AXD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.47Å | 1.49Å | |
| N1 | C17 | sing | 1.43Å | 1.46Å | |
| N1 | HN1 | sing | 1.03Å | 1.00Å | |
| C2 | C7 | sing | 1.54Å | 1.57Å | |
| C2 | C3 | sing | 1.54Å | 1.54Å | |
| C2 | C26 | sing | 1.54Å | 1.57Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H31 | sing | 1.10Å | 1.10Å | |
| C3 | H32 | sing | 1.10Å | 1.10Å | |
| C4 | N5 | sing | 1.47Å | 1.52Å | |
| C4 | H41 | sing | 1.10Å | 1.10Å | |
| C4 | H42 | sing | 1.10Å | 1.10Å | |
| N5 | C18 | sing | 1.40Å | 1.40Å | |
| N5 | C6 | sing | 1.47Å | 1.50Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | H61 | sing | 1.10Å | 1.10Å | |
| C6 | H62 | sing | 1.10Å | 1.10Å | |
| C7 | H71 | sing | 1.10Å | 1.10Å | |
| C7 | H72 | sing | 1.10Å | 1.10Å | |
| C8 | C24 | sing | 1.47Å | 1.49Å | |
| C8 | N9 | sing | 1.47Å | 1.49Å | |
| C8 | C12 | sing | 1.53Å | 1.54Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| N9 | C10 | sing | 1.47Å | 1.47Å | |
| N9 | C15 | sing | 1.39Å | 1.38Å | |
| C10 | C13 | sing | 1.52Å | 1.56Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | H10 | sing | 1.10Å | 1.10Å | |
| C11 | C12 | sing | 1.52Å | 1.52Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.10Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.10Å | 1.10Å | |
| C13 | N14 | sing | 1.42Å | 1.34Å | |
| C13 | H131 | sing | 1.08Å | 1.10Å | |
| C13 | H132 | sing | 1.08Å | 1.10Å | |
| N14 | H141 | sing | 1.01Å | 1.00Å | |
| N14 | H142 | sing | 1.01Å | 1.00Å | |
| C15 | O16 | doub | 1.23Å | 1.22Å | |
| C15 | C17 | sing | 1.51Å | 1.55Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | N23 | doub | 1.37Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.41Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | H19 | sing | 1.09Å | 1.08Å | |
| C20 | C21 | sing | 1.39Å | 1.43Å | Aromatic |
| C20 | C27 | sing | 1.45Å | 1.47Å | |
| C21 | C22 | doub | 1.39Å | 1.42Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | N23 | sing | 1.35Å | 1.38Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | trip | 1.20Å | 1.20Å | |
| C25 | H25 | sing | 1.06Å | 1.06Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C27 | O29 | doub | 1.24Å | 1.24Å | |
| C27 | O28 | sing | 1.36Å | 1.26Å | |
| O28 | HO28 | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C17 | 120.5° | 111.9° |
| C2 | N1 | HN1 | 106.0° | 108.1° |
| N1 | C2 | C7 | 112.0° | 109.6° |
| N1 | C2 | C3 | 108.0° | 109.7° |
| N1 | C2 | C26 | 108.9° | 108.5° |
| C17 | N1 | HN1 | 105.9° | 110.5° |
| N1 | C17 | C15 | 113.9° | 107.0° |
| N1 | C17 | H171 | 108.0° | 111.3° |
| N1 | C17 | H172 | 107.0° | 111.3° |
| C7 | C2 | C3 | 108.2° | 108.7° |
