BNH
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 | 1.28Å | |
| C1 | N8 | sing | 1.35Å | 1.33Å | |
| O3 | C4 | sing | 1.45Å | 1.44Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | H41A | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | C7 | sing | 1.53Å | 1.51Å | |
| 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 | 1.47Å | 1.46Å | |
| N8 | HN8 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | C16 | sing | 1.51Å | 1.52Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | C13 | sing | 1.53Å | 1.52Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | C14 | sing | 1.53Å | 1.52Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | C15 | sing | 1.53Å | 1.52Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| 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 | 1.46Å | |
| N18 | H18 | sing | 0.97Å | 1.00Å | |
| C19 | C20 | sing | 1.51Å | 1.52Å | |
| C19 | C22 | sing | 1.53Å | 1.53Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | O21 | doub | 1.21Å | 1.23Å | |
| C20 | N26 | sing | 1.35Å | 1.33Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | C25 | sing | 1.53Å | 1.52Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| 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 | |
| N26 | C27 | sing | 1.46Å | 1.46Å | |
| N26 | H26 | sing | 0.97Å | 1.00Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C27 | C33 | sing | 1.51Å | 1.56Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.53Å | 1.56Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | C31 | sing | 1.53Å | 1.53Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| O32 | C33 | doub | 1.21Å | 1.42Å | |
| C33 | C35 | sing | 1.49Å | 1.52Å | |
| O34 | C35 | doub | 1.21Å | 1.23Å | |
| C35 | N36 | sing | 1.35Å | 1.33Å | |
| N36 | C37 | sing | 1.47Å | 1.45Å | |
| N36 | H36 | sing | 0.97Å | 1.00Å | |
| C37 | C38 | sing | 1.51Å | 1.51Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C38 | O39 | doub | 1.21Å | 1.24Å | |
| C38 | N40 | sing | 1.35Å | 1.32Å | |
| N40 | C41 | sing | 1.46Å | 1.45Å | |
| N40 | H40 | sing | 0.97Å | 1.00Å | |
| C41 | C42 | sing | 1.51Å | 1.50Å | |
| C41 | C48 | sing | 1.51Å | 1.53Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C42 | C43 | sing | 1.38Å | 1.40Å | Aromatic |
| C42 | C44 | doub | 1.38Å | 1.39Å | Aromatic |
| C43 | C45 | doub | 1.38Å | 1.37Å | Aromatic |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C44 | C46 | sing | 1.38Å | 1.38Å | Aromatic |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| C45 | C47 | sing | 1.38Å | 1.39Å | Aromatic |
| C45 | H45 | sing | 1.08Å | 1.08Å | |
| C46 | C47 | doub | 1.38Å | 1.40Å | Aromatic |
| C46 | H46 | sing | 1.08Å | 1.08Å | |
| C47 | H47 | sing | 1.08Å | 1.08Å | |
| C48 | O49 | sing | 1.34Å | 1.24Å | |
| C48 | O50 | doub | 1.21Å | 1.24Å | |
| O49 | H49 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | O3 | 121.1° | 120.0° |
| O2 | C1 | N8 | 123.0° | 120.0° |
| O3 | C1 | N8 | 115.9° | 120.0° |
| C1 | O3 | C4 | 125.9° | 120.0° |
| C1 | N8 | C9 | 122.3° | 120.0° |
| C1 | N8 | HN8 | 118.9° | 120.0° |
| O3 | C4 | C5 | 121.3° | 109.5° |
| O3 | C4 | H41A | 102.9° | 109.5° |
| O3 | C4 | H42 | 105.7° | 109.4° |
| C5 | C4 | H41A | 102.9° | 109.5° |
| C5 | C4 | H42 | 105.7° | 109.5° |
| C4 | C5 | C6 | 111.2° | 109.5° |
| C4 | C5 | C7 | 111.4° | 109.5° |
| C4 | C5 | H5 | 107.3° | 109.5° |
