BCA3S8 -OEChem-04012116582D 34 36 0 0 0 0 0 0 0999 V2000 2.0000 -1.9819 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 -0.3941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8144 1.2614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4131 2.2795 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4350 2.4874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9131 3.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 0.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8198 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2440 3.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3304 3.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 0.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 -0.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9076 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4644 3.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3729 4.4951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8676 1.0585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3334 -0.5857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9724 2.6334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5242 3.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8428 3.8666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7744 4.5188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9275 4.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1544 3.4450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.1719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.7919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.7919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.6019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 3 8 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 5 11 2 0 0 0 0 6 10 2 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 13 2 0 0 0 0 9 12 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 2 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 18 31 1 0 0 0 0 19 21 1 0 0 0 0 19 32 1 0 0 0 0 20 21 2 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 M END $$$$