| C7 | C2 | C26 | 110.5° | 110.1° |
| C2 | C7 | C6 | 113.1° | 113.0° |
| C2 | C7 | H71 | 108.3° | 108.9° |
| C2 | C7 | H72 | 107.4° | 110.6° |
| C3 | C2 | C26 | 109.2° | 110.1° |
| C2 | C3 | C4 | 110.6° | 112.9° |
| C2 | C3 | H31 | 109.1° | 110.6° |
| C2 | C3 | H32 | 108.9° | 109.0° |
| C2 | C26 | H261 | 109.5° | 110.6° |
| C2 | C26 | H262 | 109.5° | 110.6° |
| C2 | C26 | H263 | 109.4° | 110.6° |
| C4 | C3 | H31 | 109.1° | 109.3° |
| C4 | C3 | H32 | 108.8° | 108.5° |
| C3 | C4 | N5 | 111.3° | 110.6° |
| C3 | C4 | H41 | 108.9° | 108.3° |
| C3 | C4 | H42 | 108.4° | 110.9° |
| H31 | C3 | H32 | 110.3° | 106.3° |
| N5 | C4 | H41 | 108.8° | 110.1° |
| N5 | C4 | H42 | 108.5° | 109.7° |
| C4 | N5 | C18 | 122.0° | 117.5° |
| C4 | N5 | C6 | 116.7° | 116.6° |
| H41 | C4 | H42 | 110.9° | 107.2° |
| C18 | N5 | C6 | 121.3° | 119.4° |
| N5 | C18 | N23 | 119.1° | 119.9° |
| N5 | C18 | C19 | 120.9° | 118.5° |
| N5 | C6 | C7 | 108.8° | 110.6° |
| N5 | C6 | H61 | 109.7° | 109.6° |
| N5 | C6 | H62 | 109.9° | 110.0° |
| C7 | C6 | H61 | 109.7° | 110.9° |
| C7 | C6 | H62 | 109.9° | 108.5° |
| C6 | C7 | H71 | 108.3° | 108.5° |
| C6 | C7 | H72 | 107.5° | 109.3° |
| H61 | C6 | H62 | 108.9° | 107.2° |
| H71 | C7 | H72 | 112.3° | 106.3° |
| C24 | C8 | N9 | 112.0° | 110.9° |
| C24 | C8 | C12 | 106.1° | 111.7° |
| C24 | C8 | H8 | 108.2° | 109.8° |
| C8 | C24 | C25 | 175.2° | 180.0° |
| N9 | C8 | C12 | 103.3° | 103.5° |
| N9 | C8 | H8 | 110.9° | 110.0° |
| C8 | N9 | C10 | 111.4° | 111.1° |
| C8 | N9 | C15 | 127.5° | 126.1° |
| C12 | C8 | H8 | 116.2° | 110.9° |
| C8 | C12 | C11 | 102.8° | 103.3° |
| C8 | C12 | H121 | 111.8° | 114.0° |
| C8 | C12 | H122 | 113.2° | 109.7° |
| C10 | N9 | C15 | 121.1° | 122.1° |
| N9 | C10 | C13 | 114.5° | 113.5° |
| N9 | C10 | C11 | 100.4° | 104.8° |
| N9 | C10 | H10 | 112.4° | 107.3° |
| N9 | C15 | O16 | 123.5° | 124.2° |
| N9 | C15 | C17 | 118.6° | 116.1° |
| C13 | C10 | C11 | 109.7° | 111.1° |
| C13 | C10 | H10 | 103.4° | 109.4° |
| C10 | C13 | N14 | 122.1° | 109.9° |
| C10 | C13 | H131 | 105.4° | 108.8° |
| C10 | C13 | H132 | 102.5° | 109.0° |
| C11 | C10 | H10 | 116.9° | 110.7° |
| C10 | C11 | C12 | 102.5° | 103.6° |
| C10 | C11 | H111 | 111.8° | 112.2° |
| C10 | C11 | H112 | 113.3° | 111.0° |
| C12 | C11 | H111 | 111.9° | 112.5° |
| C12 | C11 | H112 | 113.3° | 109.7° |
| C11 | C12 | H121 | 111.8° | 112.6° |
| C11 | C12 | H122 | 113.2° | 108.9° |
| H111 | C11 | H112 | 104.3° | 107.8° |
| H121 | C12 | H122 | 104.5° | 108.2° |
| N14 | C13 | H131 | 105.5° | 109.3° |
| N14 | C13 | H132 | 102.5° | 109.2° |
| C13 | N14 | H141 | 109.5° | 119.8° |
| C13 | N14 | H142 | 109.5° | 119.8° |
