RDKit 3D 72 75 0 0 0 0 0 0 0 0999 V2000 -3.1505 -3.2822 -4.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9264 -2.5909 -2.9075 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2272 -1.2333 -2.7552 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0322 -0.6027 -1.5226 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2868 0.7395 -1.4528 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0946 1.5397 -1.6624 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8623 0.8992 -1.3079 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2895 1.7219 -1.5545 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5697 0.9259 -1.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6368 0.5697 0.1416 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9733 0.6310 0.6594 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8077 -0.3639 0.0583 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5639 -1.7257 0.4727 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7273 -2.4443 -0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3137 -2.2426 -1.8883 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9456 -1.8818 1.8675 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2649 -3.1681 2.3956 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4765 -0.7584 2.7496 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1229 -0.8416 4.1372 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9458 0.5714 2.2081 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7404 1.6278 2.7912 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2213 3.0231 -0.7425 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3109 3.8894 -1.0792 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0879 3.7513 -1.0520 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1951 4.9170 -0.2179 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2849 2.8302 -0.8410 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4785 3.5364 -1.2256 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5972 -1.3296 -0.4071 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2644 -2.6724 -0.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4436 -3.3064 -1.8045 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6767 -3.4305 0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5498 -4.6458 0.4681 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2244 -2.6828 1.7491 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 -3.2794 2.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2084 -2.5797 3.7496 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1447 -3.0627 4.4650 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.2977 -1.2787 3.9496 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1973 -0.6768 3.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5818 0.6091 3.3511 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6298 -1.3681 1.9407 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4668 -0.7055 0.9272 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0263 0.3517 1.2091 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1709 -4.6029 -4.5771 Na 0 0 0 0 0 15 0 0 0 0 0 0 -2.4168 -4.0811 -4.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0431 -2.5818 -5.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1558 -3.7136 -4.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6001 -0.6565 -3.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0796 1.7764 -2.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3178 1.9565 -2.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4455 1.5078 -1.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5588 -0.0044 -1.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3951 1.6039 0.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5553 -2.1971 0.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7075 -2.0513 -0.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6735 -3.5204 -0.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7358 -1.3629 -1.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8598 -1.8068 1.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6311 -3.3119 3.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5737 -0.7668 2.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4701 -1.5789 4.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9246 0.7523 2.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7487 1.4078 3.7462 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2795 2.8193 0.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1358 4.7125 -0.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0765 4.1325 -2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1321 5.1911 -0.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3881 2.6072 0.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2066 2.9038 -1.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1895 -4.3613 -1.9074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0018 -4.3010 2.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -0.7011 4.8015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 0.8600 2.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 6 5 1 0 26 27 1 0 24 25 1 0 9 10 1 0 14 15 1 0 40 41 1 0 33 31 1 0 31 29 1 0 28 41 1 0 16 18 1 0 18 20 1 0 28 29 2 0 20 11 1 0 29 30 1 0 11 12 1 0 30 2 2 0 12 13 1 0 2 3 1 0 13 16 1 0 3 4 2 0 4 28 1 0 11 10 1 0 33 40 2 0 40 38 1 0 20 21 1 0 38 37 2 0 18 19 1 0 37 35 1 0 22 24 1 0 35 34 2 0 34 33 1 0 4 5 1 0 24 26 1 0 41 42 2 0 26 6 1 0 31 32 2 0 6 7 1 0 38 39 1 0 7 8 1 0 35 36 1 0 8 22 1 0 2 1 1 0 16 17 1 0 13 14 1 0 22 23 1 0 8 9 1 0 17 58 1 0 16 57 1 6 11 52 1 1 14 54 1 0 14 55 1 0 13 53 1 1 20 61 1 1 21 62 1 0 18 59 1 1 19 60 1 0 15 56 1 0 23 64 1 0 22 63 1 1 6 48 1 6 9 50 1 0 9 51 1 0 8 49 1 6 26 67 1 1 27 68 1 0 24 65 1 6 25 66 1 0 30 69 1 0 3 47 1 0 37 71 1 0 34 70 1 0 39 72 1 0 1 44 1 0 1 45 1 0 1 46 1 0 M CHG 2 36 -1 43 1 M END