B3KBA0 -OEChem-04042104253D 48 50 0 0 0 0 0 0 0999 V2000 -6.5800 -0.4507 -1.0435 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6405 2.8793 0.3778 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7704 1.2543 1.8731 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3005 -0.9983 0.0953 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1545 0.6432 -1.8102 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7731 -1.1527 2.3413 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.8642 -2.7106 1.0899 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4841 0.7656 -0.0254 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2781 1.8420 -0.3161 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0400 -1.5057 1.3877 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3302 -0.6542 -0.3817 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8850 1.1223 0.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7276 -1.1781 -0.3388 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6201 -0.1576 0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4658 1.6983 0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0805 1.1795 -0.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1739 -2.4629 -0.5923 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9782 -0.3998 0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0654 2.2949 -0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5433 -2.7173 -0.4888 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4385 -1.6937 -0.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4493 0.8991 0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9876 0.0505 -0.5116 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0975 1.3516 0.6932 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3854 -0.5050 0.6173 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1162 -0.0808 1.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0516 1.4544 -0.8539 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3206 1.0303 -1.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2637 -1.7981 -2.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8974 -0.7280 -1.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6888 -1.1423 0.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9764 1.4838 1.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1871 1.9004 -0.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8476 0.3673 0.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0499 0.7750 -1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4843 -3.2544 -0.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6708 0.3892 0.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 2.7363 0.9289 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2654 3.0952 -0.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9218 -3.7174 -0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5003 -1.9125 -0.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5853 1.8295 -1.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6481 -0.5201 1.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7658 1.4777 -2.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5803 2.2398 -1.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7547 -2.5998 -1.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6512 -1.4371 -2.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2238 -2.1564 -2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 23 1 0 0 0 0 1 29 1 0 0 0 0 2 15 2 0 0 0 0 3 24 2 0 0 0 0 6 10 1 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 9 19 1 0 0 0 0 9 24 1 0 0 0 0 9 42 1 0 0 0 0 10 25 1 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 18 2 0 0 0 0 15 16 1 0 0 0 0 16 19 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 20 1 0 0 0 0 17 36 1 0 0 0 0 18 21 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 24 1 0 0 0 0 22 26 2 0 0 0 0 22 27 1 0 0 0 0 23 25 2 0 0 0 0 23 28 1 0 0 0 0 25 26 1 0 0 0 0 26 43 1 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 28 44 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 M CHG 2 6 -1 10 1 M END $$$$