B68JNU -OEChem-04022102002D 49 53 0 1 0 0 0 0 0999 V2000 6.2243 -2.8065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8622 -5.0974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4724 -0.5282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7468 2.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 5.1057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8743 -2.0282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7564 -3.5697 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7403 -2.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9643 -2.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8583 -4.0974 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9562 -3.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8743 -1.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7444 -3.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6063 -2.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0083 -1.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7403 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6063 -1.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9643 -0.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7564 0.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9562 0.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8583 1.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0084 1.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8751 2.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9396 2.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7584 3.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6301 4.1058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9349 -4.4007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7597 -1.9497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3526 -2.6364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3220 -4.4085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3462 -3.4658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7427 -4.1587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5970 -4.2790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3220 -3.9022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3183 -0.9912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4713 -1.2182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6983 -2.0651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 -0.8375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3264 -5.4095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2968 0.8171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 0.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 2.4411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9420 3.2957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5531 4.2009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1466 3.5152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8354 3.5208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2419 4.2064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1822 5.4095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 10 2 1 1 0 0 0 2 40 1 0 0 0 0 3 17 2 0 0 0 0 4 23 1 0 0 0 0 4 26 1 0 0 0 0 5 27 1 0 0 0 0 5 49 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 15 1 6 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 7 28 1 6 0 0 0 8 14 2 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 16 2 0 0 0 0 12 18 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 17 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 18 20 2 0 0 0 0 18 39 1 0 0 0 0 19 21 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 22 42 1 0 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 M END $$$$