B4MSG8 -OEChem-04012116112D 84 85 0 0 0 0 0 0 0999 V2000 12.4544 5.4527 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.7224 -4.5473 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.4902 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.3108 -6.0848 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 22.0428 -6.0914 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 5.4969 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.9903 -4.5473 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 13.3205 6.9527 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8.9624 4.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0804 -5.0819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7224 1.4527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3205 -2.0473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4544 4.4527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5884 -5.0473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9740 1.4181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0689 -2.0127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 5.9869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4429 -6.5814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4544 6.4527 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.8564 -4.0473 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.4544 5.4527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4544 5.4527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2224 -5.4133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2224 -3.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 4.9936 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 21.1788 -5.5881 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2354 6.3582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2287 4.6223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8075 -6.9527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8141 -5.2168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8564 2.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1865 -3.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8564 3.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1865 -4.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7224 2.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3205 -3.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 3.9735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9865 -4.5681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9624 2.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0804 -3.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7224 4.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3205 -5.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 2.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9865 -3.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5884 2.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4544 -3.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5884 3.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4544 -4.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1923 4.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8506 -5.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5884 0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4544 -1.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3243 3.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7185 -4.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 5.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8467 -6.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5884 -0.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4544 -0.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4602 4.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5826 -5.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3320 5.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7108 -6.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5788 -6.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7224 5.0727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3205 -5.6673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5206 2.6198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5222 -3.2144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1253 2.6427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9175 -3.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1990 0.8451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8005 1.5353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8439 -1.4396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2424 -2.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3219 3.3602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7209 -3.9548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7342 5.7848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3086 -6.3793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0515 -0.3573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9914 -0.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9221 4.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1208 -4.7702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3344 6.6002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7084 -7.1948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 19 1 0 0 0 0 1 21 2 0 0 0 0 1 22 2 0 0 0 0 2 14 1 0 0 0 0 2 20 1 0 0 0 0 2 23 2 0 0 0 0 2 24 2 0 0 0 0 3 17 1 0 0 0 0 3 25 1 0 0 0 0 3 27 2 0 0 0 0 3 28 2 0 0 0 0 4 18 1 0 0 0 0 4 26 1 0 0 0 0 4 29 2 0 0 0 0 4 30 2 0 0 0 0 9 33 1 0 0 0 0 9 37 1 0 0 0 0 10 34 1 0 0 0 0 10 38 1 0 0 0 0 11 35 1 0 0 0 0 11 51 1 0 0 0 0 12 36 1 0 0 0 0 12 52 1 0 0 0 0 13 47 1 0 0 0 0 14 48 1 0 0 0 0 15 39 2 0 0 0 0 16 40 2 0 0 0 0 17 63 1 0 0 0 0 18 64 1 0 0 0 0 31 33 2 0 0 0 0 31 35 1 0 0 0 0 31 39 1 0 0 0 0 32 34 2 0 0 0 0 32 36 1 0 0 0 0 32 40 1 0 0 0 0 33 41 1 0 0 0 0 34 42 1 0 0 0 0 35 45 2 0 0 0 0 36 46 2 0 0 0 0 37 43 2 0 0 0 0 37 49 1 0 0 0 0 38 44 2 0 0 0 0 38 50 1 0 0 0 0 39 43 1 0 0 0 0 40 44 1 0 0 0 0 41 47 2 0 0 0 0 41 65 1 0 0 0 0 42 48 2 0 0 0 0 42 66 1 0 0 0 0 43 67 1 0 0 0 0 44 68 1 0 0 0 0 45 47 1 0 0 0 0 45 69 1 0 0 0 0 46 48 1 0 0 0 0 46 70 1 0 0 0 0 49 53 2 0 0 0 0 49 55 1 0 0 0 0 50 54 2 0 0 0 0 50 56 1 0 0 0 0 51 57 1 0 0 0 0 51 71 1 0 0 0 0 51 72 1 0 0 0 0 52 58 1 0 0 0 0 52 73 1 0 0 0 0 52 74 1 0 0 0 0 53 59 1 0 0 0 0 53 75 1 0 0 0 0 54 60 1 0 0 0 0 54 76 1 0 0 0 0 55 61 2 0 0 0 0 55 77 1 0 0 0 0 56 62 2 0 0 0 0 56 78 1 0 0 0 0 57 58 2 0 0 0 0 57 79 1 0 0 0 0 58 80 1 0 0 0 0 59 63 2 0 0 0 0 59 81 1 0 0 0 0 60 64 2 0 0 0 0 60 82 1 0 0 0 0 61 63 1 0 0 0 0 61 83 1 0 0 0 0 62 64 1 0 0 0 0 62 84 1 0 0 0 0 M CHG 8 5 1 6 1 7 1 8 1 19 -1 20 -1 25 -1 26 -1 M END $$$$