DDR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | C29 | sing | 1.53Å | 1.51Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.51Å | |
| C10 | C9 | sing | 1.53Å | 1.50Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C1 | O1 | doub | 1.21Å | 1.22Å | |
| C1 | O51 | sing | 1.34Å | 1.44Å | |
| O21 | C21 | doub | 1.21Å | 1.25Å | |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| O51 | C51 | sing | 1.45Å | 1.43Å | |
| C21 | O52 | sing | 1.34Å | 1.46Å | |
| O52 | C52 | sing | 1.45Å | 1.43Å | |
| C51 | C52 | sing | 1.53Å | 1.52Å | |
| C52 | C53 | sing | 1.53Å | 1.53Å | |
| C53 | O53 | sing | 1.43Å | 1.44Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C52 | H52 | sing | 1.09Å | 1.10Å | |
| C53 | H531 | sing | 1.09Å | 1.10Å | |
| C53 | H532 | sing | 1.09Å | 1.10Å | |
| O53 | HO53 | sing | 0.97Å | 0.95Å | |
| C51 | H511 | sing | 1.09Å | 1.10Å | |
| C51 | H512 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52A | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C29 | C28 | 111.5° | 109.5° |
| C30 | C29 | H291 | 108.8° | 109.5° |
| C30 | C29 | H292 | 108.4° | 109.5° |
| C29 | C30 | H301 | 109.5° | 109.5° |
| C29 | C30 | H302 | 109.5° | 109.4° |
| C29 | C30 | H303 | 109.4° | 109.5° |
| C29 | C28 | C27 | 108.6° | 109.5° |
| C29 | C28 | H281 | 109.7° | 109.5° |
| C29 | C28 | H282 | 110.0° | 109.5° |
| C28 | C29 | H291 | 108.8° | 109.5° |
| C28 | C29 | H292 | 108.3° | 109.5° |
| C9 | C8 | C7 | 108.5° | 109.5° |
| C8 | C9 | C10 | 110.4° | 109.5° |
| C9 | C8 | H81 | 109.8° | 109.5° |
| C9 | C8 | H82 | 110.0° | 109.5° |
| C8 | C9 | H91 | 109.2° | 109.4° |
| C8 | C9 | H92 | 109.0° | 109.5° |
| C8 | C7 | C6 | 111.6° | 109.5° |
| C8 | C7 | H71 | 108.8° | 109.5° |
| C8 | C7 | H72 | 108.3° | 109.5° |
| C7 | C8 | H81 | 109.8° | 109.5° |
| C7 | C8 | H82 | 110.0° | 109.5° |
| C10 | C9 | H91 | 109.2° | 109.5° |
| C10 | C9 | H92 | 109.0° | 109.5° |
| C9 | C10 | H101 | 109.5° | 109.5° |
| C9 | C10 | H102 | 109.5° | 109.5° |
| C9 | C10 | H103 | 109.4° | 109.5° |
| C28 | C27 | C26 | 111.1° | 109.5° |
| C28 | C27 | H271 | 109.0° | 109.5° |
| C28 | C27 | H272 | 108.6° | 109.5° |
| C27 | C28 | H281 | 109.8° | 109.4° |
| C27 | C28 | H282 | 109.9° | 109.5° |
| C7 | C6 | C5 | 111.8° | 109.5° |
| C7 | C6 | H61 | 108.7° | 109.5° |
| C7 | C6 | H62 | 108.2° | 109.4° |
| C6 | C7 | H71 | 108.7° | 109.5° |
| C6 | C7 | H72 | 108.3° | 109.5° |
| C6 | C5 | C4 | 109.7° | 109.5° |
| C6 | C5 | H51 | 109.4° | 109.4° |
| C6 | C5 | H52A | 109.3° | 109.5° |
| C5 | C6 | H61 | 108.7° | 109.5° |
| C5 | C6 | H62 | 108.2° | 109.5° |