| H41A | C4 | H42 | 119.3° | 109.5° |
| C6 | C5 | C7 | 110.4° | 109.5° |
| C6 | C5 | H5 | 108.3° | 109.4° |
| C5 | C6 | H61 | 109.5° | 109.5° |
| C5 | C6 | H62 | 109.5° | 109.5° |
| C5 | C6 | H63 | 109.5° | 109.4° |
| C7 | C5 | H5 | 108.1° | 109.5° |
| C5 | C7 | H71 | 109.5° | 109.5° |
| C5 | C7 | H72 | 109.4° | 109.4° |
| C5 | C7 | H73 | 109.5° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| H61 | C6 | H63 | 109.4° | 109.5° |
| H62 | C6 | H63 | 109.5° | 109.4° |
| H71 | C7 | H72 | 109.5° | 109.5° |
| H71 | C7 | H73 | 109.5° | 109.5° |
| H72 | C7 | H73 | 109.5° | 109.5° |
| C9 | N8 | HN8 | 118.8° | 120.0° |
| N8 | C9 | C10 | 111.8° | 109.5° |
| N8 | C9 | C16 | 111.2° | 109.4° |
| N8 | C9 | H9 | 105.8° | 109.5° |
| C10 | C9 | C16 | 106.6° | 109.5° |
| C10 | C9 | H9 | 110.4° | 109.5° |
| C9 | C10 | C11 | 110.4° | 109.5° |
| C9 | C10 | C12 | 111.4° | 109.4° |
| C9 | C10 | H10 | 106.4° | 109.4° |
| C16 | C9 | H9 | 111.1° | 109.5° |
| C9 | C16 | O17 | 120.3° | 120.1° |
| C9 | C16 | N18 | 116.0° | 120.0° |
| C11 | C10 | C12 | 106.0° | 109.5° |
| C11 | C10 | H10 | 111.9° | 109.5° |
| C10 | C11 | C13 | 112.9° | 109.5° |
| C10 | C11 | H111 | 107.6° | 109.5° |
| C10 | C11 | H112 | 108.3° | 109.5° |
| C12 | C10 | H10 | 110.8° | 109.4° |
| C10 | C12 | C14 | 112.8° | 109.5° |
| C10 | C12 | H121 | 107.6° | 109.4° |
| C10 | C12 | H122 | 108.4° | 109.5° |
| C13 | C11 | H111 | 107.6° | 109.4° |
| C13 | C11 | H112 | 108.3° | 109.5° |
| C11 | C13 | C15 | 110.7° | 109.4° |
| C11 | C13 | H131 | 108.8° | 109.5° |
| C11 | C13 | H132 | 109.1° | 109.5° |
| H111 | C11 | H112 | 112.2° | 109.5° |
| C14 | C12 | H121 | 107.6° | 109.5° |
| C14 | C12 | H122 | 108.4° | 109.5° |
| C12 | C14 | C15 | 110.8° | 109.5° |
| C12 | C14 | H141 | 108.7° | 109.4° |
| C12 | C14 | H142 | 109.0° | 109.5° |
| H121 | C12 | H122 | 112.1° | 109.5° |
| C15 | C13 | H131 | 108.8° | 109.5° |
| C15 | C13 | H132 | 109.0° | 109.5° |
| C13 | C15 | C14 | 111.0° | 109.5° |
| C13 | C15 | H151 | 108.6° | 109.4° |
| C13 | C15 | H152 | 109.0° | 109.5° |
| H131 | C13 | H132 | 110.4° | 109.5° |
| C15 | C14 | H141 | 108.8° | 109.5° |
| C15 | C14 | H142 | 109.1° | 109.5° |
| C14 | C15 | H151 | 108.6° | 109.5° |
| C14 | C15 | H152 | 109.0° | 109.5° |
| H141 | C14 | H142 | 110.5° | 109.5° |
| H151 | C15 | H152 | 110.7° | 109.4° |
| O17 | C16 | N18 | 123.7° | 120.0° |
| C16 | N18 | C19 | 121.9° | 120.0° |
| C16 | N18 | H18 | 119.1° | 120.0° |
| C19 | N18 | H18 | 119.1° | 120.1° |
| N18 | C19 | C20 | 109.4° | 109.5° |
| N18 | C19 | C22 | 110.4° | 109.5° |
| N18 | C19 | H19 | 108.9° | 109.5° |
| C20 | C19 | C22 | 109.6° | 109.4° |
| C20 | C19 | H19 | 109.8° | 109.5° |
| C19 | C20 | O21 | 120.5° | 120.0° |
| C19 | C20 | N26 | 116.2° | 120.0° |
| C22 | C19 | H19 | 108.8° | 109.4° |
| C19 | C22 | C23 | 108.7° | 109.5° |
| C19 | C22 | H221 | 109.9° | 109.5° |
| C19 | C22 | H222 | 109.7° | 109.5° |
| O21 | C20 | N26 | 123.3° | 120.0° |
| C20 | N26 | C27 | 122.2° | 119.9° |
| C20 | N26 | H26 | 118.9° | 120.0° |
| C23 | C22 | H221 | 109.9° | 109.5° |
| C23 | C22 | H222 | 109.7° | 109.4° |
| C22 | C23 | C24 | 117.6° | 117.5° |
| C22 | C23 | C25 | 117.3° | 117.6° |
| C22 | C23 | H23 | 93.1° | 115.5° |
| H221 | C22 | H222 | 108.9° | 109.5° |
| C24 | C23 | C25 | 60.5° | 60.0° |
| C24 | C23 | H23 | 134.7° | 117.5° |
