RDKit 3D 86 90 0 0 0 0 0 0 0 0999 V2000 7.8084 3.9422 0.8284 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5826 2.7882 1.0822 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2677 1.5587 0.5481 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1434 1.4702 -0.2669 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7868 0.2644 -0.8243 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5857 0.1606 -1.6924 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2673 -0.9363 -2.1931 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8426 1.2705 -1.9312 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6989 1.3704 -2.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5425 0.5961 -2.1799 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7595 -0.7646 -2.1035 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2474 0.9162 -2.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3031 1.2778 -1.9552 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6832 0.6142 -0.7932 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0285 1.0339 0.3292 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5581 0.0274 1.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5950 -0.7268 0.2853 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6390 0.0694 -0.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 -0.6360 -0.5878 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7393 -0.5610 0.3583 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9614 0.0287 0.1696 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3704 0.6422 -0.9961 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6402 1.2211 -1.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9707 1.8135 -2.3033 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4737 1.1628 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1234 0.5705 1.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8751 0.0087 1.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0586 0.5500 2.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4713 0.5446 1.8276 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.8266 -0.6970 1.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6557 1.6818 0.9904 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8116 1.7604 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2000 2.3213 -1.1819 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4507 -2.0722 -0.9248 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7381 -2.1277 -2.1219 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 -2.8278 0.1602 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5430 -3.7977 0.7564 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2048 -1.8369 1.1571 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2478 -2.3831 1.9963 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1628 1.0340 -0.7517 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8694 0.3583 0.2069 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5536 -0.8382 -0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6724 -0.7414 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4088 -1.8979 0.4757 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0566 -3.1298 -0.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0420 0.4546 0.8139 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1608 0.5010 1.6148 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9320 0.2570 3.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3874 4.7946 1.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6229 4.0824 -0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8425 3.7944 1.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5355 2.3495 -0.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3979 2.4561 -2.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8830 0.9969 -3.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6896 -1.1407 -1.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8602 0.0448 -3.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4237 1.7397 -3.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6583 -0.4693 -0.9983 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9072 0.3468 2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -0.7165 1.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1578 -1.2069 -0.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0513 -0.1577 -1.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7236 0.6887 -1.8486 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3269 1.8335 -3.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5231 -0.4783 2.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8725 -0.4309 2.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8572 1.3796 3.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1548 0.6346 2.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7979 -1.5772 1.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8975 -0.6044 0.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2378 -0.8410 0.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4262 -2.5663 -1.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9896 -1.3634 -2.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8643 -3.3387 -0.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9227 -4.5119 1.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0606 -1.4388 1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3046 -2.0023 2.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1754 2.1235 -0.6871 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8839 0.9475 1.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2729 -1.7850 -1.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0070 -3.4249 0.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1748 -3.0636 -1.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6846 -3.9301 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6858 1.2129 3.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0689 -0.4183 3.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8017 -0.2563 3.4597 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 4 5 1 0 5 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 43 46 2 0 46 47 1 0 47 48 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 1 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 23 25 2 0 25 32 1 0 32 33 2 0 32 31 1 0 31 29 1 0 29 30 1 0 29 28 1 0 28 26 1 0 26 27 2 0 19 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 14 40 1 0 40 41 1 0 46 3 1 0 40 10 1 0 38 17 1 0 27 21 1 0 26 25 1 0 1 49 1 0 1 50 1 0 1 51 1 0 4 52 1 0 42 80 1 0 45 81 1 0 45 82 1 0 45 83 1 0 48 84 1 0 48 85 1 0 48 86 1 0 9 53 1 0 9 54 1 0 11 55 1 0 12 56 1 0 12 57 1 0 14 58 1 6 16 59 1 0 16 60 1 0 17 61 1 6 19 62 1 6 22 63 1 0 24 64 1 0 29 68 1 1 30 69 1 0 30 70 1 0 30 71 1 0 28 66 1 0 28 67 1 0 27 65 1 0 34 72 1 6 35 73 1 0 36 74 1 6 37 75 1 0 38 76 1 1 39 77 1 0 40 78 1 6 41 79 1 0 M END