HMDB0252325 RDKit 3D Flubendiamide 60 61 0 0 0 0 0 0 0 0999 V2000 2.9799 -1.8505 -1.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1332 -0.5782 -0.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1784 -0.4692 0.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3741 0.6871 1.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4962 0.8288 2.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0118 1.0158 3.6226 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3329 -0.4258 2.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6382 -1.5380 2.7962 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0374 -0.6305 1.2044 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3300 -0.2281 3.3515 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4236 1.9792 1.9678 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4640 2.0609 2.8810 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8066 1.9033 0.6711 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6948 3.1609 2.1612 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5014 1.7438 1.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4687 1.6072 0.2171 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2443 0.4758 -0.5208 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1947 0.2875 -1.4456 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3858 1.2508 -2.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 2.4887 -1.7195 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6946 1.0560 -2.9552 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5259 1.5370 -4.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4762 1.3672 -5.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6247 0.7084 -4.9169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8036 0.2262 -3.6122 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6155 -0.7478 -3.2376 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.8691 0.3852 -2.6301 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1027 -0.0862 -1.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1307 0.1493 -0.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1539 -0.6672 -0.9873 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7127 -1.2444 0.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6411 -1.2926 1.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1295 -2.6620 -0.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8405 -0.3643 0.6824 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6816 -0.8644 2.1170 S 0 0 0 0 0 6 0 0 0 0 0 0 -4.7090 -0.9802 3.5699 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4622 -2.1388 1.9164 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7546 0.1924 2.3803 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8217 -1.7153 -2.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0855 -2.3598 -0.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8340 -2.5481 -0.7957 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8474 -1.3270 0.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5832 2.6785 1.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8146 2.4639 0.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0103 -0.7263 -1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3941 2.0570 -4.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3143 1.7557 -6.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3888 0.5634 -5.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9638 0.9967 0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8925 -2.0113 2.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4117 -0.2591 1.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6586 -1.6965 0.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5077 -3.0181 -0.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9046 -3.3660 0.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1801 -2.7099 -0.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3713 0.6437 0.9063 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5683 -0.1443 -0.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2787 -0.4982 4.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7812 -0.3986 3.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5236 -2.0092 3.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 5 11 1 0 11 12 1 0 11 13 1 0 11 14 1 0 4 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 25 27 2 0 27 28 1 0 28 29 1 0 28 30 2 3 30 31 1 0 31 32 1 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 1 0 35 37 2 0 35 38 2 0 17 2 1 0 27 21 1 0 1 39 1 0 1 40 1 0 1 41 1 0 3 42 1 0 15 43 1 0 16 44 1 0 18 45 1 0 22 46 1 0 23 47 1 0 24 48 1 0 29 49 1 0 32 50 1 0 32 51 1 0 32 52 1 0 33 53 1 0 33 54 1 0 33 55 1 0 34 56 1 0 34 57 1 0 36 58 1 0 36 59 1 0 36 60 1 0 M END