UNH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | doub | 1.22Å | 1.24Å | |
| C1 | O3 | sing | 1.35Å | 1.24Å | |
| C1 | N8 | sing | 1.35Å | 1.33Å | |
| O3 | C4 | sing | 1.45Å | 1.40Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42A | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C7 | sing | 1.53Å | 1.52Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H63 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H73 | sing | 1.09Å | 1.10Å | |
| N8 | C9 | sing | 1.46Å | 1.46Å | |
| N8 | HN8 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | C16 | sing | 1.51Å | 1.51Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C15 | sing | 1.53Å | 1.53Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | O17 | doub | 1.21Å | 1.23Å | |
| C16 | N18 | sing | 1.35Å | 1.33Å | |
| N18 | C19 | sing | 1.46Å | 1.45Å | |
| N18 | H18 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | C24 | sing | 1.51Å | 1.52Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C21 | C23 | sing | 1.53Å | 1.51Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C24 | O25 | doub | 1.21Å | 1.23Å | |
| C24 | N26 | sing | 1.35Å | 1.33Å | |
| N26 | C27 | sing | 1.46Å | 1.46Å | |
| N26 | H26 | sing | 0.97Å | 1.00Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | C32 | sing | 1.51Å | 1.52Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | C30 | sing | 1.53Å | 1.49Å | |
| 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 | |
| O31 | C32 | doub | 1.21Å | 1.41Å | |
| C32 | C38 | sing | 1.49Å | 1.53Å | |
| O33 | C38 | doub | 1.21Å | 1.23Å | |
| N34 | C35 | sing | 1.46Å | 1.45Å | |
| N34 | C38 | sing | 1.35Å | 1.32Å | |
| N34 | H34 | sing | 0.97Å | 1.00Å | |
| C35 | C36 | sing | 1.51Å | 1.51Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | O37 | doub | 1.21Å | 1.23Å | |
| C36 | N39 | sing | 1.35Å | 1.33Å | |
| N39 | C40 | sing | 1.47Å | 1.46Å | |
| N39 | H39 | sing | 0.97Å | 1.00Å | |
| C40 | C41 | sing | 1.51Å | 1.51Å | |
| C40 | C47 | sing | 1.51Å | 1.53Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C41 | C42 | sing | 1.38Å | 1.40Å | Aromatic |
| C41 | C46 | doub | 1.38Å | 1.40Å | Aromatic |
| C42 | C43 | doub | 1.38Å | 1.39Å | Aromatic |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C43 | C44 | sing | 1.38Å | 1.40Å | Aromatic |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C44 | C45 | doub | 1.38Å | 1.40Å | Aromatic |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| C45 | C46 | sing | 1.38Å | 1.39Å | Aromatic |
| C45 | H45 | sing | 1.08Å | 1.08Å | |
| C46 | H46 | sing | 1.08Å | 1.08Å | |
| C47 | O48 | doub | 1.21Å | 1.24Å | |
| C47 | N49 | sing | 1.35Å | 1.33Å | |
| N49 | H491 | sing | 0.97Å | 1.00Å | |
| N49 | H492 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | O3 | 129.8° | 120.0° |
| O2 | C1 | N8 | 122.8° | 120.0° |
| O3 | C1 | N8 | 107.4° | 120.0° |
| C1 | O3 | C4 | 116.7° | 120.0° |
| C1 | N8 | C9 | 121.4° | 120.0° |
| C1 | N8 | HN8 | 119.3° | 120.0° |
| O3 | C4 | C5 | 110.1° | 109.5° |
| O3 | C4 | H41 | 109.1° | 109.5° |
| O3 | C4 | H42A | 109.3° | 109.4° |
| C5 | C4 | H41 | 109.1° | 109.5° |
| C5 | C4 | H42A | 109.3° | 109.5° |
| C4 | C5 | C6 | 109.1° | 109.5° |
| C4 | C5 | C7 | 109.6° | 109.5° |
| C4 | C5 | H5 | 110.0° | 109.5° |
| H41 | C4 | H42A | 109.9° | 109.4° |
| C6 | C5 | C7 | 110.7° | 109.5° |
