BJ2XI3 -OEChem-04022111183D 54 56 0 1 0 0 0 0 0999 V2000 -4.3108 3.8431 1.4492 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0946 5.2861 -1.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5479 0.1150 0.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4745 -3.0572 -0.0928 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2466 -2.9962 -0.0474 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9591 -0.6798 0.0224 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2651 -0.3630 0.1189 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0023 1.6321 0.1426 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 0.6385 0.1300 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8084 -3.6051 -0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 -1.7367 -0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7486 -1.7203 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1357 -0.4737 0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3074 -3.7739 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1002 -4.4939 1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0537 -4.3653 -1.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2519 0.4689 0.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4256 2.9547 0.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5101 4.0305 0.2816 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9481 0.8941 0.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4372 0.6871 0.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4292 4.0288 -0.9361 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0935 0.2327 1.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 0.9494 -0.9838 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4749 0.0408 1.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5440 0.7575 -1.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2001 0.3032 0.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2273 0.4027 -1.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5091 -2.7617 -0.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2861 -4.8539 -0.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4632 -5.3852 1.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1432 -4.8279 1.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9295 -3.9481 2.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4150 -5.2517 -1.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8498 -3.7275 -2.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0958 -4.6965 -1.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7777 3.1373 -0.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8113 3.0221 1.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7953 -1.2272 0.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0343 5.0137 0.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0097 1.5229 0.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6742 1.4256 1.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6513 1.5419 -0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1941 3.2489 -0.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8566 3.9041 -1.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5387 0.0249 2.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6631 1.3017 -1.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7167 3.8653 2.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9806 -0.3135 2.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0453 0.9799 -1.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6670 5.2583 -1.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2902 0.1983 -0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1434 1.4615 -1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8972 -0.2574 -1.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 48 1 0 0 0 0 2 22 1 0 0 0 0 2 51 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 5 12 1 0 0 0 0 5 14 2 0 0 0 0 6 11 2 0 0 0 0 6 17 1 0 0 0 0 7 13 1 0 0 0 0 7 20 1 0 0 0 0 7 39 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 41 1 0 0 0 0 9 13 1 0 0 0 0 9 17 2 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 22 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 25 1 0 0 0 0 23 46 1 0 0 0 0 24 26 2 0 0 0 0 24 47 1 0 0 0 0 25 27 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 M END $$$$