BX0ER3 -OEChem-04022107472D 78 82 0 1 0 0 0 0 0999 V2000 7.1208 4.4349 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8104 -1.0014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5869 3.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 2.4134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1459 4.6574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0957 4.2123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4088 1.8048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4088 -0.4421 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 0.6813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4368 -2.7713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9231 -1.9043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.4134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2414 -5.4098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4339 1.5823 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0000 0.6813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4339 -0.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1906 1.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1906 0.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8104 2.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6313 -1.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6313 2.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0846 1.7160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8983 -2.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0846 -0.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8983 3.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 1.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0178 -3.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 1.5474 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9906 1.2022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9906 0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1097 -3.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8345 -3.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0184 -4.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3433 5.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4435 -2.8872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7432 -4.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8351 -5.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0473 -3.8054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8464 -2.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0540 -3.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8532 -2.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 -3.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6443 -4.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6387 2.1675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6701 1.2063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2951 2.7507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4238 2.8489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3257 1.9776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9677 -1.9379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2026 -1.1762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6900 0.1444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0774 2.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0774 -0.9733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3270 3.7008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5619 2.9391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 1.5474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5264 1.5142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5264 -0.1515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3976 -3.4015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4631 0.9913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 0.1444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 0.3713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 2.9503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4554 -4.7584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9478 5.2718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4813 6.0142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7389 5.5478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2496 -5.0147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7784 -5.6932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 2.4134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0921 -1.5158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8084 -4.4906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 -1.7036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8412 -3.1910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 25 1 0 0 0 0 1 35 1 0 0 0 0 2 16 2 0 0 0 0 3 21 2 0 0 0 0 4 26 2 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 7 21 1 0 0 0 0 8 16 1 0 0 0 0 8 18 1 0 0 0 0 8 20 1 0 0 0 0 15 9 1 1 0 0 0 9 26 1 0 0 0 0 9 53 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 36 1 0 0 0 0 11 23 2 0 0 0 0 28 12 1 6 0 0 0 12 39 1 0 0 0 0 12 65 1 0 0 0 0 13 45 3 0 0 0 0 14 15 1 0 0 0 0 14 19 1 6 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 24 2 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 23 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 25 1 0 0 0 0 22 29 1 0 0 0 0 22 54 1 0 0 0 0 23 27 1 0 0 0 0 24 30 1 0 0 0 0 24 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 28 1 0 0 0 0 27 31 1 0 0 0 0 27 32 2 0 0 0 0 28 33 1 0 0 0 0 28 58 1 0 0 0 0 29 30 2 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 31 34 2 0 0 0 0 32 37 1 0 0 0 0 32 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 34 38 1 0 0 0 0 34 66 1 0 0 0 0 35 67 1 0 0 0 0 35 68 1 0 0 0 0 35 69 1 0 0 0 0 36 40 1 0 0 0 0 36 41 2 0 0 0 0 37 38 2 0 0 0 0 37 70 1 0 0 0 0 38 71 1 0 0 0 0 39 72 1 0 0 0 0 39 73 1 0 0 0 0 39 74 1 0 0 0 0 40 42 2 0 0 0 0 40 45 1 0 0 0 0 41 43 1 0 0 0 0 41 75 1 0 0 0 0 42 44 1 0 0 0 0 42 76 1 0 0 0 0 43 44 2 0 0 0 0 43 77 1 0 0 0 0 44 78 1 0 0 0 0 M END $$$$