B3NS1V -OEChem-04022103342D 45 48 0 1 0 0 0 0 0999 V2000 4.6497 -0.7328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2762 -2.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 0.2776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0501 -1.2434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8422 1.7927 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3981 0.3018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2641 1.8018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2641 0.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1950 0.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 0.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1114 1.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 1.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3820 -0.7398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1741 0.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0501 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2800 -1.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 2.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1821 -0.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1403 -2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6891 2.5379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6002 0.8468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7867 0.8569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7966 2.7767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9995 2.7767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9198 2.0570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5049 1.3384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8415 -1.0435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7074 0.6111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6566 2.6419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1790 3.3773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4436 2.8997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 2.9564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1963 2.1346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1164 -1.0490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8282 -3.3066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6760 -3.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4523 -2.2351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 1.3124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 1.0822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 0.2361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 39 1 0 0 0 0 2 18 1 0 0 0 0 2 23 1 0 0 0 0 3 21 1 0 0 0 0 3 24 1 0 0 0 0 4 20 2 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 17 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 1 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 25 1 1 0 0 0 8 15 2 0 0 0 0 9 12 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 13 2 0 0 0 0 10 16 1 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 30 1 0 0 0 0 12 31 1 0 0 0 0 13 19 1 0 0 0 0 14 18 2 0 0 0 0 14 32 1 0 0 0 0 15 20 1 0 0 0 0 15 33 1 0 0 0 0 16 21 2 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 20 1 0 0 0 0 19 22 2 0 0 0 0 19 37 1 0 0 0 0 21 22 1 0 0 0 0 22 38 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 M END $$$$