RDKit 3D 78 81 0 0 0 0 0 0 0 0999 V2000 2.8461 1.9045 1.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0956 1.7553 0.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3065 2.5900 -0.8398 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1464 0.6633 -0.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 -0.5387 -0.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0025 -0.6044 -0.9856 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6905 -1.6693 -1.5201 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2039 -1.2938 -2.7583 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3684 -1.9557 -3.0779 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7162 -1.6002 -4.5226 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6826 -2.0018 -5.3672 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5065 -1.4040 -2.2236 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6781 -2.1002 -2.4731 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0928 -1.4550 -0.7674 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0658 -2.2322 -0.1166 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8041 -2.1892 -0.6401 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4326 -2.2441 0.6936 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7845 -1.5674 -0.8292 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5647 -1.4437 -0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 -0.2661 0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3206 -0.1205 0.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3690 -1.0309 0.2840 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5994 -1.5614 1.5664 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2109 -2.8196 1.4451 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4455 -3.4583 2.7799 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0575 -4.7103 2.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4598 -2.7064 0.5948 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.5028 -3.2928 1.3008 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8150 -1.2564 0.3521 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2658 -0.6438 1.5157 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6658 -0.4677 -0.2242 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6834 -0.4997 -1.6279 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1643 0.8321 0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7477 2.0522 0.7971 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0319 3.1652 -0.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6388 4.2785 0.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8926 5.2567 1.2908 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4512 6.2777 2.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8143 6.3417 2.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4243 7.3703 2.9254 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5927 5.3751 1.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0154 4.3672 0.8478 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3029 1.3288 2.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8604 1.5047 1.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 2.9761 1.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0189 -2.5159 -1.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2948 -3.0597 -2.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8759 -0.5077 -4.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6407 -2.0981 -4.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7081 -2.9770 -5.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5998 -0.3323 -2.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2509 -2.2015 -1.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0968 -0.4557 -0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4180 -1.7602 0.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9995 -3.2465 -0.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0621 -1.7475 1.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0997 -2.5157 -1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1741 -2.3194 -0.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0795 -1.9290 -0.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4942 -3.4502 0.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4322 -3.7250 3.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0605 -2.8867 3.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7717 -5.0464 1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3314 -3.2714 -0.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6810 -2.8891 2.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6608 -1.2671 -0.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7191 -0.9040 2.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8083 0.5923 0.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2000 0.2540 -2.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 2.4464 1.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6643 1.8520 1.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7861 2.9384 -0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1815 3.6226 -0.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1854 5.2430 1.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 7.0267 2.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5452 7.1486 3.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6589 5.4674 1.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6167 3.6088 0.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 33 2 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 39 40 1 0 39 41 1 0 41 42 2 0 33 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 24 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 20 19 2 0 19 18 1 0 18 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 9 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 5 4 1 0 16 7 1 0 42 36 1 0 31 22 1 0 1 43 1 0 1 44 1 0 1 45 1 0 34 70 1 0 34 71 1 0 35 72 1 0 35 73 1 0 37 74 1 0 38 75 1 0 40 76 1 0 41 77 1 0 42 78 1 0 22 59 1 6 24 60 1 6 25 61 1 0 25 62 1 0 26 63 1 0 27 64 1 6 28 65 1 0 29 66 1 6 30 67 1 0 31 68 1 6 32 69 1 0 19 58 1 0 18 57 1 0 7 46 1 6 9 47 1 6 10 48 1 0 10 49 1 0 11 50 1 0 12 51 1 6 13 52 1 0 14 53 1 1 15 54 1 0 16 55 1 6 17 56 1 0 M END