RDKit 3D 80 83 0 0 0 0 0 0 0 0999 V2000 8.6577 2.1821 0.5262 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5078 2.7846 0.7556 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2325 2.0600 0.6411 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4222 0.6213 0.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1101 -0.1504 0.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2062 0.4548 -0.9172 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0552 0.3556 -2.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9697 -0.3143 -1.1858 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1153 -1.7612 -1.4844 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8528 -2.4433 -0.9194 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9257 -1.2643 -0.8677 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3192 -1.4177 -0.1077 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1194 -2.5450 -0.7682 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5104 -2.6137 -0.1854 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1985 -1.2998 -0.4810 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6207 -1.4345 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4017 -0.1718 0.0276 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1542 0.0208 -1.1504 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7998 -0.0445 -0.8411 S 0 0 0 0 0 6 0 0 0 0 0 0 -8.5014 -0.8178 -1.9232 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9997 -0.7273 0.4843 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4457 1.5040 -0.7113 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6457 1.0582 0.3730 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6035 1.3227 1.7410 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2903 2.7862 2.1305 S 0 0 0 0 0 6 0 0 0 0 0 0 -4.1958 3.6355 2.7591 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7990 3.5431 0.9531 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4827 2.5328 3.2824 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2137 1.0860 -0.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4725 -0.1870 0.2620 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5686 -0.4102 1.7492 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0852 -0.1014 -0.2470 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2671 1.0160 0.2995 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0616 1.0982 -0.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8261 -0.2134 -0.2472 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1028 -0.4254 1.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6208 2.6872 0.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 1.1315 0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 3.8269 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8137 2.0134 1.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4806 2.5923 0.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0413 0.1299 1.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9969 0.5462 -0.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7041 -0.1499 1.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3831 -1.1777 -0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0467 1.5335 -0.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5546 -0.6137 -2.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3183 0.4026 -3.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7069 1.2361 -2.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 0.1198 -2.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -2.2824 -1.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0771 -1.9819 -2.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0429 -2.9213 0.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4455 -3.1899 -1.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7039 -0.9590 -1.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2438 -1.6413 0.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1504 -2.3421 -1.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5996 -3.4865 -0.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4597 -2.7192 0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0236 -3.4690 -0.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1263 -1.0458 -1.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1276 -2.0937 -0.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6672 -2.0375 0.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1600 -0.3191 0.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3267 1.4997 -0.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1550 1.9340 -0.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0852 1.7911 3.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1515 1.2171 -1.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7653 1.9807 0.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4265 0.5617 2.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7955 -1.0861 2.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5403 -0.7964 2.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1495 0.0618 -1.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7764 1.9901 0.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1722 1.0266 1.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9354 1.3729 -1.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6626 1.8786 0.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1132 -0.5190 1.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6657 -1.3080 1.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5590 0.4627 1.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 7 6 1 0 6 5 1 0 5 4 1 0 4 3 1 0 3 2 1 0 2 1 2 3 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 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 22 1 0 19 20 2 0 19 21 2 0 17 23 1 0 23 29 1 0 29 30 1 0 30 31 1 1 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 1 23 24 1 0 24 25 1 0 25 28 1 0 25 26 2 0 25 27 2 0 35 8 1 0 35 11 1 0 32 12 1 0 30 15 1 0 7 47 1 0 7 48 1 0 7 49 1 0 6 46 1 1 5 44 1 0 5 45 1 0 4 42 1 0 4 43 1 0 3 40 1 0 3 41 1 0 2 39 1 0 1 37 1 0 1 38 1 0 8 50 1 6 9 51 1 0 9 52 1 0 10 53 1 0 10 54 1 0 11 55 1 6 12 56 1 1 13 57 1 0 13 58 1 0 14 59 1 0 14 60 1 0 15 61 1 6 16 62 1 0 16 63 1 0 17 64 1 1 22 65 1 0 23 66 1 6 29 68 1 0 29 69 1 0 31 70 1 0 31 71 1 0 31 72 1 0 32 73 1 6 33 74 1 0 33 75 1 0 34 76 1 0 34 77 1 0 36 78 1 0 36 79 1 0 36 80 1 0 28 67 1 0 M END