| H131 | C13 | H132 | 120.0° | 110.6° |
| H141 | N14 | H142 | 109.5° | 119.0° |
| O16 | C15 | C17 | 117.9° | 119.7° |
| C15 | C17 | H171 | 108.0° | 108.2° |
| C15 | C17 | H172 | 107.0° | 108.1° |
| H171 | C17 | H172 | 113.0° | 110.7° |
| N23 | C18 | C19 | 120.0° | 121.6° |
| C18 | N23 | C22 | 120.1° | 117.6° |
| C18 | C19 | C20 | 120.5° | 119.1° |
| C18 | C19 | H19 | 119.7° | 120.1° |
| C20 | C19 | H19 | 119.7° | 120.8° |
| C19 | C20 | C21 | 119.5° | 119.7° |
| C19 | C20 | C27 | 118.2° | 120.1° |
| C21 | C20 | C27 | 122.3° | 120.1° |
| C20 | C21 | C22 | 118.0° | 117.9° |
| C20 | C21 | H21 | 121.0° | 121.7° |
| C20 | C27 | O29 | 119.4° | 125.4° |
| C20 | C27 | O28 | 118.9° | 112.5° |
| C22 | C21 | H21 | 121.0° | 120.4° |
| C21 | C22 | N23 | 121.9° | 124.0° |
| C21 | C22 | H22 | 119.0° | 120.8° |
| N23 | C22 | H22 | 119.0° | 115.2° |
| C24 | C25 | H25 | 180.0° | 179.9° |
| H261 | C26 | H262 | 109.5° | 108.4° |
| H261 | C26 | H263 | 109.4° | 108.3° |
| H262 | C26 | H263 | 109.5° | 108.3° |
| O29 | C27 | O28 | 121.7° | 122.1° |
| C27 | O28 | HO28 | 109.5° | 113.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C17 | HN1 | 120.0° | 120.5° |
| N1 | C2 | C7 | C3 | 118.9° | 119.9° |
| N1 | C2 | C7 | C26 | 121.6° | 119.4° |
| N1 | C2 | C3 | C26 | 118.2° | 119.4° |
| N1 | C2 | C3 | C4 | 178.9° | 66.1° |
| N1 | C2 | C3 | H31 | 58.9° | 56.6° |
| N1 | C2 | C3 | H32 | 61.6° | 173.2° |
| N1 | C2 | C7 | C6 | 178.1° | 66.2° |
| N1 | C2 | C7 | H71 | 61.9° | 173.1° |
| N1 | C2 | C7 | H72 | 59.7° | 56.6° |
| C2 | N1 | C17 | C15 | 91.2° | 179.5° |
| C2 | N1 | C17 | H171 | 28.8° | 62.5° |
| C2 | N1 | C17 | H172 | 150.7° | 61.6° |
| N1 | C2 | C26 | H261 | 44.7° | 30.7° |
| N1 | C2 | C26 | H262 | 164.7° | 89.3° |
| N1 | C2 | C26 | H263 | 75.2° | 150.7° |
| C17 | N1 | C2 | C7 | 61.2° | 178.8° |
| C17 | N1 | C2 | C3 | 179.8° | 61.9° |
| C17 | N1 | C2 | C26 | 61.4° | 58.5° |
| N1 | C17 | C15 | N9 | 162.9° | 179.5° |
| N1 | C17 | C15 | O16 | 18.7° | 0.0° |
| N1 | C17 | C15 | H171 | 120.0° | 120.0° |
| N1 | C17 | C15 | H172 | 118.1° | 120.0° |
| N1 | C17 | H171 | H172 | 118.2° | 124.3° |
| HN1 | N1 | C2 | C7 | 58.8° | 59.3° |
| HN1 | N1 | C2 | C3 | 60.2° | 60.0° |
| HN1 | N1 | C2 | C26 | 178.6° | 179.6° |
| HN1 | N1 | C17 | C15 | 28.8° | 60.0° |
| HN1 | N1 | C17 | H171 | 148.8° | 58.0° |
| HN1 | N1 | C17 | H172 | 89.3° | 178.0° |
| C7 | C2 | C3 | C26 | 120.4° | 120.7° |
| C7 | C2 | C3 | C4 | 57.5° | 53.7° |
| C7 | C2 | C3 | H31 | 62.5° | 176.5° |
| C7 | C2 | C3 | H32 | 177.0° | 67.0° |
| C2 | C7 | C6 | N5 | 54.2° | 52.7° |
| C2 | C7 | C6 | H71 | 120.0° | 120.9° |
| C2 | C7 | C6 | H72 | 118.4° | 123.6° |
| C2 | C7 | C6 | H61 | 65.8° | 69.1° |
