BTE3R6 -OEChem-04022113413D 63 64 0 1 0 0 0 0 0999 V2000 -2.3248 -2.5278 -2.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6310 -1.4100 1.7899 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2006 1.0175 2.6204 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0304 2.5333 2.7572 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3423 -0.8652 -0.0678 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0767 3.8040 -0.1615 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3825 -1.4795 -1.7650 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 1.1568 3.0176 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9323 0.6764 -1.9081 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4155 -0.3746 -0.9019 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3101 1.8793 -1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0807 2.1522 -1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0284 -2.6277 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9871 -2.5548 1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2073 -1.8641 -0.8348 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7582 -3.2510 1.9021 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1996 3.3653 -0.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 2.9126 -0.6463 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 -1.7324 1.9226 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0043 -1.5761 -1.6324 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2481 -1.8235 -2.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4671 -2.6975 1.3657 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5480 -1.3432 1.2146 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2533 1.4816 -1.5156 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4376 3.9437 -0.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0019 -0.9927 3.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4986 2.0482 -1.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4628 -1.0980 -2.9222 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 3.2604 -0.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1279 0.4940 2.9164 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1948 -2.5070 -2.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7761 1.0106 -2.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2116 0.2285 -2.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1766 0.0619 -0.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0739 -3.6772 -0.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1092 -2.2077 -0.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8926 -3.0169 1.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9965 -1.5037 1.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1922 -0.8327 -0.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1397 -2.3114 -0.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7956 -3.1866 2.9945 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7953 -4.3225 1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4047 -0.8774 -0.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0543 3.0939 -0.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3018 4.6600 0.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2397 -2.8489 -2.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3395 -1.3357 -2.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1283 -3.1579 0.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2046 0.5346 -2.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5074 4.8870 0.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7986 -1.1705 3.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9323 -1.3127 3.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4063 1.5352 -1.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4855 -0.0578 -2.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3894 -1.5845 -2.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4376 -1.0993 -4.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5646 3.6819 -0.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8561 -0.6397 -1.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4863 -2.1642 -3.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0885 -2.6470 -1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6458 -3.4482 -2.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9846 0.7371 3.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9425 2.8772 3.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 23 2 0 0 0 0 3 30 2 0 0 0 0 4 8 1 0 0 0 0 4 63 1 0 0 0 0 5 10 1 0 0 0 0 5 23 1 0 0 0 0 5 43 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 6 45 1 0 0 0 0 7 20 1 0 0 0 0 7 31 1 0 0 0 0 7 58 1 0 0 0 0 8 30 1 0 0 0 0 8 62 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 20 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 18 2 0 0 0 0 12 17 1 0 0 0 0 12 24 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 21 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 22 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 25 2 0 0 0 0 18 44 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 19 26 1 0 0 0 0 21 28 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 24 27 1 0 0 0 0 24 49 1 0 0 0 0 25 29 1 0 0 0 0 25 50 1 0 0 0 0 26 30 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 29 2 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 M END $$$$