RDKit 3D 81 85 0 0 0 0 0 0 0 0999 V2000 5.0623 1.6850 1.5961 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1181 0.8729 0.7133 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8857 0.1535 -0.2498 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2428 -0.1002 1.5331 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0999 -1.2058 2.2186 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4699 -2.5541 1.8482 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0146 -2.2062 1.5282 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2493 -2.0275 2.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2976 -3.2461 0.6581 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0615 -2.7238 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0146 -1.3156 -0.5436 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7028 -1.5632 -1.9163 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8354 -0.3016 0.3327 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9132 1.0804 -0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4589 1.6693 -0.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3585 0.7159 -1.4827 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7045 1.3770 -2.0309 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5985 1.9063 -0.8831 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3377 2.5977 -2.9329 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4977 3.1402 -3.7748 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1770 2.0686 -4.6238 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2975 1.7239 -5.6990 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6112 0.8078 -3.8177 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0248 -0.2926 -4.8332 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8769 1.1310 -2.9977 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4076 0.2985 -2.9402 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6854 -0.9980 -2.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 -1.6248 -1.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5023 -0.6901 -0.7687 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2348 -0.5551 0.6011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2111 -0.9080 0.7045 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5107 2.2405 2.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6248 2.4021 0.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8063 1.0498 2.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4932 1.5742 0.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4156 0.7998 -0.7469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7137 0.4736 2.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0764 -1.0598 3.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1538 -1.1961 1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9773 -2.9609 0.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5758 -3.2880 2.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2449 -2.9693 3.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7012 -1.2705 3.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2049 -1.7376 2.7256 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9241 -3.5257 -0.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1394 -4.1720 1.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7377 -2.7166 1.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4774 -3.4677 -0.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8365 -0.6569 -2.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1629 -2.2855 -2.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7016 -1.9906 -1.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3108 -0.1380 1.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 1.7840 0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5345 1.0464 -1.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2809 2.5970 -1.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9461 1.9635 0.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7948 0.5252 -2.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0184 2.2119 -0.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1627 2.7987 -1.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3398 1.1796 -0.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9609 3.4241 -2.3181 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5172 2.3237 -3.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2371 3.6293 -3.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0981 3.9234 -4.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0575 2.5156 -5.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4902 1.3314 -5.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5457 -1.1232 -4.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1579 -0.7057 -5.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7110 0.1099 -5.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7247 1.3360 -3.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7673 2.0152 -2.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1699 0.2928 -2.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6438 0.0074 -3.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1618 -1.7437 -2.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3820 -0.8329 -1.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8324 -1.9443 -2.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6257 -2.5422 -1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2690 -0.2329 0.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7566 0.1534 1.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3096 -1.5105 1.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7242 -1.1641 -0.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 17 26 1 0 17 16 1 0 26 27 1 0 27 28 1 0 28 29 1 0 20 21 1 0 20 19 1 0 21 23 1 0 23 26 1 0 17 19 1 0 23 24 1 6 11 12 1 6 23 25 1 0 17 18 1 1 29 30 1 1 21 22 1 0 31 7 1 0 13 11 1 0 13 31 1 0 11 10 1 0 10 9 1 0 7 6 1 0 6 5 1 0 5 4 1 0 4 31 1 0 9 7 1 0 7 8 1 1 16 29 1 0 4 2 1 0 16 15 1 0 2 1 1 0 29 11 1 0 2 3 1 0 13 14 1 0 4 37 1 1 14 15 1 0 2 35 1 6 22 66 1 0 13 52 1 1 10 47 1 0 10 48 1 0 9 45 1 0 9 46 1 0 16 57 1 6 14 53 1 0 14 54 1 0 15 55 1 0 15 56 1 0 26 73 1 6 27 74 1 0 27 75 1 0 28 76 1 0 28 77 1 0 20 63 1 0 20 64 1 0 21 65 1 6 19 61 1 0 19 62 1 0 24 67 1 0 24 68 1 0 24 69 1 0 12 49 1 0 12 50 1 0 12 51 1 0 25 70 1 0 25 71 1 0 25 72 1 0 18 58 1 0 18 59 1 0 18 60 1 0 30 78 1 0 30 79 1 0 30 80 1 0 31 81 1 6 6 40 1 0 6 41 1 0 5 38 1 0 5 39 1 0 8 42 1 0 8 43 1 0 8 44 1 0 1 32 1 0 1 33 1 0 1 34 1 0 3 36 1 0 M END