3QW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C27 | N26 | sing | 1.47Å | 1.49Å | |
| O32 | C33 | sing | 1.43Å | 1.43Å | |
| O32 | C29 | sing | 1.43Å | 1.43Å | |
| C29 | C30 | sing | 1.53Å | 1.55Å | |
| N23 | C22 | doub | 1.32Å | 1.33Å | Aromatic |
| N23 | C24 | sing | 1.33Å | 1.34Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| N26 | C24 | sing | 1.38Å | 1.40Å | |
| N26 | C31 | sing | 1.47Å | 1.49Å | |
| C24 | N25 | doub | 1.32Å | 1.34Å | Aromatic |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | doub | 1.40Å | 1.41Å | Aromatic |
| N25 | C20 | sing | 1.33Å | 1.34Å | Aromatic |
| C20 | N19 | sing | 1.39Å | 1.40Å | |
| N19 | C7 | sing | 1.39Å | 1.40Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | N8 | sing | 1.33Å | 1.33Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | N4 | sing | 1.47Å | 1.48Å | |
| N8 | C9 | doub | 1.32Å | 1.32Å | Aromatic |
| C5 | N4 | sing | 1.37Å | 1.39Å | Aromatic |
| C5 | C10 | doub | 1.41Å | 1.42Å | Aromatic |
| N4 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.46Å | 1.46Å | Aromatic |
| C12 | C11 | doub | 1.36Å | 1.36Å | Aromatic |
| C12 | C13 | sing | 1.48Å | 1.49Å | |
| C18 | C13 | sing | 1.41Å | 1.42Å | Aromatic |
| C18 | N17 | doub | 1.31Å | 1.31Å | Aromatic |
| C13 | C14 | doub | 1.37Å | 1.37Å | Aromatic |
| N17 | N15 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | N15 | sing | 1.35Å | 1.35Å | Aromatic |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| N15 | H12 | sing | 0.97Å | 1.00Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| N19 | H14 | sing | 0.97Å | 1.00Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| C22 | H16 | sing | 1.08Å | 1.08Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C27 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| C33 | H26 | sing | 1.09Å | 1.10Å | |
| C33 | H27 | sing | 1.09Å | 1.10Å | |
| C33 | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C28 | C29 | 109.0° | 109.3° |
| C28 | C27 | N26 | 112.7° | 109.5° |
| C28 | C27 | H17 | 108.7° | 109.5° |
| C28 | C27 | H18 | 108.7° | 109.4° |
| C27 | C28 | H19 | 109.6° | 109.5° |
| C27 | C28 | H20 | 109.6° | 109.5° |
| C28 | C29 | O32 | 107.0° | 109.5° |
| C28 | C29 | C30 | 109.4° | 109.2° |
| C29 | C28 | H19 | 109.6° | 109.5° |
| C29 | C28 | H20 | 109.6° | 109.5° |
| C28 | C29 | H21 | 109.7° | 109.5° |
| C27 | N26 | C24 | 112.1° | 111.0° |
| C27 | N26 | C31 | 115.1° | 111.2° |
| N26 | C27 | H17 | 108.7° | 109.5° |
| N26 | C27 | H18 | 108.7° | 109.4° |
| C33 | O32 | C29 | 116.5° | 114.0° |
