EXO0844 -OEChem-04222010222D 100100 0 1 0 0 0 0 0999 V2000 12.5442 2.3479 0.0000 Pt 0 2 0 0 0 0 0 0 0 0 0 0 0.0000 9.0380 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.7352 1.7601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3532 1.7601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4564 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6320 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2901 12.3973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6756 11.9319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4795 10.9319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0154 11.9319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8814 13.4319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0154 8.9319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7474 8.9319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 7.0380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.0380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5417 13.4319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5417 15.4319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9436 13.9319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3016 15.4666 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.2077 13.9111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0718 15.4561 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6135 12.4319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 7.0380 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 8.5380 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0442 3.8867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0442 3.8867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7352 2.9356 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 13.3532 2.9356 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 11.5095 4.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5789 4.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0234 5.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0650 5.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0442 0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0442 0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6756 13.9319 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.6756 14.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8096 13.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4077 13.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4077 14.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3016 13.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5417 12.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0776 13.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2077 14.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2115 13.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0776 12.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3455 12.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3455 13.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2115 11.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7474 11.9319 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4795 11.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7474 10.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8814 10.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8814 12.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8814 9.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 8.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 7.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 7.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 9.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1996 3.7913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8888 3.7913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1455 3.1272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3707 2.4340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9429 3.1272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7176 2.4340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0305 5.1743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0397 4.3760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0486 4.3760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0579 5.1743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1295 6.2976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4397 5.8958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6487 5.8958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9589 6.2976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1287 1.6312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9597 1.6312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6756 13.3119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4636 15.5145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0651 14.8243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4111 12.9570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2082 12.9570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5417 16.0519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9436 14.5519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0786 12.1219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7434 13.5990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2115 14.5519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6145 12.1219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8086 13.7419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2115 11.3119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0694 16.0761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6099 15.1481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7474 12.5519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9595 10.3493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3580 11.0396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6135 13.0519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6694 11.0145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2708 10.3243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4785 12.2419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0154 8.3119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 6.4180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 8.8480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 9.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 55 1 0 0 0 0 3 33 1 0 0 0 0 3 73 1 0 0 0 0 4 34 1 0 0 0 0 4 74 1 0 0 0 0 5 33 2 0 0 0 0 6 34 2 0 0 0 0 7 40 2 0 0 0 0 8 41 2 0 0 0 0 9 50 2 0 0 0 0 10 53 1 0 0 0 0 10 96 1 0 0 0 0 11 53 2 0 0 0 0 12 54 1 0 0 0 0 12 97 1 0 0 0 0 13 54 2 0 0 0 0 14 56 2 0 0 0 0 15 57 2 0 0 0 0 16 35 1 0 0 0 0 16 38 1 0 0 0 0 16 41 1 0 0 0 0 17 36 1 0 0 0 0 17 39 1 0 0 0 0 17 80 1 0 0 0 0 18 37 1 0 0 0 0 18 42 1 0 0 0 0 18 81 1 0 0 0 0 19 39 1 0 0 0 0 19 43 2 0 0 0 0 20 40 1 0 0 0 0 20 43 1 0 0 0 0 20 83 1 0 0 0 0 21 43 1 0 0 0 0 21 88 1 0 0 0 0 21 89 1 0 0 0 0 49 22 1 1 0 0 0 22 50 1 0 0 0 0 22 93 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 23 98 1 0 0 0 0 24 56 1 0 0 0 0 24 58 1 0 0 0 0 24 99 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 0 0 0 0 25 59 1 1 0 0 0 26 28 1 0 0 0 0 26 30 1 0 0 0 0 26 60 1 6 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 31 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 32 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 31 32 1 0 0 0 0 31 69 1 0 0 0 0 31 70 1 0 0 0 0 32 71 1 0 0 0 0 32 72 1 0 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 75 1 0 0 0 0 36 76 1 0 0 0 0 36 77 1 0 0 0 0 37 78 1 0 0 0 0 37 79 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 41 82 1 0 0 0 0 42 44 2 0 0 0 0 42 45 1 0 0 0 0 44 47 1 0 0 0 0 44 84 1 0 0 0 0 45 48 2 0 0 0 0 45 85 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 46 50 1 0 0 0 0 47 86 1 0 0 0 0 48 87 1 0 0 0 0 49 51 1 0 0 0 0 49 53 1 0 0 0 0 49 90 1 0 0 0 0 51 52 1 0 0 0 0 51 91 1 0 0 0 0 51 92 1 0 0 0 0 52 54 1 0 0 0 0 52 94 1 0 0 0 0 52 95 1 0 0 0 0 55 57 1 0 0 0 0 55 58 2 0 0 0 0 58100 1 0 0 0 0 M CHG 3 1 2 27 -1 28 -1 M END $$$$