B3MVY5 -OEChem-04012115062D 54 58 0 1 0 0 0 0 0999 V2000 4.0000 0.4560 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0081 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -0.4101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4372 -0.0512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -1.2761 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0000 -3.0081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4809 -2.0851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0687 -1.2761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7899 0.4840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6951 3.5451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -1.2761 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5000 -2.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -2.1421 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5000 -0.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -1.2761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5836 -0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5836 -2.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5298 -0.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5298 -1.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4809 -0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -0.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -2.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7681 0.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0771 1.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4079 2.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0552 1.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7170 3.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3642 2.8019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3100 -1.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3923 -2.7527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 -2.3542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8800 -2.1421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 -0.1980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3923 0.2005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6900 -0.7391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8346 0.0956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0462 -0.1621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0462 -2.3900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8346 -2.6477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 -3.5451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3800 -3.0081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6725 -2.6748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -2.6790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3750 0.9447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 0.1269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -1.2761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8015 2.2572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4701 1.3901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3021 3.7979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9707 2.9308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 24 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 27 2 0 0 0 0 11 5 1 6 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 13 6 1 6 0 0 0 6 44 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 7 46 1 0 0 0 0 8 21 2 0 0 0 0 9 21 1 0 0 0 0 9 27 1 0 0 0 0 9 48 1 0 0 0 0 10 31 2 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 20 1 1 0 0 0 15 39 1 0 0 0 0 16 18 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 19 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 26 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 51 1 0 0 0 0 30 32 2 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 32 54 1 0 0 0 0 M END $$$$