| O32 | C33 | H26 | 109.5° | 109.4° |
| O32 | C33 | H27 | 109.4° | 109.4° |
| O32 | C33 | H28 | 109.4° | 109.5° |
| O32 | C29 | C30 | 110.0° | 109.6° |
| O32 | C29 | H21 | 111.2° | 109.6° |
| C29 | C30 | C31 | 111.8° | 109.3° |
| C30 | C29 | H21 | 109.6° | 109.5° |
| C29 | C30 | H22 | 108.9° | 109.5° |
| C29 | C30 | H23 | 108.9° | 109.5° |
| C22 | N23 | C24 | 122.0° | 120.9° |
| N23 | C22 | C21 | 119.0° | 119.3° |
| N23 | C22 | H16 | 120.5° | 120.3° |
| N23 | C24 | N26 | 120.3° | 119.1° |
| N23 | C24 | N25 | 120.2° | 121.7° |
| C22 | C21 | C20 | 118.6° | 118.5° |
| C22 | C21 | H15 | 120.7° | 120.8° |
| C21 | C22 | H16 | 120.5° | 120.3° |
| C24 | N26 | C31 | 111.7° | 111.0° |
| N26 | C24 | N25 | 119.6° | 119.2° |
| N26 | C31 | C30 | 112.5° | 109.5° |
| N26 | C31 | H24 | 108.7° | 109.5° |
| N26 | C31 | H25 | 108.7° | 109.5° |
| C24 | N25 | C20 | 121.5° | 120.6° |
| C31 | C30 | H22 | 108.9° | 109.5° |
| C31 | C30 | H23 | 108.9° | 109.5° |
| C30 | C31 | H24 | 108.7° | 109.4° |
| C30 | C31 | H25 | 108.7° | 109.4° |
| C21 | C20 | N25 | 118.8° | 119.0° |
| C21 | C20 | N19 | 118.7° | 120.5° |
| C20 | C21 | H15 | 120.7° | 120.7° |
| N25 | C20 | N19 | 122.5° | 120.5° |
| C20 | N19 | C7 | 128.5° | 120.0° |
| C20 | N19 | H14 | 115.8° | 120.0° |
| N19 | C7 | C6 | 123.0° | 119.3° |
| N19 | C7 | N8 | 116.8° | 119.3° |
| C7 | N19 | H14 | 115.8° | 120.0° |
| C3 | C2 | C1 | 112.4° | 109.4° |
| C3 | C2 | N4 | 113.3° | 109.5° |
| C2 | C3 | H5 | 109.5° | 109.4° |
| C2 | C3 | H6 | 109.5° | 109.4° |
| C2 | C3 | H7 | 109.5° | 109.5° |
| C3 | C2 | H11 | 105.1° | 109.5° |
| C6 | C7 | N8 | 120.2° | 121.4° |
| C7 | C6 | C5 | 119.8° | 118.9° |
| C7 | C6 | H2 | 120.1° | 120.6° |
| C7 | N8 | C9 | 122.7° | 122.1° |
| C6 | C5 | N4 | 134.9° | 134.4° |
| C6 | C5 | C10 | 117.8° | 118.2° |
| C5 | C6 | H2 | 120.1° | 120.5° |
| C1 | C2 | N4 | 114.3° | 109.5° |
| C2 | C1 | H8 | 109.5° | 109.5° |
| C2 | C1 | H9 | 109.5° | 109.4° |
| C2 | C1 | H10 | 109.4° | 109.5° |
| C1 | C2 | H11 | 105.0° | 109.5° |
| C2 | N4 | C5 | 125.1° | 125.1° |
| C2 | N4 | C12 | 125.6° | 125.1° |
| N4 | C2 | H11 | 105.6° | 109.5° |
| N8 | C9 | C10 | 120.7° | 120.2° |
| N8 | C9 | H4 | 119.7° | 119.9° |
| N4 | C5 | C10 | 107.3° | 107.5° |
| C5 | N4 | C12 | 109.3° | 109.9° |
| C5 | C10 | C9 | 118.9° | 119.3° |
| C5 | C10 | C11 | 106.7° | 106.2° |
| N4 | C12 | C11 | 109.5° | 109.6° |
| N4 | C12 | C13 | 128.3° | 125.2° |
| C9 | C10 | C11 | 134.4° | 134.6° |
| C10 | C9 | H4 | 119.7° | 119.9° |
| C10 | C11 | C12 | 107.3° | 106.9° |
| C10 | C11 | H3 | 126.4° | 126.5° |