| C2 | C7 | C6 | H62 | 174.5° | 173.4° |
| C2 | C7 | H71 | H72 | 118.5° | 119.2° |
| C7 | C2 | C26 | H261 | 168.1° | 89.3° |
| C7 | C2 | C26 | H262 | 71.9° | 150.6° |
| C7 | C2 | C26 | H263 | 48.2° | 30.6° |
| C2 | C3 | C4 | H31 | 120.0° | 123.5° |
| C2 | C3 | C4 | H32 | 119.6° | 121.0° |
| C2 | C3 | H31 | H32 | 119.6° | 118.2° |
| C2 | C3 | C4 | N5 | 54.1° | 52.9° |
| C2 | C3 | C4 | H41 | 174.1° | 173.6° |
| C2 | C3 | C4 | H42 | 65.1° | 69.0° |
| C3 | C2 | C7 | C6 | 59.2° | 53.7° |
| C3 | C2 | C7 | H71 | 179.2° | 67.0° |
| C3 | C2 | C7 | H72 | 59.2° | 176.5° |
| C3 | C2 | C26 | H261 | 73.0° | 150.9° |
| C3 | C2 | C26 | H262 | 47.1° | 30.8° |
| C3 | C2 | C26 | H263 | 167.1° | 89.2° |
| C26 | C2 | C3 | C4 | 62.9° | 174.4° |
| C26 | C2 | C3 | H31 | 177.1° | 62.8° |
| C26 | C2 | C3 | H32 | 56.6° | 53.7° |
| C26 | C2 | C7 | C6 | 60.3° | 174.4° |
| C26 | C2 | C7 | H71 | 59.7° | 53.7° |
| C26 | C2 | C7 | H72 | 178.8° | 62.8° |
| C2 | C26 | H261 | H262 | 120.0° | 121.4° |
| C2 | C26 | H261 | H263 | 120.0° | 121.3° |
| C2 | C26 | H262 | H263 | 120.0° | 121.3° |
| C4 | C3 | H31 | H32 | 119.5° | 117.0° |
| C3 | C4 | N5 | H41 | 120.0° | 119.7° |
| C3 | C4 | N5 | H42 | 119.2° | 122.6° |
| C3 | C4 | H41 | H42 | 119.3° | 119.7° |
| C3 | C4 | N5 | C18 | 128.0° | 155.8° |
| C3 | C4 | N5 | C6 | 51.9° | 52.8° |
| H31 | C3 | C4 | N5 | 65.9° | 176.4° |
| H31 | C3 | C4 | H41 | 54.1° | 62.9° |
| H31 | C3 | C4 | H42 | 174.9° | 54.5° |
| H32 | C3 | C4 | N5 | 173.7° | 68.1° |
| H32 | C3 | C4 | H41 | 66.3° | 52.7° |
| H32 | C3 | C4 | H42 | 54.4° | 170.0° |
| N5 | C4 | H41 | H42 | 119.2° | 119.2° |
| C4 | N5 | C18 | C6 | 179.9° | 150.6° |
| C4 | N5 | C6 | C7 | 50.9° | 52.7° |
| C4 | N5 | C6 | H61 | 69.1° | 69.8° |
| C4 | N5 | C6 | H62 | 171.2° | 172.5° |
| C4 | N5 | C18 | N23 | 179.8° | 30.0° |
| C4 | N5 | C18 | C19 | 0.3° | 150.0° |
| H41 | C4 | N5 | C18 | 8.0° | 36.1° |
| H41 | C4 | N5 | C6 | 171.9° | 172.5° |
| H42 | C4 | N5 | C18 | 112.8° | 81.6° |
| H42 | C4 | N5 | C6 | 67.3° | 69.8° |
| C18 | N5 | C6 | C7 | 129.0° | 156.5° |
| C18 | N5 | C6 | H61 | 111.0° | 81.0° |
| C18 | N5 | C6 | H62 | 8.7° | 36.7° |
| N5 | C18 | N23 | C19 | 179.5° | 180.0° |
| N5 | C18 | C19 | C20 | 179.9° | 180.0° |
| N5 | C18 | C19 | H19 | 0.1° | 0.0° |
| N5 | C18 | N23 | C22 | 179.8° | 180.0° |
| N5 | C6 | C7 | H61 | 120.0° | 121.8° |
| N5 | C6 | C7 | H62 | 120.3° | 120.7° |
| N5 | C6 | H61 | H62 | 120.3° | 119.4° |
| N5 | C6 | C7 | H71 | 174.2° | 68.3° |
| N5 | C6 | C7 | H72 | 64.2° | 176.2° |
| C6 | N5 | C18 | N23 | 0.3° | 120.6° |
| C6 | N5 | C18 | C19 | 179.7° | 59.4° |
| C7 | C6 | H61 | H62 | 120.3° | 118.3° |
