BME5K4 -OEChem-04022111003D 48 51 0 1 0 0 0 0 0999 V2000 -7.1479 -0.2117 -0.8759 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.5996 -0.6217 1.6604 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.8400 -2.4443 0.4752 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.5842 -1.2662 1.0319 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 1.5179 2.2201 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9835 2.5090 -1.1416 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4486 2.0165 1.5081 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6911 -0.5028 0.0247 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4439 0.4978 -0.1194 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9665 0.7488 0.0190 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8056 0.7573 -0.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9766 -0.4828 -0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5713 1.8694 0.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2068 1.4337 1.3506 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6656 -1.8054 -0.0673 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9190 0.7518 -1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5142 2.9079 0.6976 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8211 1.8149 -1.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6285 2.8842 -0.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3154 1.4131 -0.6973 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5784 -2.1123 0.9417 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3957 -2.7361 -1.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 1.0148 -0.7418 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2215 -3.3502 0.9476 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0387 -3.9740 -1.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7418 1.9913 -0.7542 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0929 -0.3359 -0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9516 -4.2809 -0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0850 1.6171 -0.7949 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4360 -0.7101 -0.8106 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4320 0.2664 -0.8231 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2902 -1.1774 0.6359 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2699 1.4038 -0.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5432 2.6730 2.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7943 -0.3547 0.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1118 -0.0855 -1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3721 3.7650 1.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6840 1.7979 -1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3393 3.7052 -0.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7945 -1.3992 1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6888 -2.5081 -1.8639 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9314 -3.5897 1.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8291 -4.6986 -1.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4917 3.0487 -0.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3486 -1.1261 -0.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4522 -5.2448 -0.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8474 2.3922 -0.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6830 -1.7682 -0.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 32 1 0 0 0 0 3 32 1 0 0 0 0 4 32 1 0 0 0 0 5 14 2 0 0 0 0 6 20 2 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 34 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 9 35 1 0 0 0 0 10 14 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 2 0 0 0 0 12 15 1 0 0 0 0 13 17 2 0 0 0 0 15 21 2 0 0 0 0 15 22 1 0 0 0 0 16 18 1 0 0 0 0 16 36 1 0 0 0 0 17 19 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 21 40 1 0 0 0 0 22 25 2 0 0 0 0 22 41 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 28 2 0 0 0 0 24 42 1 0 0 0 0 25 28 1 0 0 0 0 25 43 1 0 0 0 0 26 29 1 0 0 0 0 26 44 1 0 0 0 0 27 30 2 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 29 31 2 0 0 0 0 29 47 1 0 0 0 0 30 31 1 0 0 0 0 30 48 1 0 0 0 0 M END $$$$