| C6 | C5 | H5 | 108.9° | 109.4° |
| C5 | C6 | H61 | 109.4° | 109.5° |
| C5 | C6 | H62 | 109.5° | 109.4° |
| C5 | C6 | H63 | 109.5° | 109.5° |
| C7 | C5 | H5 | 108.5° | 109.5° |
| C5 | C7 | H71 | 109.5° | 109.5° |
| C5 | C7 | H72 | 109.5° | 109.5° |
| C5 | C7 | H73 | 109.5° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.4° |
| H61 | C6 | H63 | 109.5° | 109.5° |
| H62 | C6 | H63 | 109.5° | 109.5° |
| H71 | C7 | H72 | 109.5° | 109.4° |
| H71 | C7 | H73 | 109.5° | 109.4° |
| H72 | C7 | H73 | 109.5° | 109.5° |
| C9 | N8 | HN8 | 119.3° | 120.0° |
| N8 | C9 | C10 | 110.9° | 109.5° |
| N8 | C9 | C16 | 109.4° | 109.5° |
| N8 | C9 | H9 | 107.9° | 109.5° |
| C10 | C9 | C16 | 107.3° | 109.5° |
| C10 | C9 | H9 | 110.0° | 109.5° |
| C9 | C10 | C11 | 111.3° | 109.5° |
| C9 | C10 | C15 | 111.0° | 109.5° |
| C9 | C10 | H10 | 107.3° | 109.4° |
| C16 | C9 | H9 | 111.5° | 109.5° |
| C9 | C16 | O17 | 120.3° | 120.0° |
| C9 | C16 | N18 | 116.4° | 120.0° |
| C11 | C10 | C15 | 109.9° | 109.5° |
| C11 | C10 | H10 | 108.5° | 109.4° |
| C10 | C11 | C12 | 112.0° | 109.5° |
| C10 | C11 | H111 | 108.0° | 109.5° |
| C10 | C11 | H112 | 108.6° | 109.5° |
| C15 | C10 | H10 | 108.8° | 109.5° |
| C10 | C15 | C14 | 112.2° | 109.4° |
| C10 | C15 | H151 | 108.0° | 109.4° |
| C10 | C15 | H152 | 108.6° | 109.5° |
| C12 | C11 | H111 | 108.1° | 109.5° |
| C12 | C11 | H112 | 108.6° | 109.4° |
| C11 | C12 | C13 | 110.4° | 109.5° |
| C11 | C12 | H121 | 109.0° | 109.4° |
| C11 | C12 | H122 | 109.2° | 109.5° |
| H111 | C11 | H112 | 111.5° | 109.4° |
| C13 | C12 | H121 | 109.0° | 109.5° |
| C13 | C12 | H122 | 109.2° | 109.5° |
| C12 | C13 | C14 | 112.1° | 109.5° |
| C12 | C13 | H131 | 108.0° | 109.5° |
| C12 | C13 | H132 | 108.6° | 109.5° |
| H121 | C12 | H122 | 110.1° | 109.5° |
| C14 | C13 | H131 | 108.0° | 109.4° |
| C14 | C13 | H132 | 108.6° | 109.5° |
| C13 | C14 | C15 | 110.6° | 109.5° |
| C13 | C14 | H141 | 108.8° | 109.5° |
| C13 | C14 | H142 | 109.1° | 109.5° |
| H131 | C13 | H132 | 111.5° | 109.5° |
| C15 | C14 | H141 | 108.8° | 109.5° |
| C15 | C14 | H142 | 109.1° | 109.5° |
| C14 | C15 | H151 | 107.9° | 109.5° |
| C14 | C15 | H152 | 108.6° | 109.5° |
| H141 | C14 | H142 | 110.4° | 109.4° |
| H151 | C15 | H152 | 111.6° | 109.5° |
| O17 | C16 | N18 | 123.3° | 120.0° |
| C16 | N18 | C19 | 121.0° | 120.0° |
| C16 | N18 | H18 | 119.5° | 120.0° |
| C19 | N18 | H18 | 119.5° | 120.0° |
| N18 | C19 | C20 | 110.6° | 109.5° |
| N18 | C19 | C24 | 108.7° | 109.5° |
| N18 | C19 | H19 | 109.6° | 109.5° |
| C20 | C19 | C24 | 110.7° | 109.5° |
| C20 | C19 | H19 | 107.6° | 109.4° |
| C19 | C20 | C21 | 115.7° | 109.5° |
| C19 | C20 | H201 | 106.1° | 109.4° |
| C19 | C20 | H202 | 107.4° | 109.4° |
| C24 | C19 | H19 | 109.6° | 109.5° |
| C19 | C24 | O25 | 120.7° | 120.0° |
| C19 | C24 | N26 | 116.0° | 120.0° |
| C21 | C20 | H201 | 106.0° | 109.5° |
| C21 | C20 | H202 | 107.4° | 109.5° |
| C20 | C21 | C22 | 109.9° | 109.5° |
| C20 | C21 | C23 | 110.1° | 109.5° |
| C20 | C21 | H21 | 108.8° | 109.5° |
| H201 | C20 | H202 | 114.5° | 109.5° |
| C22 | C21 | C23 | 109.6° | 109.4° |
| C22 | C21 | H21 | 109.3° | 109.4° |
| C21 | C22 | H221 | 109.4° | 109.5° |
| C21 | C22 | H222 | 109.5° | 109.5° |
| C21 | C22 | H223 | 109.5° | 109.5° |
| C23 | C21 | H21 | 109.1° | 109.5° |
| C21 | C23 | H231 | 109.5° | 109.4° |
