RDKit 3D 72 75 0 0 0 0 0 0 0 0999 V2000 3.4297 2.7055 -3.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7502 2.6005 -1.8956 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5055 1.8090 -1.0414 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7128 0.7090 -0.4002 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3744 -0.4432 -1.2961 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6465 -1.3601 -0.4959 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4185 -1.6401 -1.0378 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6220 -1.2634 -0.1688 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9291 -1.6764 -0.5047 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0459 -1.0988 0.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7883 -0.2437 1.1597 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3856 -1.4132 0.0121 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4829 -0.8238 0.7657 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.2498 -1.9512 1.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5236 -1.2962 2.5280 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.4012 0.5102 2.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0149 1.1924 1.4291 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.5928 2.6421 1.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5778 0.5934 0.1971 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4055 -0.1240 -0.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0856 -0.1943 -1.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1348 -2.5594 -1.4619 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0204 -3.1658 -2.2356 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8073 -2.4967 -3.4409 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2253 -3.1095 -1.3823 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0704 -3.8002 -0.1878 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5614 -1.2020 -1.7442 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8190 -2.5613 -1.3898 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4322 -0.6624 -2.4874 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5053 0.3448 0.6732 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1277 1.4509 1.1705 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5710 1.3250 1.2909 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2882 2.3974 1.6259 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6778 2.3490 1.7586 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3267 1.1530 1.5359 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5909 1.0385 1.6397 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5841 0.0852 1.1995 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2357 0.1778 1.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5816 -0.8334 0.7685 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8544 2.6043 0.2336 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7043 3.2414 0.6738 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4275 3.1600 -2.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8370 3.2714 -3.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5758 1.6981 -3.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4330 1.4328 -1.4669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7893 1.1804 0.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7706 -0.1851 -2.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2656 -1.0852 -1.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6534 -2.0948 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1000 -0.1202 1.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7574 -2.5562 0.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5649 -2.6521 1.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0283 0.8156 3.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3601 0.8575 2.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1108 1.1596 1.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5623 3.0614 0.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3134 3.2254 2.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5775 2.7064 1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2556 0.7097 -0.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1616 -2.8810 -1.7219 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2843 -4.2109 -2.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4685 -1.7821 -3.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1068 -3.5185 -1.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5481 -4.5502 -0.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7527 -3.2699 -2.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0656 -2.8827 -0.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7705 1.6727 2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7621 3.3438 1.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2485 3.2207 2.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0920 -0.8229 1.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6970 3.2669 0.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2705 2.8195 1.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 2 0 9 22 2 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 5 27 1 0 27 28 1 0 27 29 2 0 4 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 2 0 31 40 1 0 40 41 1 0 40 3 1 0 25 7 1 0 38 32 1 0 20 13 1 0 1 42 1 0 1 43 1 0 1 44 1 0 3 45 1 6 4 46 1 1 5 47 1 6 7 48 1 6 12 49 1 0 13 50 1 1 14 51 1 0 14 52 1 0 16 53 1 0 16 54 1 0 17 55 1 1 18 56 1 0 18 57 1 0 18 58 1 0 19 59 1 0 22 60 1 0 23 61 1 6 24 62 1 0 25 63 1 6 26 64 1 0 28 65 1 0 28 66 1 0 31 67 1 1 33 68 1 0 34 69 1 0 37 70 1 0 40 71 1 6 41 72 1 0 M END