9KU Converted by convert_cif2sdf.py 2024/03/29 11:09:15 49 52 0 0 0 0 0 0 0 0999 V2000 5.5181 1.4889 0.3677 C 0 0 0 0 0 -2.8442 -2.0770 -0.7410 C 0 0 0 0 0 -4.1163 -2.3701 -1.2242 C 0 0 0 0 0 -5.1857 -1.5886 -0.9075 C 0 0 0 0 0 -5.0080 -0.4659 -0.0797 C 0 0 0 0 0 -3.7146 -0.1641 0.4153 C 0 0 0 0 0 -3.5366 0.9563 1.2414 C 0 0 0 0 0 -4.6069 1.7374 1.5561 C 0 0 0 0 0 -5.8787 1.4411 1.0713 C 0 0 0 0 0 -6.0881 0.3631 0.2679 C 0 0 0 0 0 2.2066 -3.0593 -0.3290 C 0 0 0 0 0 4.5688 2.2997 -0.4067 C 0 0 0 0 0 3.4701 -3.7864 0.1947 C 0 0 0 0 0 4.4080 -2.5922 0.5134 C 0 0 0 0 0 3.3104 1.7685 -0.6422 C 0 0 0 0 0 2.3103 2.5367 -1.4157 C 0 0 0 0 0 3.8559 -0.1573 0.5241 C 0 0 0 0 0 3.4307 -1.5132 1.0260 C 0 0 0 0 0 0.9661 -1.1557 0.7392 C 0 0 0 0 0 -0.3359 -1.6128 0.1339 C 0 0 0 0 0 -2.6311 -0.9959 0.0660 C 0 0 0 0 0 3.0054 0.5499 -0.1602 N 0 0 0 0 0 2.0984 -1.8457 0.5009 N 0 0 0 0 0 5.1081 0.2781 0.8037 N 0 0 0 0 0 6.6432 1.8949 0.6053 O 0 0 0 0 0 4.9124 3.5254 -0.8757 O 0 0 0 0 0 1.0882 2.0151 -1.6405 O 0 0 0 0 0 2.5902 3.6362 -1.8484 O 0 0 0 0 0 -1.3837 -0.7241 0.5299 O 0 0 0 0 0 0.9947 -0.1672 1.4413 O 0 0 0 0 0 -2.0151 -2.7168 -1.0050 H 0 0 0 0 0 -4.2588 -3.2303 -1.8612 H 0 0 0 0 0 -6.1660 -1.8289 -1.2910 H 0 0 0 0 0 -2.5565 1.1976 1.6247 H 0 0 0 0 0 -4.4678 2.6001 2.1918 H 0 0 0 0 0 -6.7112 2.0766 1.3369 H 0 0 0 0 0 -7.0793 0.1455 -0.1014 H 0 0 0 0 0 2.3313 -2.7906 -1.3784 H 0 0 0 0 0 1.3248 -3.6871 -0.2001 H 0 0 0 0 0 3.2470 -4.3584 1.0954 H 0 0 0 0 0 3.9002 -4.4260 -0.5761 H 0 0 0 0 0 5.1262 -2.8617 1.2880 H 0 0 0 0 0 4.9191 -2.2531 -0.3876 H 0 0 0 0 0 3.4141 -1.5160 2.1160 H 0 0 0 0 0 -0.2512 -1.6123 -0.9532 H 0 0 0 0 0 -0.5646 -2.6199 0.4803 H 0 0 0 0 0 5.7116 -0.2814 1.3179 H 0 0 0 0 0 5.8137 3.7935 -0.6520 H 0 0 0 0 0 0.4685 2.5533 -2.1518 H 0 0 0 0 0 13 11 1 0 0 0 13 14 1 0 0 0 25 1 2 0 0 0 11 23 1 0 0 0 14 18 1 0 0 0 1 24 1 0 0 0 1 12 1 0 0 0 24 17 1 0 0 0 26 12 1 0 0 0 12 15 2 0 0 0 17 18 1 0 0 0 17 22 2 0 0 0 23 18 1 0 0 0 23 19 1 0 0 0 20 19 1 0 0 0 20 29 1 0 0 0 15 22 1 0 0 0 15 16 1 0 0 0 19 30 2 0 0 0 28 16 2 0 0 0 16 27 1 0 0 0 29 21 1 0 0 0 2 21 2 0 0 0 2 3 1 0 0 0 21 6 1 0 0 0 3 4 2 0 0 0 6 7 2 0 0 0 6 5 1 0 0 0 7 8 1 0 0 0 4 5 1 0 0 0 5 10 2 0 0 0 8 9 2 0 0 0 10 9 1 0 0 0 2 31 1 0 0 0 3 32 1 0 0 0 4 33 1 0 0 0 7 34 1 0 0 0 8 35 1 0 0 0 9 36 1 0 0 0 10 37 1 0 0 0 11 38 1 0 0 0 11 39 1 0 0 0 13 40 1 0 0 0 13 41 1 0 0 0 14 42 1 0 0 0 14 43 1 0 0 0 18 44 1 0 0 0 20 45 1 0 0 0 20 46 1 0 0 0 24 47 1 0 0 0 26 48 1 0 0 0 27 49 1 0 0 0 M END $$$$