B3WQG7 -OEChem-04012116392D 48 49 0 1 0 0 0 0 0999 V2000 4.5981 -5.0518 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7329 3.5186 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -0.5518 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 0.9870 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0518 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5518 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5518 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.0518 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1452 2.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5519 1.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 0.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7275 3.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3262 4.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 0.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3152 4.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6551 0.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9140 5.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5018 6.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7145 3.1556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6312 2.3629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9826 1.3501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0659 2.1428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5566 2.8181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2847 3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8955 4.8782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8122 4.0855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8628 -0.1556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8168 3.8587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6797 4.7247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8136 4.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0654 -0.1556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.7418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.3618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -6.6344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -5.9441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.7418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8662 6.5518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -6.0149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -6.8618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -7.0887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 2 0 0 0 0 2 9 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 14 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 11 1 0 0 0 0 4 16 2 0 0 0 0 5 17 2 0 0 0 0 5 21 1 0 0 0 0 6 20 1 0 0 0 0 6 22 1 0 0 0 0 6 40 1 0 0 0 0 7 20 1 0 0 0 0 7 21 2 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 14 2 0 0 0 0 12 15 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 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 18 20 2 0 0 0 0 18 39 1 0 0 0 0 19 24 3 0 0 0 0 21 41 1 0 0 0 0 23 25 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 M END $$$$