6KD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S26 | C25 | sing | 1.70Å | 1.71Å | Aromatic |
| S26 | C27 | sing | 1.76Å | 1.73Å | Aromatic |
| C25 | C24 | doub | 1.36Å | 1.37Å | Aromatic |
| O34 | C33 | doub | 1.22Å | 1.23Å | |
| C27 | C33 | sing | 1.42Å | 1.43Å | |
| C27 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| O23 | C22 | doub | 1.22Å | 1.24Å | |
| C24 | C28 | sing | 1.46Å | 1.44Å | Aromatic |
| C24 | C22 | sing | 1.47Å | 1.52Å | |
| C33 | N31 | sing | 1.35Å | 1.39Å | |
| C28 | N29 | sing | 1.36Å | 1.45Å | |
| C22 | N20 | sing | 1.35Å | 1.38Å | |
| N31 | C30 | sing | 1.36Å | 1.36Å | |
| N20 | C19 | sing | 1.40Å | 1.43Å | |
| N29 | C30 | doub | 1.30Å | 1.31Å | |
| C18 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| C11 | O12 | sing | 1.36Å | 1.39Å | |
| C11 | C10 | sing | 1.40Å | 1.42Å | Aromatic |
| C16 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | O12 | sing | 1.43Å | 1.46Å | |
| C13 | C15 | sing | 1.53Å | 1.50Å | |
| C10 | C8 | sing | 1.47Å | 1.51Å | |
| C4 | N3 | sing | 1.47Å | 1.47Å | |
| C2 | N3 | sing | 1.47Å | 1.48Å | |
| C2 | C1 | sing | 1.53Å | 1.58Å | |
| C5 | N3 | sing | 1.47Å | 1.47Å | |
| C5 | C6 | sing | 1.54Å | 1.55Å | |
| N7 | C8 | sing | 1.35Å | 1.37Å | |
| N7 | C1 | sing | 1.47Å | 1.48Å | |
| N7 | C6 | sing | 1.47Å | 1.48Å | |
| C8 | O9 | doub | 1.22Å | 1.22Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å | |
| N31 | H21 | sing | 0.97Å | 1.00Å | |
| C30 | H22 | sing | 1.08Å | 1.08Å | |
| N20 | H23 | sing | 0.97Å | 1.00Å | |
| C18 | H24 | sing | 1.08Å | 1.08Å | |
| C17 | H25 | sing | 1.08Å | 1.08Å | |
| C16 | H26 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | S26 | C27 | 92.3° | 92.9° |
| S26 | C25 | C24 | 112.7° | 111.8° |
| S26 | C25 | H20 | 123.7° | 124.1° |
| S26 | C27 | C33 | 127.5° | 131.0° |
| S26 | C27 | C28 | 110.9° | 110.2° |
| C25 | C24 | C28 | 111.9° | 113.8° |
| C25 | C24 | C22 | 121.1° | 123.1° |
| C24 | C25 | H20 | 123.6° | 124.1° |
| O34 | C33 | C27 | 124.9° | 120.7° |
| O34 | C33 | N31 | 122.0° | 120.7° |
| C33 | C27 | C28 | 121.7° | 118.7° |
| C27 | C33 | N31 | 113.2° | 118.7° |
| C27 | C28 | C24 | 112.2° | 111.3° |
| C27 | C28 | N29 | 121.3° | 118.8° |
| O23 | C22 | C24 | 120.1° | 120.0° |
| O23 | C22 | N20 | 123.8° | 120.0° |
| C28 | C24 | C22 | 127.0° | 123.1° |
| C24 | C28 | N29 | 126.5° | 129.9° |
| C24 | C22 | N20 | 116.1° | 120.0° |
| C33 | N31 | C30 | 124.0° | 120.1° |
| C33 | N31 | H21 | 118.0° | 119.9° |
| C28 | N29 | C30 | 114.6° | 121.7° |
| C22 | N20 | C19 | 130.8° | 120.0° |
| C22 | N20 | H23 | 114.6° | 120.0° |
| N31 | C30 | N29 | 125.3° | 122.1° |
| C30 | N31 | H21 | 118.0° | 120.0° |
| N31 | C30 | H22 | 117.3° | 119.0° |
| N20 | C19 | C18 | 122.9° | 120.0° |
| N20 | C19 | C11 | 117.7° | 120.0° |
| C19 | N20 | H23 | 114.6° | 120.0° |
| N29 | C30 | H22 | 117.4° | 118.9° |
| C19 | C18 | C17 | 119.9° | 120.3° |
| C18 | C19 | C11 | 119.4° | 120.0° |
| C19 | C18 | H24 | 120.0° | 119.8° |
| C18 | C17 | C16 | 120.8° | 120.4° |
| C17 | C18 | H24 | 120.1° | 119.9° |
| C18 | C17 | H25 | 119.6° | 119.8° |
| C19 | C11 | O12 | 117.4° | 120.2° |
