D06TKI 01121100072D 1 1.00000 0.00000 0 38 41 0 0 0 999 V2000 1.6542 -4.9495 0.0000 F 0 0 0 0 0 0 0 0 0 2.3666 -4.9495 0.0000 F 0 0 0 0 0 0 0 0 0 2.0084 -4.3334 0.0000 C 0 0 3 0 0 0 0 0 0 2.6259 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 3.2435 -4.3334 0.0000 O 0 0 0 0 0 0 0 0 0 2.6259 -3.2667 0.0000 O 0 0 0 0 0 0 0 0 0 1.3949 -3.9792 0.0000 F 0 0 0 0 0 0 0 0 0 0.5068 -1.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0.5057 -1.8565 0.0000 C 0 0 0 0 0 0 0 0 0 1.1247 -2.2153 0.0000 C 0 0 0 0 0 0 0 0 0 1.1229 -0.7872 0.0000 C 0 0 0 0 0 0 0 0 0 1.7341 -1.1380 0.0000 C 0 0 0 0 0 0 0 0 0 1.7352 -1.8529 0.0000 C 0 0 0 0 0 0 0 0 0 2.3544 -2.2100 0.0000 N 0 0 0 0 0 0 0 0 0 2.9729 -1.8489 0.0000 C 0 0 0 0 0 0 0 0 0 2.9684 -1.1313 0.0000 C 0 0 0 0 0 0 0 0 0 2.3488 -0.7817 0.0000 C 0 0 0 0 0 0 0 0 0 3.5921 -2.2046 0.0000 C 0 0 0 0 0 0 0 0 0 4.2081 -1.8435 0.0000 N 0 0 0 0 0 0 0 0 0 -0.1107 -0.7874 0.0000 F 0 0 0 0 0 0 0 0 0 4.8239 -2.1936 0.0000 C 0 0 1 0 0 0 0 0 0 6.4344 -2.7478 0.0000 N 0 0 3 0 0 0 0 0 0 5.8515 -3.1523 0.0000 C 0 0 0 0 0 0 0 0 0 6.2286 -2.0687 0.0000 C 0 0 0 0 0 0 0 0 0 5.2851 -2.7277 0.0000 C 0 0 2 0 0 0 0 0 0 5.5156 -2.0574 0.0000 C 0 0 1 0 0 0 0 0 0 5.6541 -1.3567 0.0000 H 0 0 0 0 0 0 0 0 0 4.7983 -3.2487 0.0000 H 0 0 0 0 0 0 0 0 0 7.0483 -3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 7.0433 -3.8128 0.0000 N 0 0 0 0 0 0 0 0 0 7.6551 -4.1669 0.0000 C 0 0 0 0 0 0 0 0 0 8.2731 -3.8135 0.0000 C 0 0 0 0 0 0 0 0 0 8.2713 -3.0982 0.0000 C 0 0 0 0 0 0 0 0 0 7.6548 -2.7431 0.0000 N 0 0 0 0 0 0 0 0 0 8.8909 -4.1673 0.0000 C 0 0 0 0 0 0 0 0 0 8.8914 -4.8797 0.0000 O 0 0 0 0 0 0 0 0 0 9.5082 -3.8127 0.0000 N 0 0 0 0 0 0 0 0 0 10.1261 -4.1665 0.0000 O 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 4 6 2 0 0 0 3 7 1 0 0 0 3 2 1 0 0 0 1 3 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 12 1 0 0 0 21 19 1 6 0 0 22 24 1 0 0 0 24 26 1 0 0 0 26 25 1 0 0 0 21 26 1 0 0 0 25 21 1 0 0 0 25 23 1 0 0 0 26 27 1 6 0 0 25 28 1 6 0 0 23 22 1 0 0 0 15 18 1 0 0 0 8 9 2 0 0 0 18 19 1 0 0 0 9 10 1 0 0 0 10 13 2 0 0 0 12 11 2 0 0 0 11 8 1 0 0 0 12 13 1 0 0 0 8 20 1 0 0 0 13 14 1 0 0 0 29 30 2 0 0 0 30 31 1 0 0 0 31 32 2 0 0 0 32 33 1 0 0 0 33 34 2 0 0 0 34 29 1 0 0 0 32 35 1 0 0 0 35 36 2 0 0 0 35 37 1 0 0 0 37 38 1 0 0 0 29 22 1 0 0 0 M END $$$$