RDKit 3D 119123 0 0 0 0 0 0 0 0999 V2000 11.7339 2.4036 1.7716 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9233 1.5650 0.9870 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4002 0.3950 0.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6006 0.0873 0.6521 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5793 -0.5039 -0.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1409 -0.1071 -0.4823 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3961 -1.1047 -1.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0296 1.1451 -1.0559 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4603 -0.1347 0.8785 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0400 0.2634 0.7986 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7246 1.4552 0.8164 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0567 -0.6632 0.7058 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6772 -0.4099 0.6282 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9021 -0.9141 1.8026 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4739 -1.2902 1.5004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9071 -0.3677 0.4369 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0013 1.0739 0.8437 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4872 -0.7270 0.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0459 -0.5713 -0.9918 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.1515 -2.1759 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1633 0.1728 -1.9477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6574 -0.7070 -0.8353 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1247 -0.8115 -0.7041 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6394 -2.1885 -1.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7470 0.1536 -1.7235 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4944 -0.8266 -1.1900 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7752 -2.0791 -1.9492 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1836 0.2762 -1.9566 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6439 0.0005 -1.5902 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6342 -0.9075 -0.3773 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8431 -0.6884 0.4032 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0209 -1.5185 1.6618 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0739 -2.9738 1.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1525 -3.5749 0.6771 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3812 -3.2145 0.4343 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2387 -4.1374 -0.4435 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0758 -2.0530 0.9653 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2622 0.6835 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1805 1.0929 1.9377 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7544 1.6321 -0.1508 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1459 2.9395 0.1948 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.5823 3.1176 -0.2538 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.4256 2.1497 0.2499 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0044 4.5235 0.1138 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.8830 4.9815 -0.8405 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8038 5.4240 0.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8151 5.1796 -0.6350 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3043 3.9053 -0.6156 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9789 3.8511 -0.1931 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2796 -0.7310 0.1357 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0219 0.6569 0.6782 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6571 -1.7326 1.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2451 -1.2689 1.3643 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7751 2.0153 1.8735 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2504 2.5195 2.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8015 3.4182 1.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0057 -0.5137 -1.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6155 -1.5370 0.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9570 -0.5659 -2.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6270 -1.6190 -0.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1439 -1.8139 -1.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6838 1.3036 -1.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5815 -1.1822 1.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9970 0.4949 1.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6028 0.7015 0.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8583 -0.1555 2.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3524 -1.8087 2.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8511 -1.1888 2.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4084 -2.3237 1.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 1.1898 1.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0021 1.4949 1.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4989 1.7426 0.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6978 -0.9802 -2.9573 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2111 0.7567 -2.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7248 -0.1167 -2.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3396 1.2533 -1.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 -1.7401 -1.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2133 -2.1712 -2.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7288 -2.7959 -1.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1535 -2.6954 -0.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3601 1.1687 -1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7409 -0.2771 -2.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8258 0.2078 -1.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0043 -2.9725 -1.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6195 -1.9741 -2.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8892 -2.3116 -2.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8550 1.2809 -1.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0520 0.1379 -3.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1599 -0.4665 -2.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0683 0.9939 -1.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6779 -1.9532 -0.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6790 -1.0786 -0.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2792 -1.2124 2.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9740 -1.1807 2.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1084 -3.2413 0.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9381 -3.5081 2.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9094 -4.5856 0.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6778 -5.0626 -0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4844 -3.6295 -1.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1492 -4.3688 0.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1982 -2.1647 0.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7643 -1.0625 0.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0971 -2.0246 2.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0138 3.1222 1.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5771 3.0504 -1.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1430 1.9559 -0.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5273 4.4623 1.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7947 4.7846 -0.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1470 6.4695 0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4425 5.3722 1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3111 3.5175 -1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4271 4.4500 -0.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8487 0.6714 1.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1615 1.1466 0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8965 1.2865 0.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1119 -1.9274 1.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5314 -2.7419 0.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2944 -0.5847 2.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3007 -2.2029 1.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 6 8 1 6 6 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 1 16 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 6 23 25 1 0 19 26 1 0 26 27 1 6 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 2 3 35 36 1 0 35 37 1 0 31 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 30 50 1 0 50 51 1 1 50 52 1 0 52 53 1 0 23 13 1 0 50 26 1 0 22 16 1 0 48 41 1 0 53 18 1 0 1 54 1 0 1 55 1 0 1 56 1 0 5 57 1 0 5 58 1 0 7 59 1 0 7 60 1 0 7 61 1 0 8 62 1 0 9 63 1 0 9 64 1 0 13 65 1 6 14 66 1 0 14 67 1 0 15 68 1 0 15 69 1 0 17 70 1 0 17 71 1 0 17 72 1 0 20 73 1 0 20 74 1 0 21 75 1 0 21 76 1 0 22 77 1 6 24 78 1 0 24 79 1 0 24 80 1 0 25 81 1 0 25 82 1 0 25 83 1 0 27 84 1 0 27 85 1 0 27 86 1 0 28 87 1 0 28 88 1 0 29 89 1 0 29 90 1 0 30 91 1 6 31 92 1 6 32 93 1 0 32 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 36 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 37103 1 0 41104 1 1 42105 1 6 43106 1 0 44107 1 1 45108 1 0 46109 1 0 46110 1 0 48111 1 6 49112 1 0 51113 1 0 51114 1 0 51115 1 0 52116 1 0 52117 1 0 53118 1 0 53119 1 0 M END