1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92
|
R-Z
RDKit 3D
9 8 0 0 0 0 0 0 0 0999 V2000
-1.0460 1.7452 -0.5977 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.0774 0.0997 0.0649 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0873 -0.5785 -0.5802 F 0 0 0 0 0 0 0 0 0 0 0 0
0.1949 -0.6320 -0.1847 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3786 -0.1174 0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4379 1.6532 0.7896 Br 0 0 0 0 0 0 0 0 0 0 0 0
-1.2310 0.1444 1.1592 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1672 -1.6444 -0.5962 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2630 -0.6703 -0.1233 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
2 4 1 0
4 5 2 0
5 6 1 0
2 7 1 0
4 8 1 0
5 9 1 0
M END
$$$$
R-E
RDKit 3D
9 8 0 0 0 0 0 0 0 0999 V2000
-1.3403 2.0030 0.6479 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.1117 0.3430 0.0763 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.2152 0.3456 -1.2984 F 0 0 0 0 0 0 0 0 0 0 0 0
0.2663 -0.0790 0.4553 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0963 -0.5602 -0.4485 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8485 -1.0949 0.0424 Br 0 0 0 0 0 0 0 0 0 0 0 0
-1.8792 -0.3310 0.5045 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5411 0.0303 1.4951 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7943 -0.6568 -1.4746 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
2 4 1 0
4 5 2 0
5 6 1 0
2 7 1 0
4 8 1 0
5 9 1 0
M END
$$$$
S-Z
RDKit 3D
9 8 0 0 0 0 0 0 0 0999 V2000
-0.6623 0.9792 1.7081 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-0.9573 0.5208 -0.0063 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.2762 0.2018 -0.1229 F 0 0 0 0 0 0 0 0 0 0 0 0
-0.0609 -0.6386 -0.3255 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2315 -0.5522 -0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9648 1.0488 0.5661 Br 0 0 0 0 0 0 0 0 0 0 0 0
-0.6396 1.3857 -0.6116 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4656 -1.5685 -0.7256 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8656 -1.3770 -0.3549 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
2 4 1 0
4 5 2 0
5 6 1 0
2 7 1 0
4 8 1 0
5 9 1 0
M END
$$$$
S-E
RDKit 3D
9 8 0 0 0 0 0 0 0 0999 V2000
-2.1828 -1.2531 -0.2708 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.1254 0.0177 0.3922 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.7108 1.2367 0.0708 F 0 0 0 0 0 0 0 0 0 0 0 0
0.2256 -0.1147 -0.2173 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3426 0.1827 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0061 -0.0244 -0.4723 Br 0 0 0 0 0 0 0 0 0 0 0 0
-1.1173 -0.1001 1.4915 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2431 -0.4898 -1.2544 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3189 0.5449 1.4027 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
2 4 1 0
4 5 2 0
5 6 1 0
2 7 1 0
4 8 1 0
5 9 1 0
M END
$$$$
|