| C23 | C24 | C25 | 59.6° | 60.0° |
| C23 | C24 | H241 | 136.2° | 117.5° |
| C23 | C24 | H242 | 131.1° | 117.5° |
| C25 | C23 | H23 | 134.9° | 117.5° |
| C23 | C25 | C24 | 59.8° | 60.0° |
| C23 | C25 | H251 | 136.1° | 117.5° |
| C23 | C25 | H252 | 131.0° | 117.5° |
| C25 | C24 | H241 | 136.2° | 117.5° |
| C25 | C24 | H242 | 131.1° | 117.5° |
| C24 | C25 | H251 | 136.1° | 117.5° |
| C24 | C25 | H252 | 131.0° | 117.5° |
| H241 | C24 | H242 | 74.5° | 115.6° |
| H251 | C25 | H252 | 74.6° | 115.5° |
| C27 | N26 | H26 | 118.9° | 120.1° |
| N26 | C27 | C28 | 109.8° | 109.4° |
| N26 | C27 | C33 | 115.1° | 109.5° |
| N26 | C27 | H27 | 105.8° | 109.5° |
| C28 | C27 | C33 | 110.8° | 109.5° |
| C28 | C27 | H27 | 110.5° | 109.4° |
| C27 | C28 | C29 | 113.0° | 109.5° |
| C27 | C28 | H281 | 107.5° | 109.5° |
| C27 | C28 | H282 | 108.3° | 109.4° |
| C33 | C27 | H27 | 104.6° | 109.4° |
| C27 | C33 | O32 | 110.2° | 119.9° |
| C27 | C33 | C35 | 106.1° | 120.0° |
| C29 | C28 | H281 | 107.5° | 109.5° |
| C29 | C28 | H282 | 108.3° | 109.5° |
| C28 | C29 | C30 | 119.8° | 117.5° |
| C28 | C29 | C31 | 119.1° | 117.5° |
| C28 | C29 | H29 | 90.7° | 115.6° |
| H281 | C28 | H282 | 112.3° | 109.5° |
| C30 | C29 | C31 | 60.1° | 60.0° |
| C30 | C29 | H29 | 134.7° | 117.5° |
| C29 | C30 | C31 | 59.9° | 60.0° |
| C29 | C30 | H301 | 136.0° | 117.5° |
| C29 | C30 | H302 | 130.9° | 117.5° |
| C31 | C29 | H29 | 135.2° | 117.5° |
| C29 | C31 | C30 | 60.0° | 60.0° |
| C29 | C31 | H311 | 136.0° | 117.5° |
| C29 | C31 | H312 | 130.9° | 117.5° |
| C31 | C30 | H301 | 136.1° | 117.5° |
| C31 | C30 | H302 | 130.9° | 117.5° |
| C30 | C31 | H311 | 136.0° | 117.5° |
| C30 | C31 | H312 | 130.9° | 117.4° |
| H301 | C30 | H302 | 74.7° | 115.5° |
| H311 | C31 | H312 | 74.7° | 115.6° |
| O32 | C33 | C35 | 106.5° | 120.0° |
| C33 | C35 | O34 | 122.3° | 120.0° |
| C33 | C35 | N36 | 114.9° | 120.0° |
| O34 | C35 | N36 | 122.8° | 120.0° |
| C35 | N36 | C37 | 123.6° | 120.0° |
| C35 | N36 | H36 | 118.2° | 120.0° |
| C37 | N36 | H36 | 118.2° | 120.0° |
| N36 | C37 | C38 | 113.7° | 109.4° |
| N36 | C37 | H371 | 107.1° | 109.4° |
| N36 | C37 | H372 | 108.1° | 109.5° |
| C38 | C37 | H371 | 107.1° | 109.5° |
| C38 | C37 | H372 | 108.1° | 109.5° |
| C37 | C38 | O39 | 122.3° | 120.1° |
| C37 | C38 | N40 | 114.4° | 120.0° |
| H371 | C37 | H372 | 112.8° | 109.5° |
| O39 | C38 | N40 | 123.3° | 120.0° |
| C38 | N40 | C41 | 123.6° | 120.0° |
| C38 | N40 | H40 | 118.2° | 120.0° |
| C41 | N40 | H40 | 118.2° | 119.9° |
| N40 | C41 | C42 | 118.1° | 109.5° |
| N40 | C41 | C48 | 106.1° | 109.5° |
| N40 | C41 | H41 | 105.3° | 109.4° |
| C42 | C41 | C48 | 107.2° | 109.5° |
| C42 | C41 | H41 | 104.1° | 109.5° |
| C41 | C42 | C43 | 120.3° | 119.9° |
| C41 | C42 | C44 | 118.6° | 120.0° |
| C48 | C41 | H41 | 116.5° | 109.5° |
| C41 | C48 | O49 | 120.2° | 120.0° |
| C41 | C48 | O50 | 120.7° | 120.1° |
| C43 | C42 | C44 | 121.0° | 120.0° |
| C42 | C43 | C45 | 120.8° | 120.0° |
| C42 | C43 | H43 | 119.6° | 120.0° |
| C42 | C44 | C46 | 117.9° | 120.0° |
| C42 | C44 | H44 | 121.1° | 120.0° |
| C45 | C43 | H43 | 119.6° | 120.0° |
| C43 | C45 | C47 | 118.8° | 120.0° |
| C43 | C45 | H45 | 120.6° | 120.0° |
| C46 | C44 | H44 | 121.0° | 120.0° |
| C44 | C46 | C47 | 120.8° | 120.0° |
| C44 | C46 | H46 | 119.6° | 120.0° |
| C47 | C45 | H45 | 120.6° | 120.0° |