| C27 | C26 | C25 | 110.4° | 109.5° |
| C27 | C26 | H261 | 109.1° | 109.4° |
| C27 | C26 | H262 | 108.9° | 109.5° |
| C26 | C27 | H271 | 108.9° | 109.4° |
| C26 | C27 | H272 | 108.6° | 109.5° |
| C5 | C4 | C3 | 108.8° | 109.5° |
| C5 | C4 | H41 | 109.7° | 109.4° |
| C5 | C4 | H42 | 109.8° | 109.4° |
| C4 | C5 | H51 | 109.4° | 109.5° |
| C4 | C5 | H52A | 109.3° | 109.5° |
| C26 | C25 | C24 | 110.7° | 109.5° |
| C26 | C25 | H251 | 109.1° | 109.4° |
| C26 | C25 | H252 | 108.8° | 109.5° |
| C25 | C26 | H261 | 109.2° | 109.5° |
| C25 | C26 | H262 | 109.0° | 109.5° |
| C4 | C3 | C2 | 110.2° | 109.5° |
| C4 | C3 | H31 | 109.2° | 109.5° |
| C4 | C3 | H32 | 109.1° | 109.5° |
| C3 | C4 | H41 | 109.7° | 109.5° |
| C3 | C4 | H42 | 109.9° | 109.5° |
| C25 | C24 | C23 | 112.1° | 109.5° |
| C25 | C24 | H241 | 108.6° | 109.5° |
| C25 | C24 | H242 | 108.0° | 109.5° |
| C24 | C25 | H251 | 109.1° | 109.5° |
| C24 | C25 | H252 | 108.8° | 109.5° |
| C3 | C2 | C1 | 109.3° | 109.5° |
| C3 | C2 | H21 | 109.5° | 109.5° |
| C3 | C2 | H22 | 109.5° | 109.5° |
| C2 | C3 | H31 | 109.2° | 109.4° |
| C2 | C3 | H32 | 109.1° | 109.5° |
| C2 | C1 | O1 | 120.6° | 120.0° |
| C2 | C1 | O51 | 120.4° | 120.0° |
| C1 | C2 | H21 | 109.5° | 109.4° |
| C1 | C2 | H22 | 109.5° | 109.4° |
| C24 | C23 | C22 | 111.6° | 109.5° |
| C24 | C23 | H231 | 108.8° | 109.5° |
| C24 | C23 | H232 | 108.3° | 109.5° |
| C23 | C24 | H241 | 108.6° | 109.5° |
| C23 | C24 | H242 | 108.0° | 109.5° |
| C23 | C22 | C21 | 112.2° | 109.5° |
| C23 | C22 | H221 | 108.6° | 109.5° |
| C23 | C22 | H222 | 107.9° | 109.5° |
| C22 | C23 | H231 | 108.8° | 109.5° |
| C22 | C23 | H232 | 108.3° | 109.5° |
| O1 | C1 | O51 | 119.0° | 120.0° |
| C1 | O51 | C51 | 117.8° | 117.0° |
| O21 | C21 | C22 | 121.6° | 120.0° |
| O21 | C21 | O52 | 124.2° | 120.0° |
| C22 | C21 | O52 | 114.2° | 120.0° |
| C21 | C22 | H221 | 108.5° | 109.5° |
| C21 | C22 | H222 | 107.9° | 109.5° |
| O51 | C51 | C52 | 109.2° | 109.4° |
| O51 | C51 | H511 | 109.5° | 109.4° |
| O51 | C51 | H512 | 109.6° | 109.4° |
| C21 | O52 | C52 | 122.0° | 117.0° |
| O52 | C52 | C51 | 107.9° | 109.5° |
| O52 | C52 | C53 | 109.1° | 109.5° |
| O52 | C52 | H52 | 109.9° | 109.5° |
| C51 | C52 | C53 | 107.0° | 109.5° |
| C51 | C52 | H52 | 112.0° | 109.4° |
| C52 | C51 | H511 | 109.5° | 109.5° |
| C52 | C51 | H512 | 109.6° | 109.5° |
| C52 | C53 | O53 | 112.7° | 109.5° |
| C53 | C52 | H52 | 110.8° | 109.5° |
| C52 | C53 | H531 | 108.4° | 109.5° |
| C52 | C53 | H532 | 107.7° | 109.5° |
| O53 | C53 | H531 | 108.4° | 109.5° |
