RDKit 3D 122128 0 0 0 0 0 0 0 0999 V2000 3.3665 2.3410 2.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3062 1.0714 1.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0937 0.3605 0.9488 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1982 -0.2416 -0.2090 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8446 -0.4661 0.2499 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7801 -0.8277 -0.7338 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1002 -1.8690 -1.6802 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 -1.9148 -2.7572 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8268 -3.1249 -3.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4714 -3.6816 -4.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2230 -4.9577 -4.8479 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2915 -5.7099 -4.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6573 -5.1620 -3.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9034 -3.8723 -2.6068 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4422 -3.0979 -1.5921 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5598 -3.4244 -0.5601 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8539 -2.2778 0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4659 -1.0067 -0.0589 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1726 0.1433 0.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4085 0.6433 -0.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6891 -0.0281 -0.3227 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9592 -1.2820 -1.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2061 -1.9324 -2.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 -1.4390 -2.5532 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6058 -3.1518 -2.5912 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9099 -3.8209 -3.6169 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0935 -1.9064 -0.5714 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7423 -1.1992 0.4329 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0807 0.1670 0.1292 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6039 0.6725 1.2869 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9060 1.1181 1.1996 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.9082 2.4666 1.4347 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4740 2.8288 2.6132 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.2313 4.3101 2.9383 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8742 4.5382 4.1589 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9497 2.5341 2.5974 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.6081 3.5217 1.8635 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2090 1.1514 2.0785 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.8055 1.1618 0.8117 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8934 0.4058 2.0503 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.5439 0.1320 3.3397 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9228 0.9214 -0.4814 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0873 1.0265 -1.9528 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0233 2.1285 -2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0846 -1.3486 -0.6075 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 -2.7359 -0.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0139 -3.3722 0.1348 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0146 -3.6022 -0.8144 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9583 -4.9915 -0.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2416 -0.8633 -1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2739 0.5567 -1.1702 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0968 1.2084 0.1511 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3407 1.1602 0.7401 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8035 2.4741 0.9143 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9476 2.6995 0.1488 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0997 2.1713 0.6794 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2193 2.5215 -0.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4513 2.0349 0.1217 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4573 2.7412 2.0307 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5351 3.6114 1.8657 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 3.4517 2.6565 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1673 4.7162 2.0756 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0038 2.7013 2.3720 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9173 1.5149 3.0944 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0350 2.9985 1.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7323 2.7803 2.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5804 0.4669 2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6658 -0.4945 1.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1939 0.5410 -1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5150 0.4920 0.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8440 -1.2012 1.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 0.1581 -1.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5689 -1.1322 -3.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2089 -3.1064 -4.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7433 -5.3688 -5.7203 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0941 -6.7129 -4.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0654 -5.7468 -2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0933 -4.2529 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4427 -3.9069 -1.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3782 -2.4764 1.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9342 -2.3168 0.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3609 0.1066 1.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3716 0.9970 0.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2753 1.0415 -1.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5904 1.6614 0.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7972 -0.3387 0.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2277 -4.8930 -3.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8164 -3.6873 -3.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2549 -3.4623 -4.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3591 -2.8276 -1.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8895 0.2128 -0.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2895 1.0057 0.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9253 2.3054 3.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5193 4.9809 2.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1481 4.4002 3.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7400 3.7194 4.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2740 2.5465 3.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2345 3.4933 0.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8556 0.5643 2.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4626 0.4014 0.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1448 -0.6090 1.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1853 0.3719 4.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6414 1.8376 0.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2787 0.0862 -2.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1378 2.2262 -3.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8319 3.0578 -2.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9437 -5.4436 -0.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2541 -5.3007 0.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5960 -5.4461 -1.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9789 -1.5175 -1.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6906 2.2058 -0.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0566 3.2276 0.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0899 1.0588 0.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9246 2.1753 -1.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2247 3.6444 -0.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8950 1.5078 -0.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7548 1.8924 2.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1166 4.5064 1.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4069 3.5332 3.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3514 5.4553 2.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1720 3.3490 2.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9539 1.3333 3.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 26 25 1 0 25 23 1 0 23 24 2 0 23 22 1 0 22 27 2 0 27 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 1 0 33 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 29 42 1 0 42 43 1 0 43 44 2 3 42 21 1 0 21 20 1 0 20 19 1 0 19 18 1 0 18 17 1 0 17 16 1 0 16 15 1 0 15 7 2 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 13 14 2 0 7 6 1 0 6 5 1 0 5 4 1 0 4 3 1 0 3 2 1 0 2 1 2 3 3 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 56 59 1 0 59 60 1 0 59 61 1 0 61 62 1 0 61 63 1 0 63 64 1 0 52 51 1 0 51 50 1 0 50 45 2 0 45 46 1 0 46 47 2 0 46 48 1 0 48 49 1 0 21 22 1 0 6 18 1 0 45 4 1 0 40 31 1 0 14 15 1 0 63 54 1 0 14 9 1 0 26 87 1 0 26 88 1 0 26 89 1 0 27 90 1 0 29 91 1 6 31 92 1 6 33 93 1 1 34 94 1 0 34 95 1 0 35 96 1 0 36 97 1 1 37 98 1 0 38 99 1 1 39100 1 0 40101 1 6 41102 1 0 42103 1 1 43104 1 0 44105 1 0 44106 1 0 21 86 1 1 20 84 1 0 20 85 1 0 19 82 1 0 19 83 1 0 17 80 1 0 17 81 1 0 16 78 1 0 16 79 1 0 8 73 1 0 10 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 6 72 1 6 5 70 1 0 5 71 1 0 4 69 1 6 3 68 1 1 2 67 1 0 1 65 1 0 1 66 1 0 52111 1 6 54112 1 6 56113 1 1 57114 1 0 57115 1 0 58116 1 0 59117 1 1 60118 1 0 61119 1 1 62120 1 0 63121 1 1 64122 1 0 50110 1 0 49107 1 0 49108 1 0 49109 1 0 M END