| C45 | C47 | C46 | 120.7° | 120.0° |
| C45 | C47 | H47 | 119.6° | 120.0° |
| C47 | C46 | H46 | 119.6° | 120.0° |
| C46 | C47 | H47 | 119.7° | 120.0° |
| O49 | C48 | O50 | 119.2° | 119.9° |
| C48 | O49 | H49 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | O3 | N8 | 179.9° | 180.0° |
| O2 | C1 | O3 | C4 | 0.4° | 0.0° |
| O2 | C1 | N8 | C9 | 9.1° | 0.0° |
| O2 | C1 | N8 | HN8 | 170.9° | 179.9° |
| C1 | O3 | C4 | C5 | 129.2° | 180.0° |
| C1 | O3 | C4 | H41A | 15.1° | 59.9° |
| C1 | O3 | C4 | H42 | 110.8° | 60.0° |
| O3 | C1 | N8 | C9 | 170.8° | 180.0° |
| O3 | C1 | N8 | HN8 | 9.2° | 0.0° |
| N8 | C1 | O3 | C4 | 179.7° | 180.0° |
| C1 | N8 | C9 | HN8 | 180.0° | 180.0° |
| C1 | N8 | C9 | C10 | 164.0° | 85.0° |
| C1 | N8 | C9 | C16 | 77.0° | 155.0° |
| C1 | N8 | C9 | H9 | 43.7° | 35.0° |
| O3 | C4 | C5 | H41A | 114.1° | 120.0° |
| O3 | C4 | C5 | H42 | 120.0° | 120.0° |
| O3 | C4 | H41A | H42 | 116.5° | 119.9° |
| O3 | C4 | C5 | C6 | 115.4° | 64.9° |
| O3 | C4 | C5 | C7 | 8.1° | 175.0° |
| O3 | C4 | C5 | H5 | 126.3° | 55.0° |
| C5 | C4 | H41A | H42 | 116.6° | 120.0° |
| C4 | C5 | C6 | C7 | 124.1° | 120.1° |
| C4 | C5 | C6 | H5 | 117.7° | 120.0° |
| C4 | C5 | C7 | H5 | 117.6° | 120.0° |
| C4 | C5 | C6 | H61 | 176.3° | 180.0° |
| C4 | C5 | C6 | H62 | 63.7° | 59.9° |
| C4 | C5 | C6 | H63 | 56.3° | 60.0° |
| C4 | C5 | C7 | H71 | 107.2° | 60.0° |
| C4 | C5 | C7 | H72 | 12.7° | 60.0° |
| C4 | C5 | C7 | H73 | 132.8° | 180.0° |
| H41A | C4 | C5 | C6 | 1.3° | 175.0° |
| H41A | C4 | C5 | C7 | 122.3° | 55.0° |
| H41A | C4 | C5 | H5 | 119.6° | 65.0° |
| H42 | C4 | C5 | C6 | 124.6° | 55.0° |
| H42 | C4 | C5 | C7 | 111.9° | 65.0° |
| H42 | C4 | C5 | H5 | 6.2° | 175.0° |
| C6 | C5 | C7 | H5 | 118.3° | 120.0° |
| C5 | C6 | H61 | H62 | 120.0° | 120.1° |
| C5 | C6 | H61 | H63 | 120.0° | 120.0° |
| C5 | C6 | H62 | H63 | 120.0° | 120.0° |
| C6 | C5 | C7 | H71 | 128.7° | 60.1° |
| C6 | C5 | C7 | H72 | 111.3° | 180.0° |
| C6 | C5 | C7 | H73 | 8.8° | 60.0° |
| C7 | C5 | C6 | H61 | 59.6° | 60.0° |
| C7 | C5 | C6 | H62 | 60.4° | 180.0° |
| C7 | C5 | C6 | H63 | 179.6° | 60.0° |
| C5 | C7 | H71 | H72 | 120.0° | 119.9° |
| C5 | C7 | H71 | H73 | 120.0° | 120.0° |
| C5 | C7 | H72 | H73 | 120.0° | 120.0° |
| H5 | C5 | C6 | H61 | 58.6° | 60.0° |
| H5 | C5 | C6 | H62 | 178.6° | 60.0° |
| H5 | C5 | C6 | H63 | 61.4° | 180.0° |
| H5 | C5 | C7 | H71 | 10.4° | 180.0° |
| H5 | C5 | C7 | H72 | 130.4° | 60.0° |
| H5 | C5 | C7 | H73 | 109.6° | 60.0° |
| H61 | C6 | H62 | H63 | 120.0° | 120.0° |
| H71 | C7 | H72 | H73 | 120.0° | 120.0° |
| N8 | C9 | C10 | C16 | 121.7° | 120.0° |
| N8 | C9 | C10 | H9 | 117.5° | 120.0° |
| N8 | C9 | C16 | H9 | 117.6° | 120.0° |
| N8 | C9 | C10 | C11 | 179.1° | 60.0° |
| N8 | C9 | C10 | C12 | 61.6° | 60.0° |
| N8 | C9 | C10 | H10 | 59.3° | 179.9° |
| N8 | C9 | C16 | O17 | 58.0° | 0.0° |
| N8 | C9 | C16 | N18 | 122.8° | 180.0° |
| HN8 | N8 | C9 | C10 | 16.0° | 95.1° |
| HN8 | N8 | C9 | C16 | 103.1° | 25.0° |
| HN8 | N8 | C9 | H9 | 136.3° | 144.9° |
| C10 | C9 | C16 | H9 | 120.4° | 120.0° |
| C9 | C10 | C11 | C12 | 120.8° | 120.0° |
| C9 | C10 | C11 | H10 | 118.3° | 120.0° |
| C9 | C10 | C12 | H10 | 118.3° | 119.9° |
| C9 | C10 | C11 | C13 | 179.7° | 180.0° |
| C9 | C10 | C11 | H111 | 61.2° | 60.0° |
| C9 | C10 | C11 | H112 | 60.3° | 60.0° |
| C9 | C10 | C12 | C14 | 179.1° | 180.0° |
