B5TNV3 -OEChem-04042103313D 40 41 0 0 0 0 0 0 0999 V2000 -3.9496 -2.3161 0.6580 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 -0.5401 0.4853 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3682 -2.1040 -1.5501 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6572 0.1144 -0.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1400 -0.0608 -0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2953 -1.2400 -0.5591 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2812 0.6192 1.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0440 1.1248 -1.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6484 -0.9422 0.9605 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.6612 -0.8036 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3876 -0.3797 0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2722 -1.1016 1.1222 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 0.5017 -0.6419 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0941 0.3300 0.2901 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3460 -0.1620 -0.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9091 1.7006 0.4713 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4130 0.7165 -0.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9762 2.5793 0.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2281 2.0872 -0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5722 -1.5885 -0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8521 -1.6424 -1.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1653 -1.9931 0.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3737 -1.1358 -0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1512 -0.0950 1.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8275 1.5669 1.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3590 0.7862 1.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6619 2.1296 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6741 0.8148 -2.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1342 1.2126 -1.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3150 -1.5163 1.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5833 1.3547 -1.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9011 -1.7906 1.8767 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2138 1.0590 -1.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2651 -1.4538 0.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9531 2.1124 0.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3938 0.3457 -0.5535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8339 3.6460 0.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0592 2.7712 -0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0661 -1.5220 -2.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5164 -3.0885 -1.7449 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 2 34 1 0 0 0 0 3 20 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 12 1 0 0 0 0 9 30 1 0 0 0 0 10 13 2 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 2 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 17 19 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 M END $$$$