RDKit 3D 80 83 0 0 0 0 0 0 0 0999 V2000 13.0350 0.0022 0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7334 0.2948 -1.3050 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4118 0.3954 -1.7127 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3772 0.2173 -0.8249 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0400 0.3139 -1.2146 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9712 0.1237 -0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6881 0.1881 -0.5245 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7223 -0.0218 0.5364 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0527 -0.2626 1.7272 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3499 0.0317 0.2942 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4113 -0.1720 1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9952 -0.0893 0.8926 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1498 -0.2945 1.9680 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7248 1.2298 0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0802 0.9854 -0.9781 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5433 -0.2969 -0.9095 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5816 -0.2394 -0.1091 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7375 -0.7153 -0.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8327 -0.5664 0.3707 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0529 -1.0198 -0.0724 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1063 -0.4672 0.6824 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2347 -1.2337 0.6732 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5086 -0.9118 0.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5011 -1.9219 0.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8085 -1.7318 0.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2371 -0.4948 -0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6684 -0.2988 -0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9469 0.9869 -1.0157 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3388 0.5183 -0.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9905 0.3045 -0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1688 1.3837 -0.2184 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5331 2.6574 -0.6357 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6613 -0.3384 2.1506 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2977 -1.5489 2.6946 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5927 0.7231 2.2800 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5835 0.2747 3.1421 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9442 0.8310 0.8973 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7006 1.4231 1.1162 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6727 -1.0681 -0.2478 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2252 -2.2282 0.3544 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7663 0.5975 -2.5353 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8245 0.7775 -3.4333 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1340 0.6780 -3.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2003 0.8571 -3.9259 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5016 0.6815 0.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1232 0.0947 0.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6999 -1.0339 0.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5761 -0.0060 0.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2891 -0.0910 0.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3363 0.3919 -1.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6592 -1.1326 1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5990 0.6114 2.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5962 -0.8422 2.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6871 1.7487 -0.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1508 1.9197 0.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3939 -0.7113 -1.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0161 -0.0531 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7100 -1.7380 -1.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 -1.2260 1.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2791 0.5500 0.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1831 -2.8900 0.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5396 -2.5269 0.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3107 -0.5396 0.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9795 -0.9963 -1.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3457 1.5188 -0.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6666 1.4977 -0.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0849 2.6279 -1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1156 3.2383 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5858 3.2559 -0.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5588 0.0490 2.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4898 -2.3039 2.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0095 1.7017 2.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6196 -0.7035 3.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4977 1.5212 0.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6012 1.8243 2.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5186 -1.2287 -0.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5465 -2.3361 1.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7551 0.6856 -2.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6069 1.0013 -4.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9966 1.0627 -4.8798 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 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 1 12 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 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 26 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 21 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 16 39 1 0 39 40 1 0 5 41 2 0 41 42 1 0 42 43 2 0 43 44 1 0 43 3 1 0 39 12 1 0 37 19 1 0 30 23 1 0 1 45 1 0 1 46 1 0 1 47 1 0 4 48 1 0 6 49 1 0 7 50 1 0 11 51 1 0 11 52 1 0 13 53 1 0 14 54 1 0 14 55 1 0 16 56 1 6 18 57 1 0 18 58 1 0 19 59 1 1 21 60 1 6 24 61 1 0 25 62 1 0 27 63 1 0 27 64 1 0 28 65 1 0 29 66 1 0 32 67 1 0 32 68 1 0 32 69 1 0 33 70 1 1 34 71 1 0 35 72 1 1 36 73 1 0 37 74 1 6 38 75 1 0 39 76 1 6 40 77 1 0 41 78 1 0 42 79 1 0 44 80 1 0 M END