RDKit 3D 49 52 0 0 0 0 0 0 0 0999 V2000 -4.7300 -1.2610 -0.8508 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7000 -0.8565 -0.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9507 -0.5662 1.3203 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3489 -0.7024 -0.7329 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9471 0.7422 -0.9163 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6983 1.5344 0.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6266 2.5333 0.3072 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2826 3.4313 -0.6441 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4989 2.3408 -0.5906 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5027 1.9063 0.4086 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8364 1.5741 -0.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2127 0.1158 -0.0979 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7277 0.0827 -0.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9647 -0.5503 1.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8353 -1.4807 0.8657 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3925 -2.2699 1.6812 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4749 -1.2144 -0.5157 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9529 -2.4738 -1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5536 -2.4487 -0.9815 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1527 -3.2450 -1.6817 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3081 -1.5677 -0.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6351 -0.6838 -1.0533 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3783 2.9355 1.3656 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0083 2.9718 1.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6456 3.2887 2.6209 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7026 -1.3702 -0.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6596 -1.4989 -1.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8133 -1.1826 1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0687 -0.8066 1.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2777 0.4854 1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4373 -1.1093 -1.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8079 1.2102 -1.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1372 0.7111 -1.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5198 0.8385 1.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 2.0569 0.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5461 1.8008 -1.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1836 1.0019 1.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6389 2.1317 0.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8894 1.8982 -1.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1299 -0.8996 -0.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9436 0.3433 -1.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1461 0.8628 0.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7155 0.1321 2.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8442 -1.2054 1.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7086 -0.4787 -0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1587 -2.4704 -2.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3263 -3.3788 -0.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8907 -2.2626 0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7343 -0.9464 0.5898 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 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 6 12 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 17 22 1 0 10 23 1 0 23 24 1 0 24 25 2 0 21 4 1 0 9 7 1 0 22 12 1 0 24 7 1 0 3 28 1 0 3 29 1 0 3 30 1 0 1 26 1 0 1 27 1 0 4 31 1 6 5 32 1 0 5 33 1 0 6 34 1 0 6 35 1 0 9 36 1 6 10 37 1 1 11 38 1 0 11 39 1 0 13 40 1 0 13 41 1 0 13 42 1 0 14 43 1 0 14 44 1 0 17 45 1 1 18 46 1 0 18 47 1 0 21 48 1 0 21 49 1 0 M END