| C21 | C23 | H232 | 109.4° | 109.5° |
| C21 | C23 | H233 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H221 | C22 | H223 | 109.5° | 109.5° |
| H222 | C22 | H223 | 109.5° | 109.4° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H231 | C23 | H233 | 109.4° | 109.4° |
| H232 | C23 | H233 | 109.5° | 109.5° |
| O25 | C24 | N26 | 123.2° | 120.0° |
| C24 | N26 | C27 | 122.6° | 120.0° |
| C24 | N26 | H26 | 118.7° | 120.0° |
| C27 | N26 | H26 | 118.7° | 120.0° |
| N26 | C27 | C28 | 110.3° | 109.5° |
| N26 | C27 | C32 | 113.6° | 109.4° |
| N26 | C27 | H27 | 108.0° | 109.5° |
| C28 | C27 | C32 | 114.9° | 109.4° |
| C28 | C27 | H27 | 106.6° | 109.5° |
| C27 | C28 | C29 | 114.0° | 109.4° |
| C27 | C28 | H281 | 106.9° | 109.5° |
| C27 | C28 | H282 | 108.0° | 109.5° |
| C32 | C27 | H27 | 102.7° | 109.5° |
| C27 | C32 | O31 | 109.7° | 120.0° |
| C27 | C32 | C38 | 109.3° | 120.0° |
| C29 | C28 | H281 | 106.9° | 109.5° |
| C29 | C28 | H282 | 108.0° | 109.4° |
| C28 | C29 | C30 | 106.8° | 109.5° |
| C28 | C29 | H291 | 110.9° | 109.5° |
| C28 | C29 | H292 | 110.4° | 109.4° |
| H281 | C28 | H282 | 113.1° | 109.5° |
| C30 | C29 | H291 | 110.9° | 109.5° |
| C30 | C29 | H292 | 110.3° | 109.4° |
| C29 | C30 | H301 | 109.5° | 109.5° |
| C29 | C30 | H302 | 109.5° | 109.4° |
| C29 | C30 | H303 | 109.5° | 109.5° |
| H291 | C29 | H292 | 107.4° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.4° |
| H301 | C30 | H303 | 109.4° | 109.5° |
| H302 | C30 | H303 | 109.5° | 109.5° |
| O31 | C32 | C38 | 108.6° | 120.0° |
| C32 | C38 | O33 | 121.0° | 120.0° |
| C32 | C38 | N34 | 116.9° | 120.0° |
| O33 | C38 | N34 | 122.1° | 120.0° |
| C35 | N34 | C38 | 123.3° | 120.0° |
| C35 | N34 | H34 | 118.3° | 120.0° |
| N34 | C35 | C36 | 114.1° | 109.5° |
| N34 | C35 | H351 | 106.9° | 109.5° |
| N34 | C35 | H352 | 108.0° | 109.4° |
| C38 | N34 | H34 | 118.3° | 120.0° |
| C36 | C35 | H351 | 106.9° | 109.5° |
| C36 | C35 | H352 | 108.0° | 109.5° |
| C35 | C36 | O37 | 121.3° | 120.0° |
| C35 | C36 | N39 | 114.9° | 120.0° |
| H351 | C35 | H352 | 113.1° | 109.5° |
| O37 | C36 | N39 | 123.8° | 120.0° |
| C36 | N39 | C40 | 123.3° | 120.0° |
| C36 | N39 | H39 | 118.4° | 120.0° |
| C40 | N39 | H39 | 118.3° | 120.0° |
| N39 | C40 | C41 | 113.7° | 109.5° |
| N39 | C40 | C47 | 108.8° | 109.5° |
| N39 | C40 | H40 | 105.9° | 109.4° |
| C41 | C40 | C47 | 105.4° | 109.5° |
| C41 | C40 | H40 | 109.2° | 109.5° |
| C40 | C41 | C42 | 120.6° | 120.0° |
| C40 | C41 | C46 | 120.4° | 120.0° |
| C47 | C40 | H40 | 114.1° | 109.5° |
| C40 | C47 | O48 | 121.0° | 120.0° |
| C40 | C47 | N49 | 116.0° | 120.0° |
| C42 | C41 | C46 | 119.0° | 120.0° |
| C41 | C42 | C43 | 120.9° | 120.0° |
| C41 | C42 | H42 | 119.5° | 120.0° |
| C41 | C46 | C45 | 120.7° | 120.0° |
| C41 | C46 | H46 | 119.6° | 120.0° |
| C43 | C42 | H42 | 119.5° | 120.0° |
| C42 | C43 | C44 | 119.6° | 120.0° |
| C42 | C43 | H43 | 120.2° | 120.0° |
| C44 | C43 | H43 | 120.2° | 120.0° |
| C43 | C44 | C45 | 120.1° | 120.0° |
| C43 | C44 | H44 | 119.9° | 120.0° |
| C45 | C44 | H44 | 120.0° | 120.0° |
| C44 | C45 | C46 | 119.6° | 120.0° |
| C44 | C45 | H45 | 120.2° | 120.0° |
| C46 | C45 | H45 | 120.2° | 120.0° |
| C45 | C46 | H46 | 119.6° | 120.1° |
| O48 | C47 | N49 | 123.0° | 119.9° |
| C47 | N49 | H491 | 126.2° | 120.0° |
| C47 | N49 | H492 | 107.5° | 120.1° |
