B4R6ES -OEChem-04042107013D 57 59 0 0 0 0 0 0 0999 V2000 -8.5071 2.3862 -0.0623 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5321 -1.7467 -0.8557 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1231 -4.4270 -0.4148 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6531 -1.5808 1.1698 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8014 -0.4713 -0.6361 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2753 0.2753 -0.2176 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7798 1.5468 0.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6566 2.7131 -1.6464 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4973 0.9870 -0.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6987 -2.9832 0.3259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5751 -2.6001 -0.3955 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6828 2.1798 -0.8344 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9213 2.3545 0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2898 -2.1192 -0.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8719 -3.9449 -0.1744 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8947 2.8636 -0.7376 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5239 0.4779 0.6599 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7359 1.1615 0.7566 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 -4.3281 0.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 -4.8090 0.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0386 -2.4812 0.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4262 -0.3804 -0.4598 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2172 3.0851 0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9499 -0.9159 0.4183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5591 -1.3433 0.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8158 0.2134 -0.3796 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8775 2.4214 0.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1768 1.9635 -0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6604 3.7413 0.5841 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2591 2.8256 0.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7425 4.6033 0.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0418 4.1455 0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3427 -5.8137 -0.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0593 -1.0755 -0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0418 3.7931 -1.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4655 -0.4360 1.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5296 0.7548 1.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1607 -5.0161 0.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0412 -5.8642 0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5671 0.6956 -0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6446 -3.0945 1.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8449 0.1735 -1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9834 -0.2724 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0680 4.1669 0.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6973 2.9041 1.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8966 2.7603 -0.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0065 -0.7120 -0.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8659 1.9582 0.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8178 3.5806 -2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7643 2.2533 -1.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4243 0.9574 -0.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6529 4.1108 0.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5736 5.6311 1.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8846 4.8164 0.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3892 -6.0237 -0.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2091 -6.0574 0.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7309 -6.4446 -0.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 11 1 0 0 0 0 2 22 1 0 0 0 0 3 15 1 0 0 0 0 3 33 1 0 0 0 0 4 24 2 0 0 0 0 5 26 2 0 0 0 0 6 9 1 0 0 0 0 6 24 1 0 0 0 0 6 40 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 7 48 1 0 0 0 0 8 12 1 0 0 0 0 8 49 1 0 0 0 0 8 50 1 0 0 0 0 9 12 2 0 0 0 0 9 17 1 0 0 0 0 10 14 2 0 0 0 0 10 19 1 0 0 0 0 10 21 1 0 0 0 0 11 14 1 0 0 0 0 11 15 2 0 0 0 0 12 16 1 0 0 0 0 13 16 2 0 0 0 0 13 18 1 0 0 0 0 13 23 1 0 0 0 0 14 34 1 0 0 0 0 15 20 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 25 2 0 0 0 0 21 41 1 0 0 0 0 22 26 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 25 47 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 51 1 0 0 0 0 29 31 2 0 0 0 0 29 52 1 0 0 0 0 30 32 2 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 32 54 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 M END $$$$