RDKit 3D 81 85 0 0 0 0 0 0 0 0999 V2000 4.1667 1.9935 -1.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2761 1.9582 -0.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0105 3.1160 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7378 0.8716 0.7379 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9331 0.1832 1.4261 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1884 -1.0179 1.9906 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4831 -1.4956 0.7114 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5883 -2.2421 -0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4507 -2.4939 1.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3357 -2.4426 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6706 -1.1292 0.1873 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2711 -1.0606 1.6695 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6041 -0.0380 -0.1988 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0348 1.2126 0.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3371 1.4829 0.0029 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2349 2.7179 -0.6984 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9938 0.4524 -0.8582 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5024 0.6874 -0.8449 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7209 2.1929 -0.9295 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0980 0.1053 0.3946 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7726 -1.3229 0.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6456 -1.8977 -0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 -0.9627 -0.6859 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1584 -1.5752 -2.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5755 0.3378 0.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9022 1.4996 1.4543 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2992 -0.8489 1.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2551 0.4888 -0.8019 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4735 0.5939 -0.7666 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6062 0.5218 -2.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1546 0.1539 -2.1082 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5609 0.8786 -3.1696 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0510 -0.2473 0.0017 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6141 2.8571 -1.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6902 1.2963 -2.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7597 3.4971 -0.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4620 2.7846 1.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2453 3.9019 0.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1317 1.2285 1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6406 -0.0631 0.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3511 0.8324 2.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4848 -0.6464 2.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -1.7350 2.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5824 -2.0766 0.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4118 -3.3372 -0.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4697 -1.9071 -1.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0572 -2.4736 2.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8421 -3.5539 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8638 -2.5739 -0.9721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 -3.3279 0.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 -0.4154 1.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0883 -0.7165 2.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0299 -2.0927 2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 0.2512 -1.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7906 2.0063 0.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0938 1.1595 1.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9579 1.7633 0.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0808 3.3580 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7065 0.7530 -1.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8035 2.4355 -1.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2214 2.5402 -1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4640 2.7448 -0.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6390 0.6792 1.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7052 -1.9071 0.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7068 -1.5235 1.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1562 -2.6513 0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0179 -2.6214 -0.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 -1.1956 -2.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8707 -1.4048 -2.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3152 -2.6865 -2.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0174 1.4790 1.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5324 2.4608 1.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4772 1.2120 2.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6988 -1.5524 0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2438 -0.4808 1.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7152 -1.3207 1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1556 -0.2239 -2.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7930 1.4974 -2.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0771 -0.9162 -2.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3397 0.3044 -3.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5596 -0.3124 -0.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 2 1 2 3 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 6 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 1 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 1 18 31 1 0 31 32 1 0 31 30 1 0 30 28 1 0 28 29 2 0 28 25 1 0 25 26 1 0 25 27 1 0 25 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 6 13 33 1 0 33 4 1 0 33 7 1 0 23 11 1 0 23 17 1 0 20 18 1 0 3 36 1 0 3 37 1 0 3 38 1 0 1 34 1 0 1 35 1 0 4 39 1 1 5 40 1 0 5 41 1 0 6 42 1 0 6 43 1 0 8 44 1 0 8 45 1 0 8 46 1 0 9 47 1 0 9 48 1 0 10 49 1 0 10 50 1 0 12 51 1 0 12 52 1 0 12 53 1 0 13 54 1 6 14 55 1 0 14 56 1 0 15 57 1 1 16 58 1 0 17 59 1 6 19 60 1 0 19 61 1 0 19 62 1 0 31 79 1 6 32 80 1 0 30 77 1 0 30 78 1 0 26 71 1 0 26 72 1 0 26 73 1 0 27 74 1 0 27 75 1 0 27 76 1 0 20 63 1 1 21 64 1 0 21 65 1 0 22 66 1 0 22 67 1 0 24 68 1 0 24 69 1 0 24 70 1 0 33 81 1 6 M END