| C11 | C12 | C13 | 122.1° | 125.2° |
| C12 | C11 | H3 | 126.4° | 126.5° |
| C12 | C13 | C18 | 127.6° | 126.3° |
| C12 | C13 | C14 | 125.8° | 126.2° |
| C13 | C18 | N17 | 109.2° | 108.1° |
| C18 | C13 | C14 | 106.4° | 107.5° |
| C13 | C18 | H13 | 125.4° | 125.9° |
| C18 | N17 | N15 | 107.8° | 108.6° |
| N17 | C18 | H13 | 125.4° | 126.0° |
| C13 | C14 | N15 | 108.1° | 107.6° |
| C13 | C14 | H1 | 125.9° | 126.2° |
| N17 | N15 | C14 | 108.5° | 108.3° |
| N17 | N15 | H12 | 125.7° | 125.9° |
| N15 | C14 | H1 | 125.9° | 126.3° |
| C14 | N15 | H12 | 125.8° | 125.8° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H5 | C3 | H7 | 109.4° | 109.5° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.5° | 109.5° |
| H8 | C1 | H10 | 109.5° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.5° |
| H17 | C27 | H18 | 109.5° | 109.5° |
| H19 | C28 | H20 | 109.5° | 109.5° |
| H22 | C30 | H23 | 109.4° | 109.6° |
| H24 | C31 | H25 | 109.5° | 109.5° |
| H26 | C33 | H27 | 109.5° | 109.5° |
| H26 | C33 | H28 | 109.5° | 109.5° |
| H27 | C33 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C28 | C29 | H19 | 119.9° | 119.9° |
| C27 | C28 | C29 | H20 | 119.9° | 120.0° |
| C28 | C27 | N26 | H17 | 120.5° | 120.1° |
| C28 | C27 | N26 | H18 | 120.5° | 120.0° |
| C27 | C28 | C29 | O32 | 178.3° | 177.6° |
| C27 | C28 | C29 | C30 | 59.2° | 57.6° |
| C28 | C27 | N26 | C24 | 179.5° | 174.2° |
| C28 | C27 | N26 | C31 | 51.4° | 61.7° |
| C28 | C27 | H17 | H18 | 118.5° | 120.0° |
| C27 | C28 | H19 | H20 | 120.2° | 120.0° |
| C27 | C28 | C29 | H21 | 61.0° | 62.2° |
| C29 | C28 | C27 | N26 | 56.7° | 59.1° |
| C28 | C29 | O32 | C33 | 156.5° | 150.0° |
| C28 | C29 | O32 | C30 | 118.7° | 119.7° |
| C28 | C29 | O32 | H21 | 119.8° | 120.2° |
| C28 | C29 | C30 | H21 | 120.3° | 119.9° |
| C28 | C29 | C30 | C31 | 56.7° | 57.6° |
| C29 | C28 | C27 | H17 | 63.8° | 179.2° |
| C29 | C28 | C27 | H18 | 177.2° | 60.8° |
| C29 | C28 | H19 | H20 | 120.2° | 120.1° |
| C28 | C29 | C30 | H22 | 63.7° | 62.3° |
| C28 | C29 | C30 | H23 | 177.0° | 177.6° |
| C27 | N26 | C24 | N23 | 42.3° | 124.2° |
| C27 | N26 | C24 | C31 | 130.8° | 124.3° |
| C27 | N26 | C24 | N25 | 137.2° | 56.0° |
| C27 | N26 | C31 | C30 | 47.2° | 61.7° |
| N26 | C27 | H17 | H18 | 118.6° | 119.9° |
| N26 | C27 | C28 | H19 | 63.2° | 60.8° |
| N26 | C27 | C28 | H20 | 176.7° | 179.1° |
| C27 | N26 | C31 | H24 | 73.2° | 58.3° |
| C27 | N26 | C31 | H25 | 167.7° | 178.3° |
| C33 | O32 | C29 | C30 | 84.8° | 90.2° |
| C33 | O32 | C29 | H21 | 36.7° | 29.9° |