| C9 | C10 | C12 | H121 | 62.3° | 60.0° |
| C9 | C10 | C12 | H122 | 59.1° | 60.0° |
| C10 | C9 | C16 | O17 | 64.1° | 120.0° |
| C10 | C9 | C16 | N18 | 115.1° | 60.0° |
| C16 | C9 | C10 | C11 | 59.2° | 180.0° |
| C16 | C9 | C10 | C12 | 176.7° | 59.9° |
| C16 | C9 | C10 | H10 | 62.4° | 59.9° |
| C9 | C16 | O17 | N18 | 179.2° | 180.0° |
| C9 | C16 | N18 | C19 | 179.4° | 177.4° |
| C9 | C16 | N18 | H18 | 0.6° | 2.6° |
| H9 | C9 | C10 | C11 | 61.5° | 60.0° |
| H9 | C9 | C10 | C12 | 55.9° | 180.0° |
| H9 | C9 | C10 | H10 | 176.9° | 60.1° |
| H9 | C9 | C16 | O17 | 175.5° | 120.0° |
| H9 | C9 | C16 | N18 | 5.2° | 60.0° |
| C11 | C10 | C12 | H10 | 121.6° | 120.0° |
| C10 | C11 | C13 | H111 | 118.5° | 120.0° |
| C10 | C11 | C13 | H112 | 120.0° | 120.1° |
| C10 | C11 | H111 | H112 | 119.1° | 120.0° |
| C11 | C10 | C12 | C14 | 59.0° | 60.0° |
| C11 | C10 | C12 | H121 | 177.6° | 60.0° |
| C11 | C10 | C12 | H122 | 61.0° | 180.0° |
| C10 | C11 | C13 | C15 | 58.0° | 60.0° |
| C10 | C11 | C13 | H131 | 177.5° | 60.0° |
| C10 | C11 | C13 | H132 | 62.0° | 180.0° |
| C12 | C10 | C11 | C13 | 58.9° | 60.0° |
| C12 | C10 | C11 | H111 | 59.6° | 180.0° |
| C12 | C10 | C11 | H112 | 178.9° | 60.0° |
| C10 | C12 | C14 | H121 | 118.6° | 120.0° |
| C10 | C12 | C14 | H122 | 120.0° | 120.0° |
| C10 | C12 | H121 | H122 | 119.1° | 120.0° |
| C10 | C12 | C14 | C15 | 58.3° | 59.9° |
| C10 | C12 | C14 | H141 | 61.2° | 60.1° |
| C10 | C12 | C14 | H142 | 178.3° | 180.0° |
| H10 | C10 | C11 | C13 | 62.0° | 60.0° |
| H10 | C10 | C11 | H111 | 179.5° | 60.0° |
| H10 | C10 | C11 | H112 | 58.0° | 180.0° |
| H10 | C10 | C12 | C14 | 62.5° | 60.1° |
| H10 | C10 | C12 | H121 | 56.0° | 179.9° |
| H10 | C10 | C12 | H122 | 177.4° | 59.9° |
| C13 | C11 | H111 | H112 | 119.0° | 119.9° |
| C11 | C13 | C15 | H131 | 119.5° | 120.0° |
| C11 | C13 | C15 | H132 | 120.0° | 120.0° |
| C11 | C13 | H131 | H132 | 119.7° | 120.0° |
| C11 | C13 | C15 | C14 | 53.3° | 60.0° |
| C11 | C13 | C15 | H151 | 66.0° | 180.0° |
| C11 | C13 | C15 | H152 | 173.3° | 60.1° |
| H111 | C11 | C13 | C15 | 60.6° | 180.0° |
| H111 | C11 | C13 | H131 | 58.9° | 60.0° |
| H111 | C11 | C13 | H132 | 179.5° | 60.0° |
| H112 | C11 | C13 | C15 | 178.0° | 60.0° |
| H112 | C11 | C13 | H131 | 62.5° | 179.9° |
| H112 | C11 | C13 | H132 | 58.0° | 60.0° |
| C14 | C12 | H121 | H122 | 119.0° | 120.0° |
| C12 | C14 | C15 | C13 | 53.5° | 60.0° |
| C12 | C14 | C15 | H141 | 119.5° | 120.0° |
| C12 | C14 | C15 | H142 | 120.0° | 120.0° |
| C12 | C14 | H141 | H142 | 119.6° | 120.0° |
| C12 | C14 | C15 | H151 | 65.9° | 180.0° |
| C12 | C14 | C15 | H152 | 173.5° | 60.1° |
| H121 | C12 | C14 | C15 | 176.9° | 60.0° |
| H121 | C12 | C14 | H141 | 57.4° | 180.0° |
| H121 | C12 | C14 | H142 | 63.1° | 60.0° |
| H122 | C12 | C14 | C15 | 61.8° | 180.0° |
| H122 | C12 | C14 | H141 | 178.8° | 60.0° |
| H122 | C12 | C14 | H142 | 58.2° | 60.0° |
| C15 | C13 | H131 | H132 | 119.6° | 120.0° |
| C13 | C15 | C14 | H151 | 119.4° | 120.0° |
| C13 | C15 | C14 | H152 | 120.0° | 120.1° |
| C13 | C15 | C14 | H141 | 66.0° | 60.0° |
| C13 | C15 | C14 | H142 | 173.5° | 180.0° |
| C13 | C15 | H151 | H152 | 119.6° | 120.0° |
| H131 | C13 | C15 | C14 | 172.8° | 60.0° |
| H131 | C13 | C15 | H151 | 53.4° | 60.0° |
| H131 | C13 | C15 | H152 | 67.2° | 179.9° |
| H132 | C13 | C15 | C14 | 66.7° | 180.0° |
