B3IP0Z -OEChem-04022103243D 59 62 0 0 0 0 0 0 0999 V2000 -4.1176 -0.4361 1.4553 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2229 -0.8129 2.5415 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1435 0.5703 1.6918 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5092 0.6320 -3.5378 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 -0.2088 2.6063 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8660 -1.8467 0.8474 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6974 1.2035 -3.0206 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1824 -1.0125 -0.9481 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3501 -0.6007 -1.1604 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4053 1.2331 0.9870 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1568 3.7972 -0.5227 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1560 0.0936 0.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0714 0.0660 -1.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6484 0.9423 -2.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0423 -2.9759 0.3926 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8409 -0.3658 -0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2573 -0.1890 -1.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7058 0.9677 -0.8401 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9617 1.4098 -1.9377 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4575 0.5244 -2.7387 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3152 -3.2294 -1.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3657 -4.1957 1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2859 -1.4325 -0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7006 -1.1738 0.7843 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9721 2.4589 1.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1795 -0.0357 1.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8010 -2.5292 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6304 -2.0119 1.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5926 2.8589 1.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7308 -3.3674 -0.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1455 -3.1087 0.7088 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4965 2.6837 2.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3715 3.4151 -0.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7692 3.0645 1.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8846 3.6115 0.3191 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9782 -2.7680 0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3986 -1.0398 0.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8533 -1.8286 0.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7295 1.3202 -0.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3905 2.0896 -2.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8343 1.8098 -3.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0737 -2.3469 -1.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7117 -4.0649 -1.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3699 -3.4690 -1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7654 -5.0579 0.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1576 -3.9985 2.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4233 -4.4703 1.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2782 1.2329 -4.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6905 3.2422 1.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0160 2.3389 2.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4852 -2.7391 -2.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -1.8212 2.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8972 1.3078 0.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1320 -4.2212 -1.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8698 -3.7610 1.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6147 2.2497 3.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1868 3.5750 -0.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6384 2.9351 2.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8496 3.9263 -0.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 4 20 1 0 0 0 0 4 48 1 0 0 0 0 5 26 2 0 0 0 0 6 15 1 0 0 0 0 6 38 1 0 0 0 0 7 14 1 0 0 0 0 7 20 1 0 0 0 0 7 41 1 0 0 0 0 8 9 2 0 0 0 0 8 17 1 0 0 0 0 9 23 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 53 1 0 0 0 0 11 33 1 0 0 0 0 11 35 2 0 0 0 0 12 16 2 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 14 19 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 27 2 0 0 0 0 24 26 1 0 0 0 0 24 28 2 0 0 0 0 25 29 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 27 30 1 0 0 0 0 27 51 1 0 0 0 0 28 31 1 0 0 0 0 28 52 1 0 0 0 0 29 32 1 0 0 0 0 29 33 2 0 0 0 0 30 31 2 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 32 34 2 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 34 35 1 0 0 0 0 34 58 1 0 0 0 0 35 59 1 0 0 0 0 M END $$$$