BTWJ31 -OEChem-04012112122D 53 57 0 0 0 0 0 0 0999 V2000 7.7210 0.1843 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.2743 4.9369 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.9142 3.6758 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 4.2971 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.5709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.4291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6715 -0.1263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7705 0.4950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -2.5709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -1.0709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4103 -0.7662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4103 -2.3756 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9939 -1.5709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -4.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -4.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -3.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -2.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -2.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -1.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -0.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 -1.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0317 1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0102 1.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3638 1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3208 2.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6745 2.8297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6530 3.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9636 3.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5716 -3.4720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8395 -0.4720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6244 -3.4603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1494 -4.2830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7571 -5.3355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7070 -5.3355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8923 -0.4603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4174 -1.2830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -2.3355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -2.3355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8101 -4.1535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2087 -3.4632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 -0.0960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4675 -0.0960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3039 -2.1078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3039 -1.0340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4242 0.8796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7571 1.7513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9275 2.4194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2604 3.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 11 1 0 0 0 0 1 27 1 0 0 0 0 2 33 1 0 0 0 0 3 33 1 0 0 0 0 4 33 1 0 0 0 0 5 22 2 0 0 0 0 6 25 2 0 0 0 0 9 20 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 25 1 0 0 0 0 11 24 1 0 0 0 0 11 26 1 0 0 0 0 12 23 1 0 0 0 0 12 26 2 0 0 0 0 13 26 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 20 1 0 0 0 0 14 34 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 15 21 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 50 1 0 0 0 0 29 31 2 0 0 0 0 29 51 1 0 0 0 0 30 32 2 0 0 0 0 30 52 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 32 33 1 0 0 0 0 M END $$$$