RDKit 3D 70 72 0 0 0 0 0 0 0 0999 V2000 -3.4448 -0.7204 1.5383 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3763 -0.6998 0.4040 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9537 0.0411 -0.8248 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1362 -0.6721 -1.4904 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8310 -2.1096 -1.9142 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1739 -2.9825 -0.8072 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0026 -2.1920 -0.0571 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6880 -2.2207 -0.9081 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3902 -1.4297 -0.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2101 -0.3801 0.5816 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3765 0.2032 1.0465 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4096 -0.4118 0.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0484 -1.6989 -0.5429 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 0.0095 0.7751 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8596 -0.6421 0.4583 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9425 -1.7705 -0.0219 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1312 0.1674 0.8121 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3812 -0.6306 0.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1950 0.4119 2.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1333 1.5062 0.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1285 0.0658 1.0699 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2301 1.6046 1.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 2.4407 -0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5919 1.9276 -1.1041 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8217 3.8303 0.1585 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 4.4953 1.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 4.6244 -1.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0629 5.9142 -0.7843 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5913 6.9747 -0.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2746 -3.4254 0.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6342 -4.3060 -1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6657 -5.0072 -2.1354 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9926 -2.0387 -3.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4851 0.2309 2.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4630 -0.8728 1.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2157 -1.4956 2.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2882 1.0467 -0.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1731 0.1645 -1.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0102 -0.6546 -0.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4191 -0.0890 -2.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7749 -2.5641 -2.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7714 -2.7526 0.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8559 -1.8309 -1.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -3.2533 -1.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7082 0.8618 1.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3680 -0.8621 -0.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4384 -1.5840 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2999 -0.0720 0.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1407 0.8871 2.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3860 1.0639 2.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1128 -0.5314 2.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0532 1.3455 -1.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0552 2.0658 0.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2938 2.1475 0.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1198 -0.2926 2.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2455 1.8855 1.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5552 1.9069 2.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9517 5.4220 1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4766 3.8784 2.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5075 4.7173 1.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 4.0648 -1.7665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5716 4.7861 -1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0641 7.9148 -0.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9649 -2.6272 0.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9134 -4.2114 -0.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8346 -3.8293 1.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 -4.9667 -0.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8464 -4.1282 -2.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2733 -5.8360 -2.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2167 -2.8151 -3.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 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 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 17 19 1 0 17 20 1 0 10 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 3 0 6 30 1 1 6 31 1 0 31 32 1 0 5 33 1 0 7 2 1 0 21 2 1 0 13 9 1 0 1 34 1 0 1 35 1 0 1 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 5 41 1 6 7 42 1 1 8 43 1 0 8 44 1 0 14 45 1 0 18 46 1 0 18 47 1 0 18 48 1 0 19 49 1 0 19 50 1 0 19 51 1 0 20 52 1 0 20 53 1 0 20 54 1 0 21 55 1 1 22 56 1 0 22 57 1 0 26 58 1 0 26 59 1 0 26 60 1 0 27 61 1 0 27 62 1 0 29 63 1 0 30 64 1 0 30 65 1 0 30 66 1 0 31 67 1 0 31 68 1 0 32 69 1 0 33 70 1 0 M END