| O53 | C53 | H532 | 107.7° | 109.4° |
| C53 | O53 | HO53 | 109.5° | 114.0° |
| H221 | C22 | H222 | 111.7° | 109.5° |
| H231 | C23 | H232 | 111.1° | 109.5° |
| H241 | C24 | H242 | 111.5° | 109.4° |
| H251 | C25 | H252 | 110.5° | 109.5° |
| H261 | C26 | H262 | 110.2° | 109.4° |
| H271 | C27 | H272 | 110.7° | 109.4° |
| H281 | C28 | H282 | 108.8° | 109.5° |
| H291 | C29 | H292 | 111.0° | 109.4° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H301 | C30 | H303 | 109.5° | 109.5° |
| H302 | C30 | H303 | 109.5° | 109.4° |
| H531 | C53 | H532 | 112.1° | 109.4° |
| H511 | C51 | H512 | 109.3° | 109.5° |
| H21 | C2 | H22 | 109.4° | 109.5° |
| H31 | C3 | H32 | 110.0° | 109.5° |
| H41 | C4 | H42 | 108.9° | 109.5° |
| H51 | C5 | H52A | 109.7° | 109.4° |
| H61 | C6 | H62 | 111.3° | 109.5° |
| H71 | C7 | H72 | 111.1° | 109.5° |
| H81 | C8 | H82 | 108.8° | 109.4° |
| H91 | C9 | H92 | 110.2° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.4° |
| H101 | C10 | H103 | 109.5° | 109.5° |
| H102 | C10 | H103 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C29 | C28 | H291 | 120.0° | 120.0° |
| C30 | C29 | C28 | H292 | 119.2° | 120.0° |
| C30 | C29 | C28 | C27 | 148.7° | 180.0° |
| C30 | C29 | C28 | H281 | 91.3° | 60.0° |
| C30 | C29 | C28 | H282 | 28.4° | 60.0° |
| C30 | C29 | H291 | H292 | 119.2° | 120.0° |
| C29 | C30 | H301 | H302 | 120.0° | 120.0° |
| C29 | C30 | H301 | H303 | 120.0° | 120.0° |
| C29 | C30 | H302 | H303 | 120.0° | 119.9° |
| C29 | C28 | C27 | H281 | 120.0° | 120.0° |
| C29 | C28 | C27 | H282 | 120.4° | 120.0° |
| C29 | C28 | C27 | C26 | 161.4° | 180.0° |
| C29 | C28 | C27 | H271 | 41.3° | 60.0° |
| C29 | C28 | C27 | H272 | 79.3° | 60.0° |
| C29 | C28 | H281 | H282 | 120.4° | 120.1° |
| C28 | C29 | H291 | H292 | 119.2° | 120.0° |
| C28 | C29 | C30 | H301 | 179.5° | 60.0° |
| C28 | C29 | C30 | H302 | 59.6° | 60.0° |
| C28 | C29 | C30 | H303 | 60.5° | 179.9° |
| C9 | C8 | C7 | H81 | 120.0° | 120.0° |
| C9 | C8 | C7 | H82 | 120.4° | 120.1° |
| C8 | C9 | C10 | H91 | 120.0° | 120.0° |
| C8 | C9 | C10 | H92 | 119.6° | 120.0° |
| C9 | C8 | C7 | C6 | 83.7° | 180.0° |
| C9 | C8 | C7 | H71 | 36.3° | 60.0° |
| C9 | C8 | C7 | H72 | 157.2° | 60.0° |
| C9 | C8 | H81 | H82 | 120.4° | 120.0° |
| C8 | C9 | H91 | H92 | 119.6° | 120.0° |
| C8 | C9 | C10 | H101 | 109.0° | 60.0° |
| C8 | C9 | C10 | H102 | 131.0° | 59.9° |
| C8 | C9 | C10 | H103 | 10.9° | 180.0° |
| C7 | C8 | C9 | C10 | 109.4° | 180.0° |
| C8 | C7 | C6 | H71 | 120.0° | 120.0° |
| C8 | C7 | C6 | H72 | 119.1° | 120.0° |
| C8 | C7 | C6 | C5 | 140.4° | 180.0° |