| H491 | N49 | H492 | 126.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | O3 | N8 | 179.3° | 180.0° |
| O2 | C1 | O3 | C4 | 3.4° | 0.0° |
| O2 | C1 | N8 | C9 | 10.1° | 0.0° |
| O2 | C1 | N8 | HN8 | 169.9° | 180.0° |
| C1 | O3 | C4 | C5 | 154.4° | 180.0° |
| C1 | O3 | C4 | H41 | 34.7° | 60.0° |
| C1 | O3 | C4 | H42A | 85.5° | 60.0° |
| O3 | C1 | N8 | C9 | 169.3° | 180.0° |
| O3 | C1 | N8 | HN8 | 10.7° | 0.0° |
| N8 | C1 | O3 | C4 | 175.9° | 180.0° |
| C1 | N8 | C9 | HN8 | 180.0° | 180.0° |
| C1 | N8 | C9 | C10 | 166.2° | 85.0° |
| C1 | N8 | C9 | C16 | 75.7° | 155.0° |
| C1 | N8 | C9 | H9 | 45.7° | 35.0° |
| O3 | C4 | C5 | H41 | 119.7° | 120.0° |
| O3 | C4 | C5 | H42A | 120.0° | 120.0° |
| O3 | C4 | H41 | H42A | 119.8° | 119.9° |
| O3 | C4 | C5 | C6 | 113.0° | 175.0° |
| O3 | C4 | C5 | C7 | 125.6° | 65.0° |
| O3 | C4 | C5 | H5 | 6.4° | 55.0° |
| C5 | C4 | H41 | H42A | 119.8° | 120.0° |
| C4 | C5 | C6 | C7 | 120.7° | 120.0° |
| C4 | C5 | C6 | H5 | 120.1° | 120.0° |
| C4 | C5 | C7 | H5 | 120.1° | 120.0° |
| C4 | C5 | C6 | H61 | 8.7° | 60.1° |
| C4 | C5 | C6 | H62 | 111.3° | 180.0° |
| C4 | C5 | C6 | H63 | 128.6° | 60.0° |
| C4 | C5 | C7 | H71 | 89.2° | 180.0° |
| C4 | C5 | C7 | H72 | 150.8° | 60.0° |
| C4 | C5 | C7 | H73 | 30.8° | 60.0° |
| H41 | C4 | C5 | C6 | 127.3° | 55.0° |
| H41 | C4 | C5 | C7 | 5.9° | 175.0° |
| H41 | C4 | C5 | H5 | 113.3° | 65.0° |
| H42A | C4 | C5 | C6 | 7.0° | 65.0° |
| H42A | C4 | C5 | C7 | 114.4° | 55.0° |
| H42A | C4 | C5 | H5 | 126.4° | 175.0° |
| C6 | C5 | C7 | H5 | 119.4° | 120.0° |
| C5 | C6 | H61 | H62 | 120.0° | 119.9° |
| C5 | C6 | H61 | H63 | 120.0° | 120.1° |
| C5 | C6 | H62 | H63 | 120.0° | 120.0° |
| C6 | C5 | C7 | H71 | 31.2° | 60.0° |
| C6 | C5 | C7 | H72 | 88.8° | 60.0° |
| C6 | C5 | C7 | H73 | 151.2° | 180.0° |
| C7 | C5 | C6 | H61 | 112.0° | 59.9° |
| C7 | C5 | C6 | H62 | 127.9° | 60.0° |
| C7 | C5 | C6 | H63 | 7.9° | 180.0° |
| C5 | C7 | H71 | H72 | 120.0° | 120.1° |
| C5 | C7 | H71 | H73 | 120.0° | 120.0° |
| C5 | C7 | H72 | H73 | 120.0° | 120.0° |
| H5 | C5 | C6 | H61 | 128.8° | 180.0° |
| H5 | C5 | C6 | H62 | 8.8° | 60.0° |
| H5 | C5 | C6 | H63 | 111.2° | 60.0° |
| H5 | C5 | C7 | H71 | 150.7° | 59.9° |
| H5 | C5 | C7 | H72 | 30.7° | 179.9° |
| H5 | C5 | C7 | H73 | 89.3° | 60.0° |
| H61 | C6 | H62 | H63 | 120.0° | 120.0° |
| H71 | C7 | H72 | H73 | 120.0° | 119.9° |
| N8 | C9 | C10 | C16 | 119.4° | 120.0° |
| N8 | C9 | C10 | H9 | 119.2° | 120.0° |
| N8 | C9 | C16 | H9 | 119.2° | 120.0° |
| N8 | C9 | C10 | C11 | 179.8° | 60.0° |
| N8 | C9 | C10 | C15 | 57.0° | 60.0° |
| N8 | C9 | C10 | H10 | 61.7° | 180.0° |
| N8 | C9 | C16 | O17 | 55.4° | 0.0° |
| N8 | C9 | C16 | N18 | 123.9° | 180.0° |
| HN8 | N8 | C9 | C10 | 13.8° | 95.0° |
| HN8 | N8 | C9 | C16 | 104.3° | 25.0° |
| HN8 | N8 | C9 | H9 | 134.3° | 145.0° |
| C10 | C9 | C16 | H9 | 120.5° | 120.0° |
| C9 | C10 | C11 | C15 | 123.4° | 120.0° |
| C9 | C10 | C11 | H10 | 117.8° | 119.9° |
| C9 | C10 | C15 | H10 | 117.9° | 120.0° |
| C9 | C10 | C11 | C12 | 180.0° | 180.0° |
| C9 | C10 | C11 | H111 | 61.1° | 59.9° |
| C9 | C10 | C11 | H112 | 60.0° | 60.0° |
| C9 | C10 | C15 | C14 | 179.6° | 180.0° |
| C9 | C10 | C15 | H151 | 61.6° | 60.0° |
| C9 | C10 | C15 | H152 | 59.6° | 60.0° |
| C10 | C9 | C16 | O17 | 64.9° | 120.0° |
| C10 | C9 | C16 | N18 | 115.8° | 60.0° |
