BV2UR3 -OEChem-04022102172D 49 52 0 1 0 0 0 0 0999 V2000 2.0000 2.7655 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.8893 0.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9067 2.6596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 2.6315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8712 -1.1828 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 1.3995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 1.7655 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1781 -0.8694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 0.3995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6279 0.8995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2157 0.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0052 -1.6828 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9758 -0.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 0.8995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6144 -1.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2157 1.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2131 -2.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2076 -2.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 1.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 2.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 0.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -1.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7192 0.6810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3464 1.4519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6788 -0.2195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4679 -0.4759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9728 -1.0637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0453 0.6874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7356 0.2889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1513 -2.1620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9788 -1.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6683 1.7639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5965 -2.7258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2131 -3.2810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0787 -3.3720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7973 -2.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0817 2.8795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2933 3.1371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2933 0.3939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0817 0.6515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.3855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.9555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 13 2 0 0 0 0 3 16 2 0 0 0 0 4 19 2 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 16 1 0 0 0 0 6 38 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 24 3 0 0 0 0 9 11 1 0 0 0 0 9 13 1 6 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 1 0 0 0 10 16 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 17 1 0 0 0 0 12 24 1 1 0 0 0 12 33 1 0 0 0 0 14 19 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 18 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 20 22 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 23 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 25 27 2 0 0 0 0 25 47 1 0 0 0 0 26 28 2 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 28 49 1 0 0 0 0 M END $$$$