| C8 | C7 | C6 | H61 | 99.6° | 60.0° |
| C8 | C7 | C6 | H62 | 21.4° | 60.0° |
| C8 | C7 | H71 | H72 | 119.2° | 120.0° |
| C7 | C8 | H81 | H82 | 120.4° | 120.0° |
| C7 | C8 | C9 | H91 | 10.6° | 60.0° |
| C7 | C8 | C9 | H92 | 131.0° | 60.0° |
| C10 | C9 | C8 | H81 | 10.6° | 60.0° |
| C10 | C9 | C8 | H82 | 130.2° | 60.0° |
| C10 | C9 | H91 | H92 | 119.6° | 120.0° |
| C9 | C10 | H101 | H102 | 120.0° | 120.0° |
| C9 | C10 | H101 | H103 | 120.0° | 120.1° |
| C9 | C10 | H102 | H103 | 120.0° | 120.1° |
| C28 | C27 | C26 | H271 | 120.0° | 120.0° |
| C28 | C27 | C26 | H272 | 119.3° | 120.1° |
| C28 | C27 | C26 | C25 | 171.7° | 180.0° |
| C28 | C27 | C26 | H261 | 51.7° | 60.0° |
| C28 | C27 | C26 | H262 | 68.7° | 59.9° |
| C28 | C27 | H271 | H272 | 119.3° | 120.0° |
| C27 | C28 | H281 | H282 | 120.3° | 119.9° |
| C27 | C28 | C29 | H291 | 28.7° | 60.0° |
| C27 | C28 | C29 | H292 | 92.1° | 59.9° |
| C7 | C6 | C5 | H61 | 120.0° | 120.0° |
| C7 | C6 | C5 | H62 | 119.0° | 120.0° |
| C7 | C6 | C5 | C4 | 152.7° | 180.0° |
| C7 | C6 | C5 | H51 | 87.2° | 60.0° |
| C7 | C6 | C5 | H52A | 32.9° | 60.0° |
| C7 | C6 | H61 | H62 | 119.0° | 120.0° |
| C6 | C7 | H71 | H72 | 119.1° | 120.0° |
| C6 | C7 | C8 | H81 | 156.3° | 59.9° |
| C6 | C7 | C8 | H82 | 36.7° | 60.0° |
| C6 | C5 | C4 | H51 | 120.0° | 120.0° |
| C6 | C5 | C4 | H52A | 119.9° | 120.0° |
| C6 | C5 | C4 | C3 | 174.2° | 180.0° |
| C6 | C5 | C4 | H41 | 54.2° | 60.0° |
| C6 | C5 | C4 | H42 | 65.5° | 60.0° |
| C6 | C5 | H51 | H52A | 119.9° | 120.0° |
| C5 | C6 | H61 | H62 | 119.1° | 120.0° |
| C5 | C6 | C7 | H71 | 20.4° | 60.0° |
| C5 | C6 | C7 | H72 | 100.5° | 60.0° |
| C27 | C26 | C25 | H261 | 120.0° | 120.0° |
| C27 | C26 | C25 | H262 | 119.6° | 120.0° |
| C27 | C26 | C25 | C24 | 158.9° | 180.0° |
| C27 | C26 | C25 | H251 | 81.1° | 60.0° |
| C27 | C26 | C25 | H252 | 39.4° | 60.0° |
| C27 | C26 | H261 | H262 | 119.6° | 119.9° |
| C26 | C27 | H271 | H272 | 119.3° | 119.9° |
| C26 | C27 | C28 | H281 | 78.7° | 60.0° |
| C26 | C27 | C28 | H282 | 41.0° | 60.0° |
| C5 | C4 | C3 | H41 | 120.0° | 120.0° |
| C5 | C4 | C3 | H42 | 120.3° | 120.0° |
| C5 | C4 | C3 | C2 | 73.6° | 180.0° |
| C5 | C4 | C3 | H31 | 166.4° | 60.0° |
| C5 | C4 | C3 | H32 | 46.1° | 60.0° |
| C5 | C4 | H41 | H42 | 120.3° | 120.0° |
| C4 | C5 | H51 | H52A | 119.9° | 120.0° |
| C4 | C5 | C6 | H61 | 32.7° | 60.0° |
| C4 | C5 | C6 | H62 | 88.3° | 60.0° |
| C26 | C25 | C24 | H251 | 120.0° | 120.0° |
| C26 | C25 | C24 | H252 | 119.5° | 120.0° |
| C26 | C25 | C24 | C23 | 83.6° | 180.0° |
| C26 | C25 | C24 | H241 | 156.4° | 60.0° |