| C16 | C9 | C10 | C11 | 60.9° | 180.0° |
| C16 | C9 | C10 | C15 | 176.4° | 60.0° |
| C16 | C9 | C10 | H10 | 57.6° | 60.1° |
| C9 | C16 | O17 | N18 | 179.2° | 180.0° |
| C9 | C16 | N18 | C19 | 179.2° | 175.0° |
| C9 | C16 | N18 | H18 | 0.8° | 5.0° |
| H9 | C9 | C10 | C11 | 60.5° | 60.0° |
| H9 | C9 | C10 | C15 | 62.2° | 180.0° |
| H9 | C9 | C10 | H10 | 179.0° | 60.0° |
| H9 | C9 | C16 | O17 | 174.6° | 120.0° |
| H9 | C9 | C16 | N18 | 4.7° | 60.0° |
| C11 | C10 | C15 | H10 | 118.6° | 120.0° |
| C10 | C11 | C12 | H111 | 118.9° | 120.1° |
| C10 | C11 | C12 | H112 | 120.0° | 120.0° |
| C10 | C11 | H111 | H112 | 119.3° | 120.0° |
| C10 | C11 | C12 | C13 | 56.1° | 60.0° |
| C10 | C11 | C12 | H121 | 175.8° | 60.0° |
| C10 | C11 | C12 | H122 | 63.9° | 180.0° |
| C11 | C10 | C15 | C14 | 56.1° | 60.0° |
| C11 | C10 | C15 | H151 | 174.9° | 60.0° |
| C11 | C10 | C15 | H152 | 63.9° | 180.0° |
| C15 | C10 | C11 | C12 | 56.7° | 60.0° |
| C15 | C10 | C11 | H111 | 62.3° | 179.9° |
| C15 | C10 | C11 | H112 | 176.6° | 60.0° |
| C10 | C15 | C14 | C13 | 55.1° | 60.0° |
| C10 | C15 | C14 | H151 | 118.8° | 119.9° |
| C10 | C15 | C14 | H152 | 120.0° | 120.0° |
| C10 | C15 | C14 | H141 | 174.6° | 60.0° |
| C10 | C15 | C14 | H142 | 64.9° | 180.0° |
| C10 | C15 | H151 | H152 | 119.2° | 120.0° |
| H10 | C10 | C11 | C12 | 62.1° | 60.1° |
| H10 | C10 | C11 | H111 | 178.9° | 60.0° |
| H10 | C10 | C11 | H112 | 57.9° | 179.9° |
| H10 | C10 | C15 | C14 | 62.5° | 60.1° |
| H10 | C10 | C15 | H151 | 56.3° | 180.0° |
| H10 | C10 | C15 | H152 | 177.5° | 60.0° |
| C12 | C11 | H111 | H112 | 119.3° | 120.0° |
| C11 | C12 | C13 | H121 | 119.6° | 120.0° |
| C11 | C12 | C13 | H122 | 120.0° | 120.0° |
| C11 | C12 | H121 | H122 | 119.7° | 120.0° |
| C11 | C12 | C13 | C14 | 54.7° | 60.0° |
| C11 | C12 | C13 | H131 | 64.2° | 179.9° |
| C11 | C12 | C13 | H132 | 174.7° | 60.1° |
| H111 | C11 | C12 | C13 | 62.8° | 180.0° |
| H111 | C11 | C12 | H121 | 56.9° | 60.1° |
| H111 | C11 | C12 | H122 | 177.2° | 59.9° |
| H112 | C11 | C12 | C13 | 176.1° | 60.0° |
| H112 | C11 | C12 | H121 | 64.2° | 180.0° |
| H112 | C11 | C12 | H122 | 56.1° | 60.0° |
| C13 | C12 | H121 | H122 | 119.8° | 120.0° |
| C12 | C13 | C14 | H131 | 118.9° | 120.0° |
| C12 | C13 | C14 | H132 | 120.0° | 120.1° |
| C12 | C13 | H131 | H132 | 119.3° | 120.0° |
| C12 | C13 | C14 | C15 | 54.2° | 60.0° |
| C12 | C13 | C14 | H141 | 173.7° | 60.0° |
| C12 | C13 | C14 | H142 | 65.8° | 179.9° |
| H121 | C12 | C13 | C14 | 174.3° | 60.0° |
| H121 | C12 | C13 | H131 | 55.4° | 60.0° |
| H121 | C12 | C13 | H132 | 65.7° | 180.0° |
| H122 | C12 | C13 | C14 | 65.3° | 180.0° |
| H122 | C12 | C13 | H131 | 175.7° | 60.0° |
| H122 | C12 | C13 | H132 | 54.7° | 60.0° |
| C14 | C13 | H131 | H132 | 119.3° | 120.0° |
| C13 | C14 | C15 | H141 | 119.5° | 120.0° |
| C13 | C14 | C15 | H142 | 120.0° | 120.0° |
| C13 | C14 | H141 | H142 | 119.7° | 120.0° |
| C13 | C14 | C15 | H151 | 173.9° | 59.9° |
| C13 | C14 | C15 | H152 | 65.0° | 180.0° |
| H131 | C13 | C14 | C15 | 64.7° | 180.0° |
| H131 | C13 | C14 | H141 | 54.8° | 60.0° |
| H131 | C13 | C14 | H142 | 175.3° | 60.0° |
| H132 | C13 | C14 | C15 | 174.2° | 60.0° |
| H132 | C13 | C14 | H141 | 66.3° | 179.9° |
| H132 | C13 | C14 | H142 | 54.2° | 60.0° |
| C15 | C14 | H141 | H142 | 119.7° | 120.0° |