| H132 | C13 | C15 | H151 | 174.0° | 60.0° |
| H132 | C13 | C15 | H152 | 53.3° | 59.9° |
| C15 | C14 | H141 | H142 | 119.7° | 120.1° |
| C14 | C15 | H151 | H152 | 119.6° | 120.0° |
| H141 | C14 | C15 | H151 | 174.7° | 60.0° |
| H141 | C14 | C15 | H152 | 54.0° | 180.0° |
| H142 | C14 | C15 | H151 | 54.1° | 60.0° |
| H142 | C14 | C15 | H152 | 66.5° | 59.9° |
| O17 | C16 | N18 | C19 | 0.2° | 2.6° |
| O17 | C16 | N18 | H18 | 179.9° | 177.4° |
| C16 | N18 | C19 | H18 | 180.0° | 180.0° |
| C16 | N18 | C19 | C20 | 75.8° | 84.5° |
| C16 | N18 | C19 | C22 | 163.5° | 155.5° |
| C16 | N18 | C19 | H19 | 44.2° | 35.5° |
| N18 | C19 | C20 | C22 | 121.2° | 120.0° |
| N18 | C19 | C20 | H19 | 119.5° | 120.1° |
| N18 | C19 | C22 | H19 | 119.4° | 120.0° |
| N18 | C19 | C20 | O21 | 53.1° | 0.1° |
| N18 | C19 | C20 | N26 | 125.7° | 180.0° |
| N18 | C19 | C22 | C23 | 61.6° | 65.8° |
| N18 | C19 | C22 | H221 | 178.1° | 54.2° |
| N18 | C19 | C22 | H222 | 58.4° | 174.2° |
| H18 | N18 | C19 | C20 | 104.2° | 95.5° |
| H18 | N18 | C19 | C22 | 16.5° | 24.5° |
| H18 | N18 | C19 | H19 | 135.8° | 144.5° |
| C20 | C19 | C22 | H19 | 120.0° | 120.0° |
| C19 | C20 | O21 | N26 | 178.7° | 180.0° |
| C20 | C19 | C22 | C23 | 177.8° | 174.2° |
| C20 | C19 | C22 | H221 | 57.5° | 65.8° |
| C20 | C19 | C22 | H222 | 62.2° | 54.2° |
| C19 | C20 | N26 | C27 | 179.9° | 175.1° |
| C19 | C20 | N26 | H26 | 0.1° | 4.8° |
| C22 | C19 | C20 | O21 | 68.1° | 120.0° |
| C22 | C19 | C20 | N26 | 113.1° | 60.0° |
| C19 | C22 | C23 | H221 | 120.3° | 120.0° |
| C19 | C22 | C23 | H222 | 120.0° | 120.0° |
| C19 | C22 | H221 | H222 | 120.2° | 120.0° |
| C19 | C22 | C23 | C24 | 71.5° | 175.0° |
| C19 | C22 | C23 | C25 | 140.8° | 116.3° |
| C19 | C22 | C23 | H23 | 73.8° | 29.4° |
| H19 | C19 | C20 | O21 | 172.5° | 120.0° |
| H19 | C19 | C20 | N26 | 6.2° | 60.0° |
| H19 | C19 | C22 | C23 | 57.8° | 54.2° |
| H19 | C19 | C22 | H221 | 62.4° | 174.2° |
| H19 | C19 | C22 | H222 | 177.8° | 65.8° |
| O21 | C20 | N26 | C27 | 1.2° | 4.9° |
| O21 | C20 | N26 | H26 | 178.8° | 175.2° |
| C20 | N26 | C27 | H26 | 180.0° | 179.9° |
| C20 | N26 | C27 | C28 | 114.5° | 156.9° |
| C20 | N26 | C27 | C33 | 119.6° | 83.1° |
| C20 | N26 | C27 | H27 | 4.7° | 36.9° |
| C23 | C22 | H221 | H222 | 120.2° | 120.0° |
| C22 | C23 | C24 | C25 | 107.4° | 107.6° |
| C22 | C23 | C24 | H23 | 127.0° | 145.0° |
| C22 | C23 | C25 | H23 | 126.9° | 145.0° |
| C22 | C23 | C24 | H241 | 125.9° | 145.0° |
| C22 | C23 | C24 | H242 | 12.6° | 0.1° |
| C22 | C23 | C25 | H251 | 18.8° | 0.0° |
| C22 | C23 | C25 | H252 | 132.1° | 145.0° |
| H221 | C22 | C23 | C24 | 48.8° | 55.0° |
| H221 | C22 | C23 | C25 | 20.5° | 123.6° |
| H221 | C22 | C23 | H23 | 165.9° | 90.7° |
| H222 | C22 | C23 | C24 | 168.5° | 65.0° |
| H222 | C22 | C23 | C25 | 99.3° | 3.7° |
| H222 | C22 | C23 | H23 | 46.2° | 149.4° |
| C24 | C23 | C25 | H23 | 125.2° | 107.5° |
| C23 | C24 | C25 | H241 | 126.6° | 107.5° |
| C23 | C24 | C25 | H242 | 120.0° | 107.5° |
| C23 | C24 | H241 | H242 | 134.1° | 145.7° |
| C24 | C23 | C25 | H251 | 126.7° | 107.5° |
| C24 | C23 | C25 | H252 | 120.0° | 107.5° |
| C23 | C25 | H251 | H252 | 134.0° | 145.7° |
| H23 | C23 | C24 | H241 | 1.1° | 0.0° |
| H23 | C23 | C24 | H242 | 114.4° | 145.0° |
| H23 | C23 | C25 | H251 | 108.0° | 145.0° |
| H23 | C23 | C25 | H252 | 5.3° | 0.0° |