| C26 | C25 | C24 | H242 | 35.3° | 59.9° |
| C26 | C25 | H251 | H252 | 119.5° | 120.0° |
| C25 | C26 | H261 | H262 | 119.6° | 120.0° |
| C25 | C26 | C27 | H271 | 68.2° | 60.0° |
| C25 | C26 | C27 | H272 | 52.4° | 59.9° |
| C4 | C3 | C2 | H31 | 120.0° | 120.0° |
| C4 | C3 | C2 | H32 | 119.7° | 120.1° |
| C4 | C3 | C2 | C1 | 171.6° | 180.0° |
| C4 | C3 | C2 | H21 | 68.4° | 60.0° |
| C4 | C3 | C2 | H22 | 51.5° | 60.0° |
| C4 | C3 | H31 | H32 | 119.7° | 120.1° |
| C3 | C4 | H41 | H42 | 120.3° | 120.1° |
| C3 | C4 | C5 | H51 | 65.8° | 60.0° |
| C3 | C4 | C5 | H52A | 54.3° | 60.0° |
| C25 | C24 | C23 | H241 | 120.0° | 120.0° |
| C25 | C24 | C23 | H242 | 118.9° | 120.0° |
| C25 | C24 | C23 | C22 | 160.2° | 180.0° |
| C25 | C24 | C23 | H231 | 79.8° | 60.0° |
| C25 | C24 | C23 | H232 | 41.0° | 60.0° |
| C25 | C24 | H241 | H242 | 119.0° | 120.0° |
| C24 | C25 | H251 | H252 | 119.5° | 120.0° |
| C24 | C25 | C26 | H261 | 38.9° | 60.0° |
| C24 | C25 | C26 | H262 | 81.5° | 60.0° |
| C3 | C2 | C1 | H21 | 120.0° | 120.0° |
| C3 | C2 | C1 | H22 | 120.0° | 120.0° |
| C3 | C2 | C1 | O1 | 108.6° | 0.0° |
| C3 | C2 | C1 | O51 | 72.7° | 180.0° |
| C3 | C2 | H21 | H22 | 120.1° | 120.0° |
| C2 | C3 | H31 | H32 | 119.7° | 120.0° |
| C2 | C3 | C4 | H41 | 46.4° | 60.0° |
| C2 | C3 | C4 | H42 | 166.1° | 60.0° |
| C2 | C1 | O1 | O51 | 178.7° | 180.0° |
| C2 | C1 | O51 | C51 | 175.3° | 180.0° |
| C1 | C2 | H21 | H22 | 120.0° | 120.0° |
| C1 | C2 | C3 | H31 | 51.6° | 60.0° |
| C1 | C2 | C3 | H32 | 68.7° | 59.9° |
| C24 | C23 | C22 | H231 | 120.0° | 120.0° |
| C24 | C23 | C22 | H232 | 119.1° | 120.0° |
| C24 | C23 | C22 | C21 | 133.9° | 180.0° |
| C24 | C23 | C22 | H221 | 106.1° | 60.0° |
| C24 | C23 | C22 | H222 | 15.1° | 60.0° |
| C24 | C23 | H231 | H232 | 119.1° | 120.0° |
| C23 | C24 | H241 | H242 | 118.9° | 120.0° |
| C23 | C24 | C25 | H251 | 36.4° | 60.0° |
| C23 | C24 | C25 | H252 | 156.9° | 60.0° |
| C23 | C22 | C21 | O21 | 41.8° | 0.1° |
| C23 | C22 | C21 | H221 | 120.0° | 120.0° |
| C23 | C22 | C21 | H222 | 118.8° | 120.0° |
| C23 | C22 | C21 | O52 | 139.2° | 179.7° |
| C23 | C22 | H221 | H222 | 118.9° | 120.0° |
| C22 | C23 | H231 | H232 | 119.2° | 120.0° |
| C22 | C23 | C24 | H241 | 40.2° | 60.0° |
| C22 | C23 | C24 | H242 | 80.9° | 60.0° |
| O1 | C1 | O51 | C51 | 3.4° | 0.0° |
| O1 | C1 | C2 | H21 | 131.4° | 120.0° |
| O1 | C1 | C2 | H22 | 11.4° | 120.0° |
| C1 | O51 | C51 | C52 | 73.9° | 180.0° |
| C1 | O51 | C51 | H511 | 166.2° | 60.0° |
| C1 | O51 | C51 | H512 | 46.2° | 59.9° |
| O51 | C1 | C2 | H21 | 47.3° | 60.0° |
