RDKit 3D 84 86 0 0 0 0 0 0 0 0999 V2000 -1.0526 4.6741 1.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 3.2387 0.8555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5202 2.3035 1.9539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7756 3.0021 -0.4095 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5609 1.8035 -1.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3058 0.6008 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0183 0.1293 -0.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 -0.9961 0.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8055 -1.4510 0.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1843 -2.4770 0.8555 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7317 -0.7205 -0.4587 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1001 -1.0136 -0.5683 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8809 0.0015 -0.0192 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1675 -0.5164 0.1444 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9797 0.5126 0.9199 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2506 -0.0092 1.0744 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8442 -0.8136 -1.1714 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0033 -1.5485 -0.8896 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9641 -1.6878 -2.0193 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3853 -1.6188 -3.3603 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5296 -1.2543 -1.9904 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7607 -2.2393 -2.5951 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 -1.6751 0.9354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 -1.2619 0.9575 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7989 -2.0816 1.8289 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 -1.5134 3.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0328 -1.3269 3.8745 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8863 -0.7078 5.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3864 -1.6980 3.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 -0.1393 0.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5521 0.3096 0.2401 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5259 -0.0508 -0.6998 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8865 1.0004 -1.5741 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6987 0.4489 -2.5979 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6056 1.2729 -3.8447 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3926 0.7373 -4.8424 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0890 0.3530 -2.0213 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8485 -0.6300 -2.6561 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0150 0.1467 -0.5501 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.2197 1.3226 0.1609 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7864 -0.6112 -0.0791 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9070 -1.9707 -0.2950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0482 5.0945 1.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 4.6630 2.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6148 5.2164 0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3322 1.6219 1.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4434 1.7831 2.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2246 2.8891 2.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 3.9519 -1.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3437 1.9790 -1.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4549 1.7160 -1.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 0.6733 -0.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3003 -1.9342 0.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1096 -1.4687 0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4432 0.6377 1.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9489 1.4520 0.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7933 0.5733 1.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1348 0.0957 -1.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7695 -1.2024 -1.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0140 -2.7459 -1.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8038 -0.7517 -3.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4564 -0.2793 -2.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6075 -2.0655 -3.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7138 -2.5567 1.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4580 -3.1429 1.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7821 -2.0967 1.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9801 -1.1971 3.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8651 -0.7518 5.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0966 -1.2484 5.8221 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5926 0.3494 5.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0782 -0.8364 3.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3644 -2.2564 2.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8640 -2.3100 4.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1031 -0.8252 -1.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3254 -0.5716 -2.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9667 2.3113 -3.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5420 1.2584 -4.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9534 0.0168 -5.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5984 1.3299 -2.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1433 -0.2706 -3.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8885 -0.5163 -0.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9660 2.0732 -0.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7042 -0.4214 0.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6140 -2.0812 -1.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 23 2 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 3 27 28 1 0 27 29 1 0 24 30 2 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 34 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 14 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 30 6 1 0 41 32 1 0 21 12 1 0 1 43 1 0 1 44 1 0 1 45 1 0 3 46 1 0 3 47 1 0 3 48 1 0 4 49 1 0 5 50 1 0 5 51 1 0 7 52 1 0 23 64 1 0 25 65 1 0 25 66 1 0 26 67 1 0 28 68 1 0 28 69 1 0 28 70 1 0 29 71 1 0 29 72 1 0 29 73 1 0 32 74 1 6 34 75 1 6 35 76 1 0 35 77 1 0 36 78 1 0 37 79 1 1 38 80 1 0 39 81 1 1 40 82 1 0 41 83 1 1 42 84 1 0 12 53 1 1 14 54 1 1 15 55 1 0 15 56 1 0 16 57 1 0 17 58 1 6 18 59 1 0 19 60 1 1 20 61 1 0 21 62 1 6 22 63 1 0 M END