| O32 | C33 | H26 | H27 | 120.0° | 120.0° |
| O32 | C33 | H26 | H28 | 120.0° | 120.0° |
| O32 | C33 | H27 | H28 | 119.9° | 120.0° |
| O32 | C29 | C30 | H21 | 122.5° | 120.2° |
| O32 | C29 | C30 | C31 | 173.9° | 177.6° |
| O32 | C29 | C28 | H19 | 58.4° | 57.7° |
| O32 | C29 | C28 | H20 | 61.8° | 62.5° |
| O32 | C29 | C30 | H22 | 53.6° | 57.7° |
| O32 | C29 | C30 | H23 | 65.7° | 62.5° |
| C29 | O32 | C33 | H26 | 180.0° | 180.0° |
| C29 | O32 | C33 | H27 | 60.0° | 60.0° |
| C29 | O32 | C33 | H28 | 60.0° | 60.0° |
| C29 | C30 | C31 | N26 | 50.0° | 59.1° |
| C29 | C30 | C31 | H22 | 120.4° | 119.9° |
| C29 | C30 | C31 | H23 | 120.3° | 120.0° |
| C30 | C29 | C28 | H19 | 60.7° | 62.3° |
| C30 | C29 | C28 | H20 | 179.1° | 177.6° |
| C29 | C30 | H22 | H23 | 118.9° | 120.1° |
| C29 | C30 | C31 | H24 | 70.5° | 60.9° |
| C29 | C30 | C31 | H25 | 170.4° | 179.2° |
| N23 | C22 | C21 | H16 | 180.0° | 179.9° |
| C22 | N23 | C24 | N26 | 179.9° | 180.0° |
| C22 | N23 | C24 | N25 | 0.6° | 0.2° |
| N23 | C22 | C21 | C20 | 0.0° | 0.1° |
| N23 | C22 | C21 | H15 | 180.0° | 179.9° |
| C24 | N23 | C22 | C21 | 0.3° | 0.1° |
| N23 | C24 | N26 | N25 | 179.5° | 179.8° |
| N23 | C24 | N26 | C31 | 173.2° | 0.1° |
| N23 | C24 | N25 | C20 | 0.8° | 0.6° |
| C24 | N23 | C22 | H16 | 179.7° | 180.0° |
| C22 | C21 | C20 | H15 | 180.0° | 180.0° |
| C22 | C21 | C20 | N25 | 0.2° | 0.3° |
| C22 | C21 | C20 | N19 | 180.0° | 180.0° |
| C24 | N26 | C31 | C30 | 176.5° | 174.1° |
| N26 | C24 | N25 | C20 | 179.7° | 179.7° |
| C24 | N26 | C27 | H17 | 60.0° | 54.1° |
| C24 | N26 | C27 | H18 | 59.1° | 65.9° |
| C24 | N26 | C31 | H24 | 56.1° | 65.9° |
| C24 | N26 | C31 | H25 | 63.0° | 54.1° |
| C31 | N26 | C24 | N25 | 6.3° | 179.7° |
| N26 | C31 | C30 | H24 | 120.5° | 120.0° |
| N26 | C31 | C30 | H25 | 120.4° | 120.1° |
| C31 | N26 | C27 | H17 | 69.1° | 178.3° |
| C31 | N26 | C27 | H18 | 171.9° | 58.3° |
| N26 | C31 | C30 | H22 | 70.4° | 60.8° |
| N26 | C31 | C30 | H23 | 170.3° | 179.1° |
| N26 | C31 | H24 | H25 | 118.6° | 120.0° |
| C24 | N25 | C20 | C21 | 0.6° | 0.6° |
| C24 | N25 | C20 | N19 | 179.7° | 179.7° |
| C31 | C30 | C29 | H21 | 63.6° | 62.3° |
| C31 | C30 | H22 | H23 | 118.9° | 120.1° |
| C30 | C31 | H24 | H25 | 118.6° | 119.9° |
| C21 | C20 | N25 | N19 | 179.8° | 179.7° |
| C21 | C20 | N19 | C7 | 149.2° | 174.6° |
| C21 | C20 | N19 | H14 | 30.8° | 5.4° |
| C20 | C21 | C22 | H16 | 179.9° | 180.0° |
| N25 | C20 | N19 | C7 | 31.0° | 5.7° |
| N25 | C20 | N19 | H14 | 149.0° | 174.3° |
| N25 | C20 | C21 | H15 | 179.8° | 179.8° |