| O51 | C1 | C2 | H22 | 167.2° | 60.0° |
| O21 | C21 | C22 | O52 | 179.0° | 179.8° |
| O21 | C21 | O52 | C52 | 0.9° | 0.0° |
| O21 | C21 | C22 | H221 | 78.2° | 120.0° |
| O21 | C21 | C22 | H222 | 160.6° | 119.9° |
| C22 | C21 | O52 | C52 | 179.9° | 179.8° |
| C21 | C22 | H221 | H222 | 118.9° | 120.0° |
| C21 | C22 | C23 | H231 | 13.9° | 60.0° |
| C21 | C22 | C23 | H232 | 107.0° | 60.0° |
| O51 | C51 | C52 | O52 | 53.0° | 65.0° |
| O51 | C51 | C52 | H511 | 120.0° | 119.9° |
| O51 | C51 | C52 | H512 | 120.1° | 120.0° |
| O51 | C51 | C52 | C53 | 170.3° | 55.0° |
| O51 | C51 | C52 | H52 | 68.0° | 175.0° |
| O51 | C51 | H511 | H512 | 120.1° | 119.9° |
| C21 | O52 | C52 | C51 | 109.7° | 150.0° |
| C21 | O52 | C52 | C53 | 134.3° | 90.0° |
| O52 | C21 | C22 | H221 | 100.8° | 59.7° |
| O52 | C21 | C22 | H222 | 20.4° | 60.3° |
| C21 | O52 | C52 | H52 | 12.6° | 30.0° |
| O52 | C52 | C51 | C53 | 117.3° | 120.0° |
| O52 | C52 | C51 | H52 | 121.1° | 120.0° |
| O52 | C52 | C53 | H52 | 121.1° | 120.1° |
| O52 | C52 | C53 | O53 | 162.3° | 64.9° |
| O52 | C52 | C53 | H531 | 42.3° | 175.0° |
| O52 | C52 | C53 | H532 | 79.2° | 55.0° |
| O52 | C52 | C51 | H511 | 67.0° | 54.9° |
| O52 | C52 | C51 | H512 | 173.1° | 175.0° |
| C51 | C52 | C53 | H52 | 122.3° | 119.9° |
| C51 | C52 | C53 | O53 | 81.2° | 55.1° |
| C51 | C52 | C53 | H531 | 158.8° | 65.0° |
| C51 | C52 | C53 | H532 | 37.4° | 175.0° |
| C52 | C51 | H511 | H512 | 120.1° | 120.1° |
| C52 | C53 | O53 | H531 | 120.0° | 120.1° |
| C52 | C53 | O53 | H532 | 118.6° | 120.0° |
| C52 | C53 | H531 | H532 | 118.7° | 120.0° |
| C52 | C53 | O53 | HO53 | 9.7° | 179.9° |
| C53 | C52 | C51 | H511 | 50.4° | 175.0° |
| C53 | C52 | C51 | H512 | 69.6° | 64.9° |
| O53 | C53 | C52 | H52 | 41.1° | 175.0° |
| O53 | C53 | H531 | H532 | 118.7° | 120.0° |
| H221 | C22 | C23 | H231 | 133.9° | 180.0° |
| H221 | C22 | C23 | H232 | 13.0° | 60.0° |
| H222 | C22 | C23 | H231 | 104.9° | 60.0° |
| H222 | C22 | C23 | H232 | 134.2° | NaN° |
| H231 | C23 | C24 | H241 | 160.2° | 180.0° |
| H231 | C23 | C24 | H242 | 39.1° | 60.0° |
| H232 | C23 | C24 | H241 | 79.0° | 60.0° |
| H232 | C23 | C24 | H242 | 159.9° | 180.0° |
| H241 | C24 | C25 | H251 | 83.6° | 180.0° |
| H241 | C24 | C25 | H252 | 37.0° | 60.0° |
| H242 | C24 | C25 | H251 | 155.3° | 60.0° |
| H242 | C24 | C25 | H252 | 84.2° | 180.0° |
| H251 | C25 | C26 | H261 | 158.8° | 180.0° |
| H251 | C25 | C26 | H262 | 38.5° | 60.0° |
| H252 | C25 | C26 | H261 | 80.6° | 60.0° |
| H252 | C25 | C26 | H262 | 159.0° | 180.0° |
| H261 | C26 | C27 | H271 | 171.7° | NaN° |