| C14 | C15 | H151 | H152 | 119.3° | 120.1° |
| H141 | C14 | C15 | H151 | 66.6° | 180.0° |
| H141 | C14 | C15 | H152 | 54.5° | 60.0° |
| H142 | C14 | C15 | H151 | 53.9° | 60.1° |
| H142 | C14 | C15 | H152 | 175.0° | 60.0° |
| O17 | C16 | N18 | C19 | 1.6° | 4.9° |
| O17 | C16 | N18 | H18 | 178.4° | 175.1° |
| C16 | N18 | C19 | H18 | 180.0° | 180.0° |
| C16 | N18 | C19 | C20 | 162.2° | 87.9° |
| C16 | N18 | C19 | C24 | 76.1° | 152.1° |
| C16 | N18 | C19 | H19 | 43.7° | 32.1° |
| N18 | C19 | C20 | C24 | 120.5° | 120.0° |
| N18 | C19 | C20 | H19 | 119.8° | 120.0° |
| N18 | C19 | C24 | H19 | 119.8° | 120.0° |
| N18 | C19 | C20 | C21 | 58.9° | 177.3° |
| N18 | C19 | C20 | H201 | 176.0° | 57.3° |
| N18 | C19 | C20 | H202 | 61.1° | 62.7° |
| N18 | C19 | C24 | O25 | 59.2° | 18.9° |
| N18 | C19 | C24 | N26 | 118.7° | 161.2° |
| H18 | N18 | C19 | C20 | 17.8° | 92.1° |
| H18 | N18 | C19 | C24 | 103.9° | 27.9° |
| H18 | N18 | C19 | H19 | 136.3° | 147.9° |
| C20 | C19 | C24 | H19 | 118.5° | 120.0° |
| C19 | C20 | C21 | H201 | 117.2° | 120.0° |
| C19 | C20 | C21 | H202 | 120.0° | 119.9° |
| C19 | C20 | H201 | H202 | 118.3° | 120.0° |
| C19 | C20 | C21 | C22 | 167.2° | 65.8° |
| C19 | C20 | C21 | C23 | 46.5° | 174.3° |
| C19 | C20 | C21 | H21 | 73.1° | 54.2° |
| C20 | C19 | C24 | O25 | 62.4° | 101.2° |
| C20 | C19 | C24 | N26 | 119.7° | 78.8° |
| C24 | C19 | C20 | C21 | 179.4° | 62.7° |
| C24 | C19 | C20 | H201 | 63.5° | 177.3° |
| C24 | C19 | C20 | H202 | 59.4° | 57.3° |
| C19 | C24 | O25 | N26 | 177.7° | 179.9° |
| C19 | C24 | N26 | C27 | 179.6° | 173.7° |
| C19 | C24 | N26 | H26 | 0.4° | 6.2° |
| H19 | C19 | C20 | C21 | 60.9° | 57.3° |
| H19 | C19 | C20 | H201 | 56.3° | 62.7° |
| H19 | C19 | C20 | H202 | 179.1° | 177.2° |
| H19 | C19 | C24 | O25 | 179.0° | 138.9° |
| H19 | C19 | C24 | N26 | 1.1° | 41.2° |
| C21 | C20 | H201 | H202 | 118.2° | 120.0° |
| C20 | C21 | C22 | C23 | 121.1° | 120.0° |
| C20 | C21 | C22 | H21 | 119.3° | 120.0° |
| C20 | C21 | C23 | H21 | 119.3° | 120.1° |
| C20 | C21 | C22 | H221 | 120.5° | 179.0° |
| C20 | C21 | C22 | H222 | 0.5° | 58.9° |
| C20 | C21 | C22 | H223 | 119.5° | 61.0° |
| C20 | C21 | C23 | H231 | 144.4° | 60.0° |
| C20 | C21 | C23 | H232 | 24.4° | 180.0° |
| C20 | C21 | C23 | H233 | 95.6° | 59.9° |
| H201 | C20 | C21 | C22 | 50.0° | 54.2° |
| H201 | C20 | C21 | C23 | 70.8° | 65.8° |
| H201 | C20 | C21 | H21 | 169.7° | 174.2° |
| H202 | C20 | C21 | C22 | 72.8° | 174.3° |
| H202 | C20 | C21 | C23 | 166.4° | 54.3° |
| H202 | C20 | C21 | H21 | 46.9° | 65.7° |
| C22 | C21 | C23 | H21 | 119.7° | 119.9° |
| C21 | C22 | H221 | H222 | 120.0° | 120.0° |
| C21 | C22 | H221 | H223 | 120.0° | 120.0° |
| C21 | C22 | H222 | H223 | 120.0° | 120.0° |
| C22 | C21 | C23 | H231 | 94.6° | 180.0° |
| C22 | C21 | C23 | H232 | 145.4° | 60.0° |
| C22 | C21 | C23 | H233 | 25.4° | 60.1° |
| C23 | C21 | C22 | H221 | 0.6° | 61.0° |
| C23 | C21 | C22 | H222 | 120.6° | 179.0° |
| C23 | C21 | C22 | H223 | 119.4° | 59.0° |
| C21 | C23 | H231 | H232 | 120.0° | 120.1° |
| C21 | C23 | H231 | H233 | 120.0° | 119.9° |
| C21 | C23 | H232 | H233 | 120.0° | 120.1° |
| H21 | C21 | C22 | H221 | 120.2° | 58.9° |
| H21 | C21 | C22 | H222 | 119.8° | 61.1° |
| H21 | C21 | C22 | H223 | 0.2° | 179.0° |
| H21 | C21 | C23 | H231 | 25.1° | 60.1° |
| H21 | C21 | C23 | H232 | 94.9° | 59.9° |