| C6 | C7 | H71 | H72 | 118.5° | 117.4° |
| H61 | C6 | C7 | H71 | 54.2° | 170.0° |
| H61 | C6 | C7 | H72 | 175.8° | 54.5° |
| H62 | C6 | C7 | H71 | 65.5° | 52.5° |
| H62 | C6 | C7 | H72 | 56.1° | 63.0° |
| C24 | C8 | N9 | C12 | 113.8° | 119.8° |
| C24 | C8 | N9 | H8 | 121.0° | 121.6° |
| C24 | C8 | C12 | H8 | 120.4° | 122.8° |
| C24 | C8 | N9 | C10 | 111.9° | 100.8° |
| C24 | C8 | N9 | C15 | 70.2° | 88.9° |
| C24 | C8 | C12 | C11 | 142.8° | 85.2° |
| C24 | C8 | C12 | H121 | 22.8° | 37.2° |
| C24 | C8 | C12 | H122 | 94.8° | 158.7° |
| C8 | C24 | C25 | H25 | 65.4° | 141.5° |
| N9 | C8 | C12 | H8 | 121.7° | 118.0° |
| C8 | N9 | C10 | C15 | 178.1° | 170.8° |
| C8 | N9 | C10 | C13 | 90.0° | 125.1° |
| C8 | N9 | C10 | C11 | 27.4° | 3.7° |
| C8 | N9 | C10 | H10 | 152.3° | 114.0° |
| N9 | C8 | C12 | C11 | 24.8° | 34.0° |
| N9 | C8 | C12 | H121 | 95.1° | 156.5° |
| N9 | C8 | C12 | H122 | 147.3° | 82.0° |
| C8 | N9 | C15 | O16 | 178.8° | 180.0° |
| C8 | N9 | C15 | C17 | 2.9° | 0.5° |
| N9 | C8 | C24 | C25 | 29.9° | 90.3° |
| C12 | C8 | N9 | C10 | 1.9° | 19.0° |
| C12 | C8 | N9 | C15 | 176.0° | 151.3° |
| C8 | C12 | C11 | C10 | 42.0° | 36.5° |
| C8 | C12 | C11 | H121 | 120.0° | 123.4° |
| C8 | C12 | C11 | H122 | 122.4° | 116.6° |
| C8 | C12 | C11 | H111 | 162.0° | 157.9° |
| C8 | C12 | C11 | H112 | 80.5° | 82.1° |
| C8 | C12 | H121 | H122 | 122.7° | 122.4° |
| C12 | C8 | C24 | C25 | 82.1° | 154.9° |
| H8 | C8 | N9 | C10 | 127.1° | 137.6° |
| H8 | C8 | N9 | C15 | 50.8° | 32.7° |
| H8 | C8 | C12 | C11 | 96.8° | 152.0° |
| H8 | C8 | C12 | H121 | 143.2° | 85.5° |
| H8 | C8 | C12 | H122 | 25.6° | 36.0° |
| H8 | C8 | C24 | C25 | 152.4° | 31.5° |
| N9 | C10 | C13 | C11 | 112.0° | 117.8° |
| N9 | C10 | C13 | H10 | 122.6° | 119.8° |
| N9 | C10 | C11 | H10 | 121.8° | 115.3° |
| N9 | C10 | C11 | C12 | 42.2° | 25.0° |
| N9 | C10 | C11 | H111 | 162.2° | 146.6° |
| N9 | C10 | C11 | H112 | 80.3° | 92.7° |
| N9 | C10 | C13 | N14 | 4.7° | 178.1° |
| N9 | C10 | C13 | H131 | 115.3° | 62.3° |
| N9 | C10 | C13 | H132 | 118.4° | 58.4° |
| C10 | N9 | C15 | O16 | 3.5° | 10.7° |
| C10 | N9 | C15 | C17 | 174.9° | 168.8° |
| C15 | N9 | C10 | C13 | 91.9° | 64.2° |
| C15 | N9 | C10 | C11 | 150.7° | 174.5° |
| C15 | N9 | C10 | H10 | 25.7° | 56.8° |
| N9 | C15 | O16 | C17 | 178.4° | 179.5° |
| N9 | C15 | C17 | H171 | 42.9° | 59.5° |
| N9 | C15 | C17 | H172 | 79.1° | 60.5° |
| C13 | C10 | C11 | H10 | 117.3° | 121.7° |
| C13 | C10 | C11 | C12 | 78.7° | 148.0° |
| C13 | C10 | C11 | H111 | 41.3° | 90.4° |
| C13 | C10 | C11 | H112 | 158.8° | 30.3° |
| C10 | C13 | N14 | H131 | 120.0° | 119.4° |
| C10 | C13 | N14 | H132 | 113.6° | 119.6° |
