RDKit 3D 98100 0 0 0 0 0 0 0 0999 V2000 12.6546 2.5144 0.8965 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1692 2.5533 0.6156 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7635 1.5476 -0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0630 0.1258 -0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3826 -0.3022 1.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8729 -0.2060 1.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3231 -1.0650 0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7964 -0.8538 0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2464 -1.7240 -1.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7529 -1.6374 -1.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3356 -0.2316 -1.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8337 -0.0712 -1.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1549 -0.4571 -0.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6636 -0.3192 -0.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1763 1.0651 -0.6326 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3193 1.0252 -0.6501 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9669 2.0788 -0.8992 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0131 -0.1403 -0.3991 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4470 -0.2237 -0.4047 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7596 -1.6708 -0.0807 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0976 -2.4756 -1.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1098 -2.1158 1.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9895 -2.0259 2.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1881 -1.1469 2.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0164 -1.4762 1.0208 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.9992 -2.5720 1.4969 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8696 -0.3235 0.7531 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4525 0.3130 1.8556 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2753 1.4097 1.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5422 1.9036 0.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4312 3.0797 0.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6351 2.7823 -0.5664 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6638 4.2652 -0.2952 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9601 1.2661 -0.6584 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1323 0.1613 -0.4741 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5608 -0.4543 -1.6527 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7509 -1.6739 -1.4887 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2366 -1.9888 -0.1374 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1517 2.8346 -0.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8794 3.2871 1.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0426 1.5278 1.1466 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5663 2.5240 1.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9737 3.5663 0.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6738 1.5957 -0.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2566 1.8054 -1.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1619 0.0280 0.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7730 -0.5836 -0.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6056 -1.3929 1.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7595 0.1930 2.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5447 0.8443 0.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3753 -0.5036 2.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6493 -0.7683 -0.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4652 -2.1511 0.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3724 -1.0680 1.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6486 0.2297 -0.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6012 -2.7820 -0.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7436 -1.3734 -1.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4448 -2.2981 -1.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3023 -2.0117 -0.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 0.4201 -0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8502 0.0730 -2.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5222 -0.7232 -2.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6342 0.9980 -1.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 0.2009 0.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3533 -1.5131 0.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2798 -0.9848 -1.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2026 -0.6878 0.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 1.7700 0.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5398 1.4680 -1.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9251 0.5046 0.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7253 0.0277 -1.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9365 -1.8713 -2.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0953 -2.8112 -0.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7385 -3.3197 -1.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2325 -1.4583 1.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7156 -3.1574 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4512 -1.7074 3.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3653 -3.0640 2.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8256 -1.3514 3.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9529 -0.0647 2.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3586 -2.3704 2.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8898 -2.5904 0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4821 -3.5219 1.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2978 -0.0078 2.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7144 1.8828 2.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7602 3.4023 1.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0730 1.8481 -0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3959 2.7441 -1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3716 3.5928 -0.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7209 3.9500 -0.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4419 5.0330 0.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2733 4.7560 -1.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1641 1.6450 -1.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9720 0.3556 -2.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4238 -0.6168 -2.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9315 -1.6296 -2.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3826 -2.5365 -1.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2431 -3.1231 -0.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 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 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 20 19 1 6 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 1 25 38 1 0 38 37 1 0 37 36 1 0 36 35 1 0 35 34 2 0 34 30 1 0 30 29 2 0 29 28 1 0 28 27 2 0 30 31 1 0 31 32 1 0 31 33 1 0 38 20 1 0 27 35 1 0 27 25 1 0 1 39 1 0 1 40 1 0 1 41 1 0 2 42 1 0 2 43 1 0 3 44 1 0 3 45 1 0 4 46 1 0 4 47 1 0 5 48 1 0 5 49 1 0 6 50 1 0 6 51 1 0 7 52 1 0 7 53 1 0 8 54 1 0 8 55 1 0 9 56 1 0 9 57 1 0 10 58 1 0 10 59 1 0 11 60 1 0 11 61 1 0 12 62 1 0 12 63 1 0 13 64 1 0 13 65 1 0 14 66 1 0 14 67 1 0 15 68 1 0 15 69 1 0 19 70 1 0 19 71 1 0 21 72 1 0 21 73 1 0 21 74 1 0 22 75 1 0 22 76 1 0 23 77 1 0 23 78 1 0 24 79 1 0 24 80 1 0 26 81 1 0 26 82 1 0 26 83 1 0 38 98 1 1 37 96 1 0 37 97 1 0 36 94 1 0 36 95 1 0 34 93 1 0 29 85 1 0 28 84 1 0 31 86 1 0 32 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 33 92 1 0 M END