| H21 | C21 | C23 | H233 | 145.1° | 180.0° |
| H221 | C22 | H222 | H223 | 120.0° | 120.0° |
| H231 | C23 | H232 | H233 | 120.0° | 119.9° |
| O25 | C24 | N26 | C27 | 1.7° | 6.4° |
| O25 | C24 | N26 | H26 | 178.3° | 173.7° |
| C24 | N26 | C27 | H26 | 180.0° | 179.9° |
| C24 | N26 | C27 | C28 | 123.5° | 85.0° |
| C24 | N26 | C27 | C32 | 105.8° | 155.0° |
| C24 | N26 | C27 | H27 | 7.4° | 35.1° |
| N26 | C27 | C28 | C32 | 130.0° | 120.0° |
| N26 | C27 | C28 | H27 | 117.0° | 120.0° |
| N26 | C27 | C32 | H27 | 116.4° | 120.0° |
| N26 | C27 | C28 | C29 | 92.7° | 65.0° |
| N26 | C27 | C28 | H281 | 149.3° | 175.0° |
| N26 | C27 | C28 | H282 | 27.3° | 55.0° |
| N26 | C27 | C32 | O31 | 40.8° | 15.1° |
| N26 | C27 | C32 | C38 | 159.7° | 165.0° |
| H26 | N26 | C27 | C28 | 56.5° | 95.0° |
| H26 | N26 | C27 | C32 | 74.2° | 25.0° |
| H26 | N26 | C27 | H27 | 172.6° | 145.0° |
| C28 | C27 | C32 | H27 | 115.2° | 120.0° |
| C27 | C28 | C29 | H281 | 118.0° | 120.0° |
| C27 | C28 | C29 | H282 | 120.0° | 120.0° |
| C27 | C28 | H281 | H282 | 118.7° | 120.1° |
| C27 | C28 | C29 | C30 | 120.8° | 180.0° |
| C27 | C28 | C29 | H291 | 0.2° | 60.0° |
| C27 | C28 | C29 | H292 | 119.2° | 60.0° |
| C28 | C27 | C32 | O31 | 169.2° | 105.0° |
| C28 | C27 | C32 | C38 | 71.9° | 75.0° |
| C32 | C27 | C28 | C29 | 137.2° | 175.0° |
| C32 | C27 | C28 | H281 | 19.3° | 55.0° |
| C32 | C27 | C28 | H282 | 102.7° | 65.0° |
| C27 | C32 | O31 | C38 | 119.4° | 179.9° |
| C27 | C32 | C38 | O33 | 81.6° | 0.0° |
| C27 | C32 | C38 | N34 | 98.3° | 180.0° |
| H27 | C27 | C28 | C29 | 24.3° | 55.0° |
| H27 | C27 | C28 | H281 | 93.7° | 64.9° |
| H27 | C27 | C28 | H282 | 144.3° | 175.0° |
| H27 | C27 | C32 | O31 | 75.6° | 135.0° |
| H27 | C27 | C32 | C38 | 43.3° | 45.0° |
| C29 | C28 | H281 | H282 | 118.7° | 119.9° |
| C28 | C29 | C30 | H291 | 121.0° | 120.1° |
| C28 | C29 | C30 | H292 | 120.0° | 119.9° |
| C28 | C29 | H291 | H292 | 120.7° | 120.0° |
| C28 | C29 | C30 | H301 | 123.7° | 180.0° |
| C28 | C29 | C30 | H302 | 116.3° | 60.1° |
| C28 | C29 | C30 | H303 | 3.7° | 59.9° |
| H281 | C28 | C29 | C30 | 121.2° | 60.0° |
| H281 | C28 | C29 | H291 | 117.7° | 179.9° |
| H281 | C28 | C29 | H292 | 1.2° | 60.0° |
| H282 | C28 | C29 | C30 | 0.8° | 60.0° |
| H282 | C28 | C29 | H291 | 120.2° | 60.1° |
| H282 | C28 | C29 | H292 | 120.8° | 180.0° |
| C30 | C29 | H291 | H292 | 120.7° | 120.0° |
| C29 | C30 | H301 | H302 | 120.0° | 119.9° |
| C29 | C30 | H301 | H303 | 120.0° | 120.1° |
| C29 | C30 | H302 | H303 | 120.0° | 120.1° |
| H291 | C29 | C30 | H301 | 2.6° | 59.9° |
| H291 | C29 | C30 | H302 | 122.6° | 60.0° |
| H291 | C29 | C30 | H303 | 117.4° | 180.0° |
| H292 | C29 | C30 | H301 | 116.3° | 60.1° |
| H292 | C29 | C30 | H302 | 3.7° | 180.0° |
| H292 | C29 | C30 | H303 | 123.7° | 60.0° |
| H301 | C30 | H302 | H303 | 120.0° | 120.0° |
| O31 | C32 | C38 | O33 | 158.8° | 180.0° |
| O31 | C32 | C38 | N34 | 21.3° | 0.1° |
| C32 | C38 | O33 | N34 | 179.9° | 180.0° |
| C32 | C38 | N34 | C35 | 175.8° | 180.0° |
| C32 | C38 | N34 | H34 | 4.2° | 0.1° |
| O33 | C38 | N34 | C35 | 4.3° | 0.0° |
| O33 | C38 | N34 | H34 | 175.8° | 180.0° |
| C35 | N34 | C38 | H34 | 180.0° | 180.0° |
| N34 | C35 | C36 | H351 | 118.0° | 120.0° |
| N34 | C35 | C36 | H352 | 120.0° | 120.0° |
| N34 | C35 | H351 | H352 | 118.7° | 120.0° |
