B3J2FU -OEChem-04012118192D 46 49 0 0 0 0 0 0 0999 V2000 3.7817 -3.7122 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7017 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -2.6776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 0.8224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9710 1.1543 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -2.6776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5102 -0.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3039 0.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4992 1.8111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -0.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4777 2.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -1.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2050 -0.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6669 -1.8504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8314 2.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -2.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -1.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7884 2.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -0.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1420 3.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -2.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1205 3.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -2.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -2.1984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8905 -0.5818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4228 -1.1750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3328 -0.2652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3181 0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9196 0.2148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6190 -0.6655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6664 0.2100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7909 0.2574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0602 -1.9782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7948 -2.4570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2736 -1.7225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2247 2.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 -0.8676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3950 3.0957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -0.0230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7280 3.9674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -3.2976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3131 4.3015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 -0.8447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 27 1 0 0 0 0 3 23 2 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 8 2 0 0 0 0 5 13 1 0 0 0 0 6 18 1 0 0 0 0 6 23 1 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 17 2 0 0 0 0 12 14 1 0 0 0 0 12 19 2 0 0 0 0 13 20 2 0 0 0 0 14 18 2 0 0 0 0 14 21 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 22 1 0 0 0 0 17 39 1 0 0 0 0 18 25 1 0 0 0 0 19 23 1 0 0 0 0 19 40 1 0 0 0 0 20 24 1 0 0 0 0 20 41 1 0 0 0 0 21 26 2 0 0 0 0 21 42 1 0 0 0 0 22 24 2 0 0 0 0 22 43 1 0 0 0 0 24 45 1 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 M END $$$$