B5BR4T -OEChem-04022108352D 50 54 0 0 0 0 0 0 0999 V2000 4.3115 -0.3105 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3127 -2.5477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5658 0.3557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0572 -0.9768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3301 -1.8294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6452 -1.0563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1832 2.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0076 2.1945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0482 -0.7210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9579 -2.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6663 -0.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9777 0.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6832 1.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2916 -2.7518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3742 1.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6832 1.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9982 0.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6558 1.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9922 1.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3588 2.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3682 0.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3887 0.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7106 1.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7087 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6892 -1.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3887 -2.4192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3497 -2.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0492 -3.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0297 -2.9734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3415 -2.4932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -1.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8963 -0.2764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1392 -0.5256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0616 -3.3276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8187 -3.0784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6164 -1.1107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4537 -1.8910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1966 -0.3609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0499 1.5571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1740 2.7863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1832 3.1700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8018 -0.0272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4403 -0.8428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3165 1.5571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8875 -0.6878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7808 -2.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8508 -3.7574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4392 -3.4390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7396 -2.2950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 5 28 1 0 0 0 0 5 50 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 16 1 0 0 0 0 7 20 1 0 0 0 0 7 42 1 0 0 0 0 8 20 2 0 0 0 0 8 24 1 0 0 0 0 9 22 1 0 0 0 0 9 25 1 0 0 0 0 9 44 1 0 0 0 0 10 14 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 15 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 18 2 0 0 0 0 12 19 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 35 1 0 0 0 0 14 36 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 17 20 1 0 0 0 0 17 22 2 0 0 0 0 18 39 1 0 0 0 0 19 21 2 0 0 0 0 19 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 46 1 0 0 0 0 27 29 2 0 0 0 0 27 47 1 0 0 0 0 28 30 2 0 0 0 0 29 30 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 M END $$$$