| C20 | N19 | C7 | H14 | 180.0° | 179.9° |
| C20 | N19 | C7 | C6 | 22.7° | 174.5° |
| C20 | N19 | C7 | N8 | 159.3° | 5.5° |
| N19 | C20 | C21 | H15 | 0.0° | 0.1° |
| N19 | C7 | C6 | N8 | 177.9° | 179.9° |
| N19 | C7 | C6 | C5 | 177.9° | 180.0° |
| N19 | C7 | N8 | C9 | 177.4° | 179.7° |
| N19 | C7 | C6 | H2 | 2.1° | 0.1° |
| C3 | C2 | C1 | N4 | 131.0° | 120.0° |
| C3 | C2 | C1 | H11 | 113.8° | 120.0° |
| C3 | C2 | N4 | H11 | 114.5° | 120.0° |
| C3 | C2 | N4 | C5 | 70.7° | 66.1° |
| C3 | C2 | N4 | C12 | 109.0° | 113.9° |
| C2 | C3 | H5 | H6 | 120.0° | 119.9° |
| C2 | C3 | H5 | H7 | 120.0° | 120.0° |
| C2 | C3 | H6 | H7 | 120.0° | 120.0° |
| C3 | C2 | C1 | H8 | 180.0° | 60.0° |
| C3 | C2 | C1 | H9 | 60.0° | 180.0° |
| C3 | C2 | C1 | H10 | 60.0° | 60.1° |
| C7 | C6 | C5 | H2 | 180.0° | 179.9° |
| C6 | C7 | N8 | C9 | 0.7° | 0.3° |
| C7 | C6 | C5 | N4 | 179.3° | 180.0° |
| C7 | C6 | C5 | C10 | 0.2° | 0.2° |
| C6 | C7 | N19 | H14 | 157.3° | 5.5° |
| N8 | C7 | C6 | C5 | 0.1° | 0.0° |
| C7 | N8 | C9 | C10 | 1.0° | 0.4° |
| N8 | C7 | C6 | H2 | 179.9° | 179.9° |
| C7 | N8 | C9 | H4 | 179.0° | 179.7° |
| N8 | C7 | N19 | H14 | 20.7° | 174.4° |
| C6 | C5 | N4 | C2 | 0.7° | 0.3° |
| C6 | C5 | N4 | C10 | 179.2° | 179.8° |
| C6 | C5 | N4 | C12 | 179.1° | 179.7° |
| C6 | C5 | C10 | C9 | 0.2° | 0.1° |
| C6 | C5 | C10 | C11 | 179.2° | 179.8° |
| C1 | C2 | N4 | H11 | 114.9° | 120.0° |
| C1 | C2 | N4 | C5 | 59.8° | 53.9° |
| C1 | C2 | N4 | C12 | 120.5° | 126.2° |
| C1 | C2 | C3 | H5 | 180.0° | 60.1° |
| C1 | C2 | C3 | H6 | 60.0° | 180.0° |
| C1 | C2 | C3 | H7 | 60.0° | 60.0° |
| C2 | C1 | H8 | H9 | 120.0° | 120.0° |
| C2 | C1 | H8 | H10 | 120.0° | 120.0° |
| C2 | C1 | H9 | H10 | 120.0° | 119.9° |
| C2 | N4 | C5 | C12 | 179.8° | 180.0° |
| C2 | N4 | C5 | C10 | 179.9° | 179.9° |
| C2 | N4 | C12 | C11 | 179.8° | 179.9° |
| C2 | N4 | C12 | C13 | 3.6° | 0.0° |
| N4 | C2 | C3 | H5 | 48.5° | 180.0° |
| N4 | C2 | C3 | H6 | 168.5° | 60.0° |
| N4 | C2 | C3 | H7 | 71.5° | 60.0° |
| N4 | C2 | C1 | H8 | 49.0° | 60.0° |
| N4 | C2 | C1 | H9 | 71.0° | 60.0° |
| N4 | C2 | C1 | H10 | 169.0° | 180.0° |
| N8 | C9 | C10 | C5 | 0.7° | 0.2° |
| N8 | C9 | C10 | H4 | 180.0° | 179.9° |
| N8 | C9 | C10 | C11 | 179.4° | 179.9° |
| N4 | C5 | C10 | C9 | 179.2° | 179.9° |
| N4 | C5 | C10 | C11 | 0.2° | 0.0° |
| C5 | N4 | C12 | C11 | 0.0° | 0.0° |
| C5 | N4 | C12 | C13 | 176.2° | 180.0° |
| N4 | C5 | C6 | H2 | 0.7° | 0.1° |
| C5 | N4 | C2 | H11 | 174.7° | 173.9° |
| C10 | C5 | N4 | C12 | 0.1° | 0.0° |
| C5 | C10 | C9 | C11 | 178.7° | 179.9° |
