B5OHR7 -OEChem-04012112263D 60 64 0 0 0 0 0 0 0999 V2000 1.8372 -0.9970 -1.7062 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4228 -2.9573 -0.9661 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8036 -1.9709 0.5462 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6893 2.3263 -0.1000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6964 0.9078 0.0901 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9021 -0.6319 0.3526 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0730 -0.3622 -0.1551 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8382 2.6839 1.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7368 2.5785 -1.4465 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 2.8810 1.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2243 2.7821 -1.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4295 3.2192 -0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3401 1.9544 -0.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9512 0.6392 -0.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3797 2.9198 0.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3981 0.2892 -0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3586 1.2545 0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9696 2.5698 0.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9307 -0.3926 -0.6274 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7211 1.7625 0.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8423 0.9849 0.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4116 -0.3513 -0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9548 -1.5796 0.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1435 1.4196 0.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3495 -1.3907 -0.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6834 -0.9805 0.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0597 0.3595 0.3788 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1154 -2.4232 -0.7648 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8309 -1.6690 1.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0284 -3.4454 0.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1522 -3.3561 -0.7822 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8676 -2.6019 1.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7366 -1.9797 -0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1374 -4.4427 0.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9381 2.3866 2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0898 3.9494 1.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9796 3.8419 -1.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7675 2.2262 -2.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3054 3.1834 1.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0701 1.6153 1.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9593 1.5039 -1.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1331 3.0007 -2.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3108 4.3086 -0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5040 3.0083 -0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6647 3.9508 0.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6706 -0.7449 -0.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6639 3.3675 0.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6146 2.8148 0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8547 -0.0657 1.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4411 2.4282 0.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0549 -2.4039 -0.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1155 0.5901 0.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4795 -2.4135 -1.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7172 -1.0167 2.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2694 -4.0071 -1.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5450 -2.6605 2.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0304 -4.0025 -0.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3873 -4.7759 1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8563 -5.3348 -0.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1368 -3.6258 -1.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 33 1 0 0 0 0 2 60 1 0 0 0 0 3 33 2 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 5 20 1 0 0 0 0 6 19 1 0 0 0 0 6 23 1 0 0 0 0 6 49 1 0 0 0 0 7 22 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 15 18 2 0 0 0 0 15 45 1 0 0 0 0 16 17 2 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 18 47 1 0 0 0 0 20 21 2 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 23 28 2 0 0 0 0 23 29 1 0 0 0 0 24 27 2 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 33 1 0 0 0 0 27 52 1 0 0 0 0 28 31 1 0 0 0 0 28 53 1 0 0 0 0 29 32 2 0 0 0 0 29 54 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 30 34 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 M END $$$$