B40NAQ -OEChem-04012116422D 45 48 0 1 0 0 0 0 0999 V2000 4.8885 0.7514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6534 2.6203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0916 -2.6534 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2255 -2.1534 0.0000 N 0 3 2 0 0 0 0 0 0 0 0 0 6.2493 -0.1263 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7341 0.7959 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2748 -0.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2255 -0.3491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4664 -0.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1939 1.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7346 0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1942 1.7320 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6600 -1.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5992 -0.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4664 -1.7519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2493 -2.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5992 -2.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3746 -3.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2732 1.5101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2266 -0.6186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8711 -0.1703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8300 -0.2111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2255 0.2709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 2.3004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6021 1.8702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2276 0.5130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1905 1.3092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8596 2.2539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1447 -1.6378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1447 -0.8647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7646 -2.7628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5183 -2.9348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5992 -2.8726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7615 -3.2347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4670 -3.7553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9877 -3.0498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.0619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3188 3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.2136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.2875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 15 1 0 0 0 0 13 2 1 1 0 0 0 2 42 1 0 0 0 0 5 3 1 1 0 0 0 4 18 1 0 0 0 0 4 22 1 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 6 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 23 1 6 0 0 0 8 12 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 14 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 15 1 0 0 0 0 10 16 2 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 18 2 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 21 1 0 0 0 0 19 21 2 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 M CHG 2 3 -1 5 1 M END $$$$