RDKit 3D 108108 0 0 0 0 0 0 0 0999 V2000 4.7369 -0.8777 3.6026 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9537 -0.3432 2.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3068 -1.5372 1.7618 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3778 -2.5255 1.4418 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4641 -1.1437 0.5348 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7880 -2.2919 0.1841 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7306 -3.1643 -0.8164 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4431 -4.1789 -1.0275 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6805 -2.9758 -1.8963 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1141 -4.2897 -2.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9772 -4.2715 -3.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1816 -5.2166 -1.0808 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1521 -1.8410 -1.6911 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1116 -0.7622 -2.6884 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1409 -1.5820 -0.7221 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8802 -0.6903 0.1682 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4878 -2.1624 -0.5239 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8740 -2.4981 0.8667 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8823 -3.5056 1.4213 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0861 -1.3786 1.8194 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6225 -1.9917 3.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5031 -1.3516 -1.0778 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4856 -0.1626 -1.7232 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5007 0.0048 -2.9715 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4500 1.0892 -0.9227 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8833 1.6150 -0.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9148 2.8773 0.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8219 0.6220 -0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6863 2.1615 -1.5173 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8740 2.3176 -2.9814 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8442 3.0906 -0.9048 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1822 4.3382 -1.1083 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 2.9279 -0.0675 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0676 2.8002 1.3878 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 2.6194 2.3065 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 4.1677 1.7805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2634 1.9801 -0.4951 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5028 1.9516 -1.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7753 1.9781 -2.2650 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7440 1.8813 -0.1551 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3482 3.2264 0.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7786 3.9319 -1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3577 3.2412 1.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6411 0.8489 -0.6414 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8647 1.1463 -1.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3580 -0.5490 -0.4513 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9487 -1.3806 -1.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4724 -1.9362 3.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8330 -0.8705 3.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4609 -0.3134 4.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7406 0.0254 1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2745 0.4242 2.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5950 -2.0141 2.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4076 -2.0789 1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3788 -2.9364 0.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3684 -3.4030 2.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7166 -0.4266 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3648 -2.7344 -2.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 -4.8466 -2.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8893 -4.7695 -2.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2085 -3.2307 -3.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7529 -4.8622 -4.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2811 -5.4003 -1.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1539 -4.8824 -0.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2554 -6.2478 -1.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1856 -1.0986 -3.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2295 -0.6311 -2.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2843 0.2094 -2.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5962 -3.1339 -1.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8493 -3.0554 0.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8391 -3.2307 1.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 -3.6865 2.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 -4.4693 0.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1551 -0.8595 2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9114 -0.7207 1.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3443 -1.2986 3.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1630 -2.9113 2.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7940 -2.2785 3.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0793 0.9415 0.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2925 1.9019 -1.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 2.7666 0.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8842 2.9375 0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7906 3.8007 -0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8446 0.8300 -0.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8969 0.7304 0.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6061 -0.4330 -0.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1401 1.7334 -3.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6567 3.3917 -3.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9126 2.1709 -3.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1055 3.9657 -0.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8247 2.0672 1.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2676 2.8306 3.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4843 1.5869 2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8608 3.4047 2.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8594 4.9637 1.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8607 4.1683 2.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5046 4.4636 1.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4003 1.5381 0.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4881 3.8766 0.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1523 4.8511 -1.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6518 3.3138 -2.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8134 4.3783 -1.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9376 2.3088 1.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8681 3.3666 2.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0403 4.1411 1.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6237 1.1567 -2.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3687 2.0688 -1.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5732 0.3005 -1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 21 20 1 0 20 18 1 0 18 19 1 0 18 17 1 0 17 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 25 29 1 0 29 30 1 0 29 31 1 0 31 32 2 0 31 33 1 0 33 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 41 43 1 0 40 44 1 0 44 45 1 0 44 46 1 0 46 47 2 0 46 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 9 13 1 0 13 14 1 0 13 15 1 0 15 16 2 0 5 3 1 0 3 4 1 0 3 2 1 0 2 1 1 0 33 34 1 0 34 35 1 0 34 36 1 0 15 17 1 0 21 76 1 0 21 77 1 0 21 78 1 0 20 74 1 0 20 75 1 0 18 70 1 6 19 71 1 0 19 72 1 0 19 73 1 0 17 69 1 6 25 79 1 1 26 80 1 0 27 81 1 0 27 82 1 0 27 83 1 0 28 84 1 0 28 85 1 0 28 86 1 0 30 87 1 0 30 88 1 0 30 89 1 0 33 90 1 1 40 98 1 1 41 99 1 0 42100 1 0 42101 1 0 42102 1 0 43103 1 0 43104 1 0 43105 1 0 45106 1 0 45107 1 0 45108 1 0 5 57 1 1 9 58 1 6 10 59 1 0 11 60 1 0 11 61 1 0 11 62 1 0 12 63 1 0 12 64 1 0 12 65 1 0 14 66 1 0 14 67 1 0 14 68 1 0 3 53 1 1 4 54 1 0 4 55 1 0 4 56 1 0 2 51 1 0 2 52 1 0 1 48 1 0 1 49 1 0 1 50 1 0 34 91 1 0 35 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 36 97 1 0 M END