BRU7J5 -OEChem-04022102132D 50 52 0 1 0 0 0 0 0999 V2000 5.0474 1.7648 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.4104 3.4584 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.7735 5.1520 0.0000 P 0 3 0 0 0 0 0 0 0 0 0 0 4.6844 0.0713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7485 -2.7802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7523 -0.6046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7400 2.7164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9990 2.0722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0958 1.4575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0809 4.2004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6685 4.1288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1524 2.7880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4661 6.1036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7251 5.4594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8219 4.8446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.4489 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -5.0583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.2536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.4984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9405 -2.1910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 -0.8803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4026 -1.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9422 -1.1910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -3.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -4.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3548 0.8132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -2.9375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8425 -2.8032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 -0.4427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9425 -1.2727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9411 -2.1024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 -1.4734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3154 -2.5290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3182 -0.8578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -4.2536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7356 0.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9027 1.1034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.4436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4590 1.6566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -6.5636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -6.5636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0785 3.9383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8818 6.5636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1851 5.0437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3619 5.2603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 1 28 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 12 2 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 23 4 1 6 0 0 0 4 28 1 0 0 0 0 22 5 1 1 0 0 0 5 38 1 0 0 0 0 25 6 1 1 0 0 0 6 39 1 0 0 0 0 8 44 1 0 0 0 0 11 47 1 0 0 0 0 13 48 1 0 0 0 0 14 49 1 0 0 0 0 15 50 1 0 0 0 0 21 16 1 6 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 27 2 0 0 0 0 17 29 1 0 0 0 0 18 26 2 0 0 0 0 18 31 1 0 0 0 0 19 30 1 0 0 0 0 19 31 2 0 0 0 0 20 30 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 21 32 1 0 0 0 0 22 25 1 0 0 0 0 22 33 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 25 37 1 0 0 0 0 26 29 1 0 0 0 0 27 40 1 0 0 0 0 28 41 1 0 0 0 0 28 42 1 0 0 0 0 29 30 2 0 0 0 0 31 43 1 0 0 0 0 M CHG 1 3 1 M END $$$$