L2PUD3 -OEChem-05022323332D 42 45 0 0 0 0 0 0 0999 V2000 2.9505 -2.0458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2612 -2.9963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6399 -1.0953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4699 -0.3695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9010 -1.7352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8638 0.4352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2607 2.6023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4485 2.4070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8021 -1.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0578 -0.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5959 -2.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1073 -0.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -2.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7806 -1.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2607 0.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4586 -0.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1268 1.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3947 1.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3947 2.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1268 2.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4485 0.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8649 1.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5457 -0.0634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7658 0.1009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6832 -2.7062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2155 -2.1129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0199 -0.1428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4876 -0.7361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1574 -2.7856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9374 -2.9499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6527 -1.9267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3873 -1.4479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9084 -0.7134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7686 -1.0095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8074 -1.7672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4107 -2.5491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1926 -2.9458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6637 2.4123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2559 0.2082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2559 2.9963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2449 1.6023 0.0000 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 5 1 0 0 0 0 1 19 1 0 0 0 0 4 9 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 16 2 0 0 0 0 6 17 1 0 0 0 0 7 20 2 0 0 0 0 7 21 1 0 0 0 0 8 20 1 0 0 0 0 8 23 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 17 1 0 0 0 0 15 18 2 0 0 0 0 16 35 1 0 0 0 0 17 21 2 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$