B6COE8 -OEChem-04022102153D 33 33 0 1 0 0 0 0 0999 V2000 5.0700 0.1380 -0.2572 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4623 2.1435 1.8059 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6304 1.1022 -0.6412 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8164 1.2419 -1.6629 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6835 -1.1591 -0.0171 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9874 1.6608 0.5469 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5490 1.5933 0.5858 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6510 0.3303 0.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1981 1.1748 -0.7308 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5264 0.1659 -0.7954 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3759 -0.7436 1.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1271 -1.0725 -1.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9767 -1.9820 0.8978 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8523 -2.1465 -0.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3952 -0.0063 -0.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2492 -2.4407 0.3627 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2501 2.4320 -0.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8829 0.9306 1.3946 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9368 2.5805 0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 0.2322 -1.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9759 1.9316 -1.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7061 -0.6366 1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1425 1.9555 -0.8443 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0438 3.0060 1.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8114 -1.2147 -1.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7644 -2.8176 1.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3202 -3.1107 -0.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4561 1.0831 -2.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4352 2.1669 -1.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6721 -1.1187 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9372 -2.7831 -0.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4333 -3.1590 0.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7796 -2.3346 1.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 6 1 0 0 0 0 2 24 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 3 23 1 0 0 0 0 4 10 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 12 2 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 M END $$$$