B1JUP2 -OEChem-04022105592D 71 72 0 0 0 0 0 0 0999 V2000 6.0481 2.4984 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0481 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.0592 6.3998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1166 7.6614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4756 10.6686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0755 12.7759 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4756 9.0591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9313 8.8639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0653 10.3639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7863 11.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7648 11.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0592 9.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5294 10.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5294 9.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0592 9.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0540 12.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4076 13.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6634 10.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5592 8.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6634 8.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7974 10.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7974 9.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3646 13.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7183 14.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5592 8.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0592 8.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0592 8.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5592 7.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5592 7.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0653 9.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1993 8.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0592 6.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2857 9.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0948 7.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5592 5.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6166 8.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7657 12.2388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1725 11.7065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7854 11.2057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3786 11.7380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6418 10.0759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9516 10.4744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0745 12.3624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6678 12.8947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8607 13.8122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0251 13.0323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6634 11.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6634 8.2439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2604 10.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9539 13.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5572 14.5219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7753 14.1252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3076 14.2781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9109 15.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1290 14.6633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8692 9.5348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4392 8.1318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6792 8.1318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2492 6.7288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6418 6.6118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9516 7.0103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5284 10.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6022 10.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1568 9.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5555 7.4545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0223 5.2237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8692 4.9968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0962 5.8437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.5923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0481 2.4984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0481 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 70 1 0 0 0 0 2 71 1 0 0 0 0 3 29 1 0 0 0 0 3 32 1 0 0 0 0 4 34 1 0 0 0 0 4 36 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 11 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 12 2 0 0 0 0 7 14 1 0 0 0 0 8 22 1 0 0 0 0 8 30 2 0 0 0 0 9 30 1 0 0 0 0 9 62 1 0 0 0 0 9 63 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 15 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 20 1 0 0 0 0 15 19 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 23 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 24 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 21 2 0 0 0 0 18 47 1 0 0 0 0 19 25 2 0 0 0 0 19 26 1 0 0 0 0 20 22 2 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 27 1 0 0 0 0 25 56 1 0 0 0 0 26 28 2 0 0 0 0 26 57 1 0 0 0 0 27 29 2 0 0 0 0 27 58 1 0 0 0 0 28 29 1 0 0 0 0 28 59 1 0 0 0 0 30 31 1 0 0 0 0 31 33 1 0 0 0 0 31 34 2 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 36 2 0 0 0 0 33 64 1 0 0 0 0 34 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 35 68 1 0 0 0 0 36 69 1 0 0 0 0 M END $$$$