| H261 | C26 | C27 | H272 | 67.6° | 60.1° |
| H262 | C26 | C27 | H271 | 51.4° | 60.1° |
| H262 | C26 | C27 | H272 | 172.0° | 180.0° |
| H271 | C27 | C28 | H281 | 161.3° | 180.0° |
| H271 | C27 | C28 | H282 | 79.0° | 60.0° |
| H272 | C27 | C28 | H281 | 40.7° | 60.0° |
| H272 | C27 | C28 | H282 | 160.3° | 180.0° |
| H281 | C28 | C29 | H291 | 148.7° | 179.9° |
| H281 | C28 | C29 | H292 | 27.9° | 60.0° |
| H282 | C28 | C29 | H291 | 91.6° | 60.0° |
| H282 | C28 | C29 | H292 | 147.6° | 180.0° |
| H291 | C29 | C30 | H301 | 59.5° | NaN° |
| H291 | C29 | C30 | H302 | 60.4° | 60.0° |
| H291 | C29 | C30 | H303 | 179.5° | 59.9° |
| H292 | C29 | C30 | H301 | 61.3° | 60.1° |
| H292 | C29 | C30 | H302 | 178.7° | 179.9° |
| H292 | C29 | C30 | H303 | 58.7° | 60.0° |
| H301 | C30 | H302 | H303 | 120.0° | 120.0° |
| H52 | C52 | C53 | H531 | 78.9° | 54.9° |
| H52 | C52 | C53 | H532 | 159.7° | 65.0° |
| H52 | C52 | C51 | H511 | 172.0° | 65.1° |
| H52 | C52 | C51 | H512 | 52.1° | 55.0° |
| H531 | C53 | O53 | HO53 | 129.6° | 60.0° |
| H532 | C53 | O53 | HO53 | 109.0° | 60.0° |
| H21 | C2 | C3 | H31 | 171.6° | 180.0° |
| H21 | C2 | C3 | H32 | 51.3° | 60.0° |
| H22 | C2 | C3 | H31 | 68.5° | 60.0° |
| H22 | C2 | C3 | H32 | 171.2° | 179.9° |
| H31 | C3 | C4 | H41 | 73.6° | 180.0° |
| H31 | C3 | C4 | H42 | 46.1° | 59.9° |
| H32 | C3 | C4 | H41 | 166.1° | 60.0° |
| H32 | C3 | C4 | H42 | 74.2° | 180.0° |
| H41 | C4 | C5 | H51 | 174.2° | 180.0° |
| H41 | C4 | C5 | H52A | 65.7° | 60.0° |
| H42 | C4 | C5 | H51 | 54.5° | 60.0° |
| H42 | C4 | C5 | H52A | 174.6° | 180.0° |
| H51 | C5 | C6 | H61 | 152.8° | 180.0° |
| H51 | C5 | C6 | H62 | 31.8° | 60.0° |
| H52A | C5 | C6 | H61 | 87.1° | 60.0° |
| H52A | C5 | C6 | H62 | 151.9° | 179.9° |
| H61 | C6 | C7 | H71 | 140.4° | 179.9° |
| H61 | C6 | C7 | H72 | 19.6° | 60.0° |
| H62 | C6 | C7 | H71 | 98.6° | 60.0° |
| H62 | C6 | C7 | H72 | 140.6° | 180.0° |
| H71 | C7 | C8 | H81 | 83.7° | 179.9° |
| H71 | C7 | C8 | H82 | 156.6° | 60.0° |
| H72 | C7 | C8 | H81 | 37.2° | 60.0° |
| H72 | C7 | C8 | H82 | 82.4° | 179.9° |
| H81 | C8 | C9 | H91 | 130.6° | 180.0° |
| H81 | C8 | C9 | H92 | 109.0° | 60.0° |
| H82 | C8 | C9 | H91 | 109.8° | 60.0° |
| H82 | C8 | C9 | H92 | 10.6° | 180.0° |
| H91 | C9 | C10 | H101 | 10.9° | 179.9° |
| H91 | C9 | C10 | H102 | 109.0° | 60.0° |
| H91 | C9 | C10 | H103 | 130.9° | 60.0° |
| H92 | C9 | C10 | H101 | 131.3° | 60.0° |
| H92 | C9 | C10 | H102 | 11.4° | 179.9° |
| H92 | C9 | C10 | H103 | 108.7° | 60.0° |
| H101 | C10 | H102 | H103 | 120.0° | 120.0° |