| C10 | C13 | H131 | H132 | 114.8° | 119.7° |
| C10 | C13 | N14 | H141 | 168.6° | 65.7° |
| C10 | C13 | N14 | H142 | 71.4° | 100.8° |
| C10 | C11 | C12 | H111 | 120.0° | 121.4° |
| C10 | C11 | C12 | H112 | 122.5° | 118.6° |
| C10 | C11 | H111 | H112 | 122.8° | 122.5° |
| C10 | C11 | C12 | H121 | 78.0° | 159.9° |
| C10 | C11 | C12 | H122 | 164.4° | 80.1° |
| C11 | C10 | C13 | N14 | 116.7° | 60.3° |
| C11 | C10 | C13 | H131 | 3.3° | 180.0° |
| C11 | C10 | C13 | H132 | 129.7° | 59.4° |
| H10 | C10 | C11 | C12 | 164.0° | 90.3° |
| H10 | C10 | C11 | H111 | 76.0° | 31.3° |
| H10 | C10 | C11 | H112 | 41.5° | 152.0° |
| H10 | C10 | C13 | N14 | 117.9° | 62.1° |
| H10 | C10 | C13 | H131 | 122.1° | 57.5° |
| H10 | C10 | C13 | H132 | 4.2° | 178.2° |
| C12 | C11 | H111 | H112 | 122.8° | 121.1° |
| C11 | C12 | H121 | H122 | 122.7° | 120.4° |
| H111 | C11 | C12 | H121 | 42.0° | 78.7° |
| H111 | C11 | C12 | H122 | 75.6° | 41.3° |
| H112 | C11 | C12 | H121 | 159.5° | 41.3° |
| H112 | C11 | C12 | H122 | 41.9° | 161.2° |
| N14 | C13 | H131 | H132 | 114.8° | 120.3° |
| C13 | N14 | H141 | H142 | 120.0° | 166.6° |
| H131 | C13 | N14 | H141 | 71.5° | 174.9° |
| H131 | C13 | N14 | H142 | 48.6° | 18.6° |
| H132 | C13 | N14 | H141 | 54.9° | 53.8° |
| H132 | C13 | N14 | H142 | 174.9° | 139.6° |
| O16 | C15 | C17 | H171 | 138.7° | 120.0° |
| O16 | C15 | C17 | H172 | 99.4° | 120.0° |
| C15 | C17 | H171 | H172 | 118.2° | 118.4° |
| N23 | C18 | C19 | C20 | 0.6° | 0.0° |
| N23 | C18 | C19 | H19 | 179.4° | 180.0° |
| C18 | N23 | C22 | C21 | 0.5° | 0.1° |
| C18 | N23 | C22 | H22 | 179.5° | 180.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.2° | 0.0° |
| C18 | C19 | C20 | C27 | 179.7° | 180.0° |
| C19 | C18 | N23 | C22 | 0.8° | 0.0° |
| C19 | C20 | C21 | C27 | 179.4° | 180.0° |
| C19 | C20 | C21 | C22 | 0.0° | 0.0° |
| C19 | C20 | C21 | H21 | 180.0° | 180.0° |
| C19 | C20 | C27 | O29 | 179.6° | 0.0° |
| C19 | C20 | C27 | O28 | 0.5° | 179.9° |
| H19 | C19 | C20 | C21 | 179.8° | 180.0° |
| H19 | C19 | C20 | C27 | 0.3° | 0.0° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | N23 | 0.1° | 0.0° |
| C20 | C21 | C22 | H22 | 179.9° | 179.9° |
| C21 | C20 | C27 | O29 | 1.0° | 180.0° |
| C21 | C20 | C27 | O28 | 178.9° | 0.1° |
| C27 | C20 | C21 | C22 | 179.4° | 180.0° |
| C27 | C20 | C21 | H21 | 0.6° | 0.0° |
| C20 | C27 | O29 | O28 | 179.9° | 179.9° |
| C20 | C27 | O28 | HO28 | 179.8° | 180.0° |
| C21 | C22 | N23 | H22 | 180.0° | 179.9° |
| H21 | C21 | C22 | N23 | 179.9° | 179.9° |
| H21 | C21 | C22 | H22 | 0.1° | 0.0° |
| H261 | C26 | H262 | H263 | 120.0° | 117.3° |
| O29 | C27 | O28 | HO28 | 0.0° | 0.0° |