| N34 | C35 | C36 | O37 | 8.7° | 0.0° |
| N34 | C35 | C36 | N39 | 171.1° | 180.0° |
| C38 | N34 | C35 | C36 | 93.5° | 180.0° |
| C38 | N34 | C35 | H351 | 148.5° | 60.0° |
| C38 | N34 | C35 | H352 | 26.6° | 60.0° |
| H34 | N34 | C35 | C36 | 86.5° | 0.0° |
| H34 | N34 | C35 | H351 | 31.4° | 120.0° |
| H34 | N34 | C35 | H352 | 153.4° | 120.0° |
| C36 | C35 | H351 | H352 | 118.7° | 120.0° |
| C35 | C36 | O37 | N39 | 179.7° | 180.0° |
| C35 | C36 | N39 | C40 | 179.7° | 180.0° |
| C35 | C36 | N39 | H39 | 0.3° | 0.0° |
| H351 | C35 | C36 | O37 | 126.6° | 120.0° |
| H351 | C35 | C36 | N39 | 53.1° | 60.0° |
| H352 | C35 | C36 | O37 | 111.4° | 120.0° |
| H352 | C35 | C36 | N39 | 68.9° | 60.0° |
| O37 | C36 | N39 | C40 | 0.0° | 0.0° |
| O37 | C36 | N39 | H39 | 180.0° | 180.0° |
| C36 | N39 | C40 | H39 | 180.0° | 180.0° |
| C36 | N39 | C40 | C41 | 93.8° | 155.0° |
| C36 | N39 | C40 | C47 | 149.1° | 85.0° |
| C36 | N39 | C40 | H40 | 26.1° | 35.0° |
| N39 | C40 | C41 | C47 | 119.0° | 120.0° |
| N39 | C40 | C41 | H40 | 118.0° | 120.0° |
| N39 | C40 | C47 | H40 | 118.0° | 120.0° |
| N39 | C40 | C41 | C42 | 38.5° | 39.7° |
| N39 | C40 | C41 | C46 | 141.8° | 140.0° |
| N39 | C40 | C47 | O48 | 28.9° | 0.1° |
| N39 | C40 | C47 | N49 | 151.0° | 180.0° |
| H39 | N39 | C40 | C41 | 86.2° | 25.0° |
| H39 | N39 | C40 | C47 | 30.9° | 95.0° |
| H39 | N39 | C40 | H40 | 153.9° | 145.0° |
| C41 | C40 | C47 | H40 | 119.8° | 120.0° |
| C40 | C41 | C42 | C46 | 179.7° | 179.7° |
| C40 | C41 | C42 | C43 | 179.5° | 179.8° |
| C40 | C41 | C42 | H42 | 0.5° | 0.3° |
| C40 | C41 | C46 | C45 | 179.6° | 180.0° |
| C40 | C41 | C46 | H46 | 0.4° | 0.0° |
| C41 | C40 | C47 | O48 | 93.3° | 120.0° |
| C41 | C40 | C47 | N49 | 86.7° | 60.0° |
| C47 | C40 | C41 | C42 | 80.5° | 80.3° |
| C47 | C40 | C41 | C46 | 99.2° | 100.0° |
| C40 | C47 | O48 | N49 | 179.9° | 179.9° |
| C40 | C47 | N49 | H491 | 0.0° | 0.1° |
| C40 | C47 | N49 | H492 | 180.0° | 180.0° |
| H40 | C40 | C41 | C42 | 156.5° | 159.7° |
| H40 | C40 | C41 | C46 | 23.8° | 20.0° |
| H40 | C40 | C47 | O48 | 146.9° | 120.0° |
| H40 | C40 | C47 | N49 | 33.1° | 60.1° |
| C41 | C42 | C43 | H42 | 180.0° | 179.6° |
| C41 | C42 | C43 | C44 | 0.2° | 0.4° |
| C41 | C42 | C43 | H43 | 179.7° | 179.7° |
| C42 | C41 | C46 | C45 | 0.1° | 0.2° |
| C42 | C41 | C46 | H46 | 179.9° | 179.7° |
| C46 | C41 | C42 | C43 | 0.2° | 0.4° |
| C46 | C41 | C42 | H42 | 179.8° | 180.0° |
| C41 | C46 | C45 | C44 | 0.0° | 0.0° |
| C41 | C46 | C45 | H46 | 180.0° | 179.9° |
| C41 | C46 | C45 | H45 | 179.9° | 180.0° |
| C42 | C43 | C44 | H43 | 180.0° | 179.9° |
| C42 | C43 | C44 | C45 | 0.2° | 0.1° |
| C42 | C43 | C44 | H44 | 179.8° | 179.8° |
| H42 | C42 | C43 | C44 | 179.8° | 179.9° |
| H42 | C42 | C43 | H43 | 0.3° | 0.1° |
| C43 | C44 | C45 | H44 | 180.0° | 179.9° |
| C43 | C44 | C45 | C46 | 0.1° | 0.1° |
| C43 | C44 | C45 | H45 | 179.9° | 179.9° |
| H43 | C43 | C44 | C45 | 179.8° | 180.0° |
| H43 | C43 | C44 | H44 | 0.2° | 0.1° |
| C44 | C45 | C46 | H45 | 180.0° | 180.0° |
| C44 | C45 | C46 | H46 | 180.0° | 180.0° |
| H44 | C44 | C45 | C46 | 179.9° | 180.0° |
| H44 | C44 | C45 | H45 | 0.1° | 0.0° |
| H45 | C45 | C46 | H46 | 0.1° | 0.1° |
| O48 | C47 | N49 | H491 | 179.9° | 180.0° |
| O48 | C47 | N49 | H492 | 0.1° | 0.1° |
| C47 | N49 | H491 | H492 | 180.0° | 179.9° |