| C5 | C10 | C11 | C12 | 0.2° | 0.0° |
| C10 | C5 | C6 | H2 | 179.9° | 179.7° |
| C5 | C10 | C11 | H3 | 179.8° | 180.0° |
| C5 | C10 | C9 | H4 | 179.2° | 180.0° |
| N4 | C12 | C11 | C10 | 0.1° | 0.0° |
| N4 | C12 | C11 | C13 | 176.5° | 180.0° |
| N4 | C12 | C13 | C18 | 20.0° | 25.2° |
| N4 | C12 | C13 | C14 | 166.8° | 154.7° |
| N4 | C12 | C11 | H3 | 179.9° | 180.0° |
| C12 | N4 | C2 | H11 | 5.5° | 6.1° |
| C9 | C10 | C11 | C12 | 179.0° | 179.9° |
| C9 | C10 | C11 | H3 | 1.0° | 0.0° |
| C10 | C11 | C12 | H3 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 176.6° | 180.0° |
| C11 | C10 | C9 | H4 | 0.5° | 0.0° |
| C11 | C12 | C13 | C18 | 155.8° | 154.8° |
| C11 | C12 | C13 | C14 | 17.4° | 25.3° |
| C12 | C13 | C18 | C14 | 174.3° | 179.9° |
| C12 | C13 | C18 | N17 | 176.8° | 179.8° |
| C12 | C13 | C14 | N15 | 176.4° | 179.9° |
| C12 | C13 | C14 | H1 | 3.6° | 0.2° |
| C13 | C12 | C11 | H3 | 3.4° | 0.1° |
| C12 | C13 | C18 | H13 | 3.2° | 0.1° |
| C13 | C18 | N17 | H13 | 180.0° | 179.6° |
| C13 | C18 | N17 | N15 | 2.0° | 0.5° |
| C18 | C13 | C14 | N15 | 2.0° | 0.0° |
| C18 | C13 | C14 | H1 | 178.1° | 179.7° |
| N17 | C18 | C13 | C14 | 2.5° | 0.3° |
| C18 | N17 | N15 | C14 | 0.8° | 0.5° |
| C18 | N17 | N15 | H12 | 179.2° | 179.6° |
| C13 | C14 | N15 | N17 | 0.8° | 0.3° |
| C13 | C14 | N15 | H1 | 180.0° | 179.7° |
| C13 | C14 | N15 | H12 | 179.2° | 179.8° |
| C14 | C13 | C18 | H13 | 177.5° | 180.0° |
| N17 | N15 | C14 | H12 | 180.0° | 179.9° |
| N17 | N15 | C14 | H1 | 179.2° | 180.0° |
| N15 | N17 | C18 | H13 | 178.0° | 179.9° |
| H1 | C14 | N15 | H12 | 0.8° | 0.1° |
| H5 | C3 | H6 | H7 | 120.0° | 120.1° |
| H5 | C3 | C2 | H11 | 66.3° | 60.0° |
| H6 | C3 | C2 | H11 | 53.7° | 60.0° |
| H7 | C3 | C2 | H11 | 173.7° | 180.0° |
| H8 | C1 | H9 | H10 | 120.0° | 120.0° |
| H8 | C1 | C2 | H11 | 66.2° | NaN° |
| H9 | C1 | C2 | H11 | 173.8° | 60.0° |
| H10 | C1 | C2 | H11 | 53.8° | 59.9° |
| H15 | C21 | C22 | H16 | 0.1° | 0.0° |
| H17 | C27 | C28 | H19 | 176.3° | 59.2° |
| H17 | C27 | C28 | H20 | 56.2° | 60.8° |
| H18 | C27 | C28 | H19 | 57.3° | 179.2° |
| H18 | C27 | C28 | H20 | 62.9° | 59.2° |
| H19 | C28 | C29 | H21 | 179.1° | 177.9° |
| H20 | C28 | C29 | H21 | 58.9° | 57.7° |
| H21 | C29 | C30 | H22 | 176.0° | 177.9° |
| H21 | C29 | C30 | H23 | 56.8° | 57.7° |
| H22 | C30 | C31 | H24 | 169.1° | 179.3° |
| H22 | C30 | C31 | H25 | 50.0° | 59.3° |
| H23 | C30 | C31 | H24 | 49.8° | 59.1° |
| H23 | C30 | C31 | H25 | 69.3° | 60.8° |
| H26 | C33 | H27 | H28 | 120.0° | 120.0° |
