RDKit 3D 54 57 0 0 0 0 0 0 0 0999 V2000 -4.3157 -1.1275 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6370 -0.6830 -0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1541 0.1561 -1.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3585 0.5543 -2.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0382 0.1048 -2.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5020 -0.7399 -1.3065 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0648 -1.2319 -1.4211 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0253 -0.6726 -0.4009 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3705 -0.6278 -1.0604 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0451 0.6481 -0.5794 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0865 1.5580 -0.1657 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3028 0.7517 -0.0039 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2162 2.5446 0.9329 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7104 3.7502 0.6956 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9095 4.4144 1.8901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 3.7301 3.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0819 2.1942 2.5948 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0785 0.1749 0.4094 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8168 0.9048 1.0629 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2201 -1.1818 0.2556 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3499 -1.7011 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3831 -2.8179 -1.1613 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1989 -1.9793 0.9656 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4963 -2.1794 0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2730 -0.9047 -0.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0436 -0.2744 0.9726 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2266 0.0537 2.0793 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9713 -1.5634 0.9227 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7197 -2.5781 0.9518 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1411 -1.1752 1.7956 O 0 0 0 0 0 1 0 0 0 0 0 0 -7.5446 0.6164 -1.0411 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.9509 1.3934 -1.9188 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2414 0.1991 -0.1056 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.9237 -1.7852 0.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2345 -1.0042 0.7143 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7469 1.2044 -2.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4269 0.4156 -3.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0788 -2.3296 -1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7362 -0.9754 -2.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3176 -0.5914 -2.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6107 1.0983 -1.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2976 2.1799 -1.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1002 1.1512 -0.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3359 5.4103 1.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5939 4.0422 4.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7543 -2.9640 1.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3919 -1.5276 1.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2478 -2.6893 -0.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1534 -2.8591 0.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0001 -1.1553 -0.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5988 -0.1664 -0.6283 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5426 0.6402 0.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -0.9600 1.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4430 0.5547 1.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 8 7 1 6 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 10 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 2 0 20 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 8 28 1 0 28 29 2 0 28 30 1 0 3 31 1 0 31 32 2 0 31 33 1 0 6 1 1 0 12 8 1 0 21 9 1 0 17 13 1 0 1 34 1 0 2 35 1 0 4 36 1 0 5 37 1 0 7 38 1 0 7 39 1 0 9 40 1 6 10 41 1 6 11 42 1 6 12 43 1 0 15 44 1 0 16 45 1 0 23 46 1 0 23 47 1 0 24 48 1 0 24 49 1 0 25 50 1 0 25 51 1 0 26 52 1 0 26 53 1 0 27 54 1 0 M CHG 3 30 -1 31 1 33 -1 M END