BT3DB5 -OEChem-04012120182D 52 53 0 1 0 0 0 0 0999 V2000 15.2260 -3.5311 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 13.2260 -0.0670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0311 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 14.0920 0.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3600 -0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5311 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7320 2.0311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7260 0.7990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 2.5311 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1424 3.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 1.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 2.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2260 1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7260 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7260 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7260 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2260 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2260 -1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7260 -2.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7260 -2.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0077 1.9788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6798 3.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8913 3.9027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8913 1.1595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6798 1.4171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3086 2.7431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6183 3.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6434 1.4530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3336 1.0545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8086 1.8771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1183 2.2756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.1511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.9111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1434 0.5870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8336 0.1885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 4.0060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 4.0060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0360 1.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0360 -0.3961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6060 -1.7990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8460 -1.7990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4160 -3.2020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 24 1 0 0 0 0 6 23 1 0 0 0 0 7 23 2 0 0 0 0 8 21 1 0 0 0 0 8 48 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 30 1 0 0 0 0 10 13 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 14 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 15 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 21 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 19 2 0 0 0 0 17 41 1 0 0 0 0 18 20 2 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 49 1 0 0 0 0 26 28 2 0 0 0 0 26 50 1 0 0 0 0 27 29 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 M CHG 2 3 1 6 -1 M END $$$$