| C25 | C24 | H241 | H242 | 134.1° | 145.7° |
| C24 | C25 | H251 | H252 | 134.0° | 145.7° |
| H241 | C24 | C25 | H251 | 106.6° | 145.0° |
| H241 | C24 | C25 | H252 | 6.6° | 0.0° |
| H242 | C24 | C25 | H251 | 6.7° | 0.0° |
| H242 | C24 | C25 | H252 | 120.0° | 145.0° |
| N26 | C27 | C28 | C33 | 128.2° | 120.0° |
| N26 | C27 | C28 | H27 | 116.3° | 120.0° |
| N26 | C27 | C33 | H27 | 115.6° | 120.1° |
| N26 | C27 | C28 | C29 | 73.3° | 65.8° |
| N26 | C27 | C28 | H281 | 168.2° | 54.2° |
| N26 | C27 | C28 | H282 | 46.7° | 174.1° |
| N26 | C27 | C33 | O32 | 46.5° | 15.0° |
| N26 | C27 | C33 | C35 | 161.3° | 165.0° |
| H26 | N26 | C27 | C28 | 65.5° | 23.0° |
| H26 | N26 | C27 | C33 | 60.3° | 97.0° |
| H26 | N26 | C27 | H27 | 175.3° | 143.0° |
| C28 | C27 | C33 | H27 | 119.1° | 120.0° |
| C27 | C28 | C29 | H281 | 118.5° | 120.0° |
| C27 | C28 | C29 | H282 | 120.0° | 120.0° |
| C27 | C28 | H281 | H282 | 119.0° | 119.9° |
| C27 | C28 | C29 | C30 | 179.1° | 174.8° |
| C27 | C28 | C29 | C31 | 108.9° | 116.6° |
| C27 | C28 | C29 | H29 | 36.1° | 29.1° |
| C28 | C27 | C33 | O32 | 171.8° | 105.0° |
| C28 | C27 | C33 | C35 | 73.4° | 75.0° |
| C33 | C27 | C28 | C29 | 158.5° | 174.2° |
| C33 | C27 | C28 | H281 | 40.0° | 65.8° |
| C33 | C27 | C28 | H282 | 81.5° | 54.1° |
| C27 | C33 | O32 | C35 | 114.6° | 180.0° |
| C27 | C33 | C35 | O34 | 89.1° | 0.0° |
| C27 | C33 | C35 | N36 | 91.0° | 180.0° |
| H27 | C27 | C28 | C29 | 43.0° | 54.2° |
| H27 | C27 | C28 | H281 | 75.5° | 174.2° |
| H27 | C27 | C28 | H282 | 163.0° | 65.8° |
| H27 | C27 | C33 | O32 | 69.1° | 135.1° |
| H27 | C27 | C33 | C35 | 45.7° | 45.0° |
| C29 | C28 | H281 | H282 | 119.0° | 120.1° |
| C28 | C29 | C30 | C31 | 108.6° | 107.5° |
| C28 | C29 | C30 | H29 | 125.8° | 145.0° |
| C28 | C29 | C31 | H29 | 125.5° | 145.0° |
| C28 | C29 | C30 | H301 | 124.7° | 145.0° |
| C28 | C29 | C30 | H302 | 11.5° | 0.0° |
| C28 | C29 | C31 | H311 | 17.1° | 0.0° |
| C28 | C29 | C31 | H312 | 130.4° | 145.1° |
| H281 | C28 | C29 | C30 | 62.4° | 54.8° |
| H281 | C28 | C29 | C31 | 132.6° | 123.4° |
| H281 | C28 | C29 | H29 | 82.4° | 90.9° |
| H282 | C28 | C29 | C30 | 59.1° | 65.2° |
| H282 | C28 | C29 | C31 | 11.1° | 3.4° |
| H282 | C28 | C29 | H29 | 156.1° | 149.1° |
| C30 | C29 | C31 | H29 | 124.9° | 107.5° |
| C29 | C30 | C31 | H301 | 126.7° | 107.5° |
| C29 | C30 | C31 | H302 | 120.0° | 107.5° |
| C29 | C30 | H301 | H302 | 134.0° | 145.7° |
| C30 | C29 | C31 | H311 | 126.7° | 107.5° |
| C30 | C29 | C31 | H312 | 120.0° | 107.4° |
| C29 | C31 | H311 | H312 | 134.0° | 145.7° |
| H29 | C29 | C30 | H301 | 1.1° | 0.0° |
| H29 | C29 | C30 | H302 | 114.3° | 145.0° |
| H29 | C29 | C31 | H311 | 108.4° | 145.0° |
| H29 | C29 | C31 | H312 | 4.9° | 0.0° |
| C31 | C30 | H301 | H302 | 134.0° | 145.7° |
| C30 | C31 | H311 | H312 | 134.0° | 145.6° |
| H301 | C30 | C31 | H311 | 106.6° | 145.0° |
| H301 | C30 | C31 | H312 | 6.7° | 0.0° |
| H302 | C30 | C31 | H311 | 6.7° | 0.0° |
| H302 | C30 | C31 | H312 | 120.0° | 145.0° |
| O32 | C33 | C35 | O34 | 153.6° | 179.9° |
| O32 | C33 | C35 | N36 | 26.4° | 0.0° |
| C33 | C35 | O34 | N36 | 180.0° | 180.0° |
| C33 | C35 | N36 | C37 | 171.0° | 180.0° |
| C33 | C35 | N36 | H36 | 8.9° | 0.0° |
| O34 | C35 | N36 | C37 | 8.9° | 0.0° |
| O34 | C35 | N36 | H36 | 171.1° | 179.9° |
| C35 | N36 | C37 | H36 | 180.0° | 180.0° |
