L1QZV2 -OEChem-05022323222D 46 49 0 0 0 0 0 0 0999 V2000 4.8680 -0.4378 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.3259 2.3507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3797 0.6555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6476 0.6555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 -1.8854 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 -0.1629 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3797 3.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3259 3.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3797 2.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9095 3.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5136 2.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5136 4.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6476 -0.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7816 -0.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6771 -1.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6476 2.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5136 1.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6476 3.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4202 -2.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6989 -2.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1989 -1.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2123 -3.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3713 -2.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 -1.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9554 -4.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1144 -2.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9065 -3.8464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8633 4.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0748 4.5271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3704 2.7407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3704 3.5702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5136 4.7755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8597 -0.9271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2582 -0.2369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1107 2.3455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1107 3.9655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1107 0.9655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4467 -2.6134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6226 -3.6779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5002 -1.5927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8265 -4.7619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7041 -2.6767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3672 -4.2613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8688 -2.4518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -0.0981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 21 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 17 2 0 0 0 0 4 13 1 0 0 0 0 4 17 1 0 0 0 0 4 37 1 0 0 0 0 5 24 1 0 0 0 0 5 44 1 0 0 0 0 5 45 1 0 0 0 0 6 24 2 0 0 0 0 6 46 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 18 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 16 18 1 0 0 0 0 16 35 1 0 0 0 0 18 36 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 22 39 1 0 0 0 0 23 26 2 0 0 0 0 23 40 1 0 0 0 0 25 27 2 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 M END $$$$