 0 0 0 26 58 1 6 0 0 0 27 32 1 6 0 0 0 27 59 1 0 0 0 0 28 29 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 33 36 1 0 0 0 0 33 67 1 6 0 0 0 34 35 1 0 0 0 0 34 39 1 0 0 0 0 34 40 1 0 0 0 0 35 41 1 6 0 0 0 35 68 1 0 0 0 0 36 37 1 0 0 0 0 36 69 1 0 0 0 0 38 42 2 0 0 0 0 38 71 1 0 0 0 0 39 72 1 0 0 0 0 39 73 1 0 0 0 0 39 74 1 0 0 0 0 40 75 1 0 0 0 0 40 76 1 0 0 0 0 40 77 1 0 0 0 0 42 79 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 44 80 1 0 0 0 0 45 46 2 0 0 0 0 45 47 1 0 0 0 0 46 49 1 0 0 0 0 46 82 1 0 0 0 0 47 50 2 0 0 0 0 47 83 1 0 0 0 0 49 52 2 0 0 0 0 49 84 1 0 0 0 0 50 52 1 0 0 0 0 50 85 1 0 0 0 0 51 53 1 0 0 0 0 51 86 1 0 0 0 0 51 87 1 0 0 0 0 52 88 1 0 0 0 0 53 89 1 0 0 0 0 53 90 1 0 0 0 0 54 55 1 0 0 0 0 56 57 1 0 0 0 0 56 91 1 0 0 0 0 56 92 1 0 0 0 0 57 93 1 0 0 0 0 57 94 1 0 0 0 0 57 95 1 0 0 0 0 M CHG 2 3 1 10 -1 M END $$$$