B47CTI -OEChem-04022112143D 61 65 0 1 0 0 0 0 0999 V2000 3.0451 1.4878 1.1671 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1561 2.8708 -0.9620 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0333 1.6247 2.6153 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6425 2.5275 0.3437 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3564 -1.9320 1.1913 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8699 -1.3107 -0.9615 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4890 1.1407 0.6101 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4122 -0.8114 0.7616 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 -0.2565 -0.0051 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8381 -0.1154 1.0150 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5382 1.1417 -0.6356 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1309 -0.0025 2.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0993 -0.8789 2.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7828 1.8500 -0.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6673 1.9779 -0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5738 -1.3495 0.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8774 -0.0274 0.7899 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7848 3.3076 -0.7323 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1631 -0.4320 -0.5243 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2476 -0.8216 1.8756 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6981 4.4851 -0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8338 -1.6595 -0.7402 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5805 -2.5168 0.7338 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9072 -2.0285 1.6633 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7980 0.3546 -1.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1991 -2.4461 0.3644 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1196 -2.0640 -2.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4215 -1.4530 0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0899 -0.0629 -2.9278 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7494 -1.2699 -3.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2998 -1.7858 -0.9399 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3248 -0.1310 0.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0813 -0.7966 -1.5371 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1064 0.8582 -0.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9846 0.5253 -1.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0331 -0.9662 -0.7972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4767 -0.9999 0.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6794 1.0210 -1.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 1.0310 2.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7583 -0.3349 3.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8808 -1.9241 2.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9460 -0.5414 2.7868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5262 2.1229 1.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6237 1.4607 -0.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9697 3.3032 -1.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0357 -0.5374 2.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8007 5.4120 -0.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5228 4.5463 0.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1052 -2.9281 1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3492 -3.3378 0.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1942 -2.6473 2.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2693 1.2937 -1.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7150 -3.3934 0.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6341 -3.0038 -2.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7985 0.5521 -3.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9753 -1.5949 -4.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3844 -2.8125 -1.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6721 0.1578 1.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7655 -1.0557 -2.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0353 1.8867 0.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5939 1.2954 -1.5668 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 7 1 0 0 0 0 1 17 1 0 0 0 0 2 14 2 0 0 0 0 5 16 1 0 0 0 0 5 23 1 0 0 0 0 6 16 2 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 36 1 0 0 0 0 10 12 1 0 0 0 0 10 37 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 15 18 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 17 19 1 0 0 0 0 17 20 2 0 0 0 0 18 21 2 0 0 0 0 18 45 1 0 0 0 0 19 22 1 0 0 0 0 19 25 2 0 0 0 0 20 24 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 26 1 0 0 0 0 22 27 2 0 0 0 0 23 28 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 26 2 0 0 0 0 24 51 1 0 0 0 0 25 29 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 27 30 1 0 0 0 0 27 54 1 0 0 0 0 28 31 2 0 0 0 0 28 32 1 0 0 0 0 29 30 2 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 31 33 1 0 0 0 0 31 57 1 0 0 0 0 32 34 2 0 0 0 0 32 58 1 0 0 0 0 33 35 2 0 0 0 0 33 59 1 0 0 0 0 34 35 1 0 0 0 0 34 60 1 0 0 0 0 35 61 1 0 0 0 0 M END $$$$