| C35 | N36 | C37 | C38 | 87.7° | 179.9° |
| C35 | N36 | C37 | H371 | 154.2° | 60.0° |
| C35 | N36 | C37 | H372 | 32.3° | 60.0° |
| N36 | C37 | C38 | H371 | 118.1° | 119.9° |
| N36 | C37 | C38 | H372 | 120.0° | 120.0° |
| N36 | C37 | H371 | H372 | 118.8° | 120.0° |
| N36 | C37 | C38 | O39 | 9.1° | 0.1° |
| N36 | C37 | C38 | N40 | 171.9° | 180.0° |
| H36 | N36 | C37 | C38 | 92.3° | 0.1° |
| H36 | N36 | C37 | H371 | 25.8° | 120.0° |
| H36 | N36 | C37 | H372 | 147.7° | 120.0° |
| C38 | C37 | H371 | H372 | 118.8° | 120.1° |
| C37 | C38 | O39 | N40 | 178.8° | 179.9° |
| C37 | C38 | N40 | C41 | 179.3° | 180.0° |
| C37 | C38 | N40 | H40 | 0.6° | 0.1° |
| H371 | C37 | C38 | O39 | 127.3° | 120.0° |
| H371 | C37 | C38 | N40 | 53.8° | 60.1° |
| H372 | C37 | C38 | O39 | 110.9° | 119.9° |
| H372 | C37 | C38 | N40 | 68.1° | 60.0° |
| O39 | C38 | N40 | C41 | 1.7° | 0.1° |
| O39 | C38 | N40 | H40 | 178.3° | 179.9° |
| C38 | N40 | C41 | H40 | 180.0° | 180.0° |
| C38 | N40 | C41 | C42 | 78.0° | 155.0° |
| C38 | N40 | C41 | C48 | 161.8° | 85.0° |
| C38 | N40 | C41 | H41 | 37.6° | 35.0° |
| N40 | C41 | C42 | C48 | 119.6° | 120.0° |
| N40 | C41 | C42 | H41 | 116.3° | 120.0° |
| N40 | C41 | C48 | H41 | 116.8° | 120.0° |
| N40 | C41 | C42 | C43 | 42.2° | 39.7° |
| N40 | C41 | C42 | C44 | 140.2° | 140.0° |
| N40 | C41 | C48 | O49 | 25.2° | 180.0° |
| N40 | C41 | C48 | O50 | 154.7° | 0.0° |
| H40 | N40 | C41 | C42 | 102.0° | 25.0° |
| H40 | N40 | C41 | C48 | 18.2° | 95.0° |
| H40 | N40 | C41 | H41 | 142.3° | 145.0° |
| C42 | C41 | C48 | H41 | 116.2° | 120.0° |
| C41 | C42 | C43 | C44 | 177.5° | 179.7° |
| C41 | C42 | C43 | C45 | 177.7° | 179.8° |
| C41 | C42 | C43 | H43 | 2.3° | 0.2° |
| C41 | C42 | C44 | C46 | 177.8° | 180.0° |
| C41 | C42 | C44 | H44 | 2.2° | 0.1° |
| C42 | C41 | C48 | O49 | 101.8° | 60.0° |
| C42 | C41 | C48 | O50 | 78.3° | 120.1° |
| C48 | C41 | C42 | C43 | 77.4° | 80.3° |
| C48 | C41 | C42 | C44 | 100.1° | 100.0° |
| C41 | C48 | O49 | O50 | 179.9° | 180.0° |
| C41 | C48 | O49 | H49 | 179.9° | 180.0° |
| H41 | C41 | C42 | C43 | 158.5° | 159.7° |
| H41 | C41 | C42 | C44 | 24.0° | 20.0° |
| H41 | C41 | C48 | O49 | 142.0° | 60.0° |
| H41 | C41 | C48 | O50 | 37.9° | 119.9° |
| C42 | C43 | C45 | H43 | 180.0° | 179.6° |
| C43 | C42 | C44 | C46 | 0.2° | 0.3° |
| C43 | C42 | C44 | H44 | 179.7° | 179.7° |
| C42 | C43 | C45 | C47 | 0.4° | 0.4° |
| C42 | C43 | C45 | H45 | 179.7° | 179.7° |
| C44 | C42 | C43 | C45 | 0.2° | 0.5° |
| C44 | C42 | C43 | H43 | 179.8° | 179.9° |
| C42 | C44 | C46 | H44 | 180.0° | 180.0° |
| C42 | C44 | C46 | C47 | 0.4° | 0.0° |
| C42 | C44 | C46 | H46 | 179.6° | 179.9° |
| C43 | C45 | C47 | H45 | 180.0° | 179.8° |
| C43 | C45 | C47 | C46 | 0.6° | 0.1° |
| C43 | C45 | C47 | H47 | 179.4° | 179.8° |
| H43 | C43 | C45 | C47 | 179.7° | 180.0° |
| H43 | C43 | C45 | H45 | 0.3° | 0.2° |
| C44 | C46 | C47 | C45 | 0.6° | 0.1° |
| C44 | C46 | C47 | H46 | 180.0° | 179.9° |
| C44 | C46 | C47 | H47 | 179.4° | 179.9° |
| H44 | C44 | C46 | C47 | 179.6° | 180.0° |
| H44 | C44 | C46 | H46 | 0.4° | 0.1° |
| C45 | C47 | C46 | H47 | 180.0° | 180.0° |
| C45 | C47 | C46 | H46 | 179.4° | 180.0° |
| H45 | C45 | C47 | C46 | 179.5° | 180.0° |
| H45 | C45 | C47 | H47 | 0.5° | 0.0° |
| H46 | C46 | C47 | H47 | 0.6° | 0.0° |
| O50 | C48 | O49 | H49 | 0.0° | 0.1° |
