BJVQ52 -OEChem-04012120132D 89 91 0 1 0 0 0 0 0999 V2000 7.5687 -4.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3057 -0.9659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7436 -2.3480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3952 -2.1018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8748 -1.2749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4437 0.5444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3175 -1.8036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6331 -2.9819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1702 0.0819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1334 -2.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2354 -0.3781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8647 4.1610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8080 2.7084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9835 -3.5205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4010 1.5285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6381 -1.6495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0217 1.1651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0174 -1.2861 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3197 1.8911 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1061 3.4343 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3764 3.3437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6776 -3.8806 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1147 -1.5536 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5805 -2.8953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5221 -2.5894 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9237 -0.9659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0226 -3.4436 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6147 -0.0148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6147 -0.0148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7266 -4.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8578 -2.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0213 -3.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5624 0.9838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6744 -2.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6904 -2.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7471 -1.1955 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2920 1.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1307 1.6191 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6947 -0.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9084 -1.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5334 0.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0784 2.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9651 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0740 0.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4811 1.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9170 3.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2674 2.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6110 -4.7280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5798 -2.2142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0503 -3.2167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2740 -2.0212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3621 -0.5275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4524 -4.1770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4334 0.5781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 0.0961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2380 -4.5713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0177 -4.7370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2929 -2.4782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1910 -1.6999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8924 -3.9977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5737 -3.6727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3201 1.5545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9582 0.8444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4635 -3.8582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -2.8668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9276 -2.4194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4496 -1.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0010 0.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3686 2.1476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1581 -1.3118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2670 -0.8578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6507 1.9568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4525 0.3739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0906 -0.3363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7757 -0.2229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 0.4873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8361 3.1884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4743 2.4783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 1.5028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4974 -1.6238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5804 -0.3631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1463 0.3054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2388 1.9171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8770 1.2070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3847 4.4987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0736 4.0535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6585 3.1528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3440 3.9628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 3.0060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 27 1 0 0 0 0 2 23 1 0 0 0 0 2 29 1 0 0 0 0 24 3 1 1 0 0 0 3 65 1 0 0 0 0 25 4 1 1 0 0 0 4 66 1 0 0 0 0 26 5 1 1 0 0 0 5 67 1 0 0 0 0 28 6 1 1 0 0 0 6 68 1 0 0 0 0 7 34 2 0 0 0 0 8 35 2 0 0 0 0 9 37 2 0 0 0 0 10 40 2 0 0 0 0 11 44 2 0 0 0 0 12 46 1 0 0 0 0 12 85 1 0 0 0 0 13 46 2 0 0 0 0 14 30 1 0 0 0 0 14 34 1 0 0 0 0 14 64 1 0 0 0 0 15 33 1 0 0 0 0 15 37 1 0 0 0 0 15 69 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 16 70 1 0 0 0 0 17 38 1 0 0 0 0 17 44 1 0 0 0 0 17 79 1 0 0 0 0 18 40 1 0 0 0 0 18 43 1 0 0 0 0 18 80 1 0 0 0 0 19 45 1 0 0 0 0 19 47 2 0 0 0 0 20 47 1 0 0 0 0 20 86 1 0 0 0 0 20 87 1 0 0 0 0 21 47 1 0 0 0 0 21 88 1 0 0 0 0 21 89 1 0 0 0 0 22 24 1 0 0 0 0 22 30 1 0 0 0 0 22 48 1 1 0 0 0 23 26 1 0 0 0 0 23 31 1 0 0 0 0 23 49 1 1 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 27 1 0 0 0 0 25 51 1 0 0 0 0 26 28 1 0 0 0 0 26 52 1 0 0 0 0 27 32 1 0 0 0 0 27 53 1 1 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 29 33 1 0 0 0 0 29 55 1 1 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 31 34 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 35 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 36 39 1 0 0 0 0 36 40 1 0 0 0 0 36 71 1 0 0 0 0 37 38 1 0 0 0 0 38 42 1 0 0 0 0 38 72 1 0 0 0 0 39 41 1 0 0 0 0 39 73 1 0 0 0 0 39 74 1 0 0 0 0 41 45 1 0 0 0 0 41 75 1 0 0 0 0 41 76 1 0 0 0 0 42 46 1 0 0 0 0 42 77 1 0 0 0 0 42 78 1 0 0 0 0 43 44 1 0 0 0 0 43 81 1 0 0 0 0 43 82 1 0 0 0 0 45 83 1 0 0 0 0 45 84 1 0 0 0 0 M END $$$$