| C19 | C11 | C10 | 120.9° | 119.6° |
| C17 | C16 | C10 | 121.1° | 120.0° |
| C16 | C17 | H25 | 119.6° | 119.8° |
| C17 | C16 | H26 | 119.4° | 120.0° |
| C14 | C13 | O12 | 111.7° | 109.5° |
| C14 | C13 | C15 | 114.3° | 109.4° |
| C14 | C13 | H13 | 108.2° | 109.4° |
| C13 | C14 | H14 | 109.5° | 109.4° |
| C13 | C14 | H15 | 109.5° | 109.5° |
| C13 | C14 | H16 | 109.4° | 109.4° |
| O12 | C11 | C10 | 121.7° | 120.2° |
| C11 | O12 | C13 | 122.6° | 117.0° |
| C11 | C10 | C16 | 118.0° | 119.7° |
| C11 | C10 | C8 | 124.5° | 120.2° |
| C16 | C10 | C8 | 117.4° | 120.2° |
| C10 | C16 | H26 | 119.5° | 120.0° |
| O12 | C13 | C15 | 105.1° | 109.5° |
| O12 | C13 | H13 | 109.0° | 109.5° |
| C15 | C13 | H13 | 108.3° | 109.5° |
| C13 | C15 | H17 | 109.5° | 109.4° |
| C13 | C15 | H18 | 109.5° | 109.4° |
| C13 | C15 | H19 | 109.5° | 109.5° |
| C10 | C8 | N7 | 119.2° | 120.0° |
| C10 | C8 | O9 | 118.3° | 120.0° |
| C4 | N3 | C2 | 111.6° | 111.0° |
| C4 | N3 | C5 | 110.6° | 111.1° |
| N3 | C4 | H5 | 109.5° | 109.5° |
| N3 | C4 | H6 | 109.5° | 109.4° |
| N3 | C4 | H7 | 109.5° | 109.5° |
| N3 | C2 | C1 | 111.2° | 109.4° |
| C2 | N3 | C5 | 109.9° | 111.3° |
| N3 | C2 | H3 | 109.0° | 109.5° |
| N3 | C2 | H4 | 109.0° | 109.5° |
| C2 | C1 | N7 | 112.3° | 108.7° |
| C2 | C1 | H1 | 108.7° | 109.6° |
| C2 | C1 | H2 | 108.7° | 109.6° |
| C1 | C2 | H3 | 109.0° | 109.5° |
| C1 | C2 | H4 | 109.1° | 109.5° |
| N3 | C5 | C6 | 110.7° | 109.4° |
| N3 | C5 | H8 | 109.1° | 109.5° |
| N3 | C5 | H9 | 109.2° | 109.4° |
| C5 | C6 | N7 | 112.1° | 108.4° |
| C6 | C5 | H8 | 109.2° | 109.6° |
| C6 | C5 | H9 | 109.2° | 109.4° |
| C5 | C6 | H10 | 108.8° | 109.6° |
| C5 | C6 | H11 | 108.8° | 109.6° |
| C8 | N7 | C1 | 119.9° | 120.9° |
| C8 | N7 | C6 | 119.4° | 120.9° |
| N7 | C8 | O9 | 122.5° | 120.0° |
| C1 | N7 | C6 | 112.1° | 118.3° |
| N7 | C1 | H1 | 108.8° | 109.6° |
| N7 | C1 | H2 | 108.8° | 109.7° |
| N7 | C6 | H10 | 108.8° | 109.8° |
| N7 | C6 | H11 | 108.8° | 109.7° |
| H1 | C1 | H2 | 109.5° | 109.6° |
| H3 | C2 | H4 | 109.5° | 109.5° |
| H5 | C4 | H6 | 109.4° | 109.5° |
| H5 | C4 | H7 | 109.5° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.4° |
| H8 | C5 | H9 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.6° |
| H14 | C14 | H15 | 109.5° | 109.5° |
| H14 | C14 | H16 | 109.5° | 109.5° |
| H15 | C14 | H16 | 109.5° | 109.6° |
| H17 | C15 | H18 | 109.4° | 109.5° |
| H17 | C15 | H19 | 109.5° | 109.5° |
| H18 | C15 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S26 | C25 | C24 | H20 | 180.0° | 179.9° |
| C25 | S26 | C27 | C33 | 179.9° | 179.9° |
| C25 | S26 | C27 | C28 | 0.0° | 0.0° |
| S26 | C25 | C24 | C28 | 0.0° | 0.0° |
| S26 | C25 | C24 | C22 | 179.7° | 180.0° |
| C27 | S26 | C25 | C24 | 0.0° | 0.0° |
| S26 | C27 | C33 | O34 | 0.3° | 0.0° |
| S26 | C27 | C33 | C28 | 180.0° | 180.0° |
| S26 | C27 | C28 | C24 | 0.0° | 0.0° |
| S26 | C27 | C33 | N31 | 179.9° | 179.7° |
| S26 | C27 | C28 | N29 | 179.8° | 180.0° |
| C27 | S26 | C25 | H20 | 180.0° | 179.9° |
| C25 | C24 | C28 | C27 | 0.0° | 0.0° |
| C25 | C24 | C22 | O23 | 0.5° | 180.0° |
| C25 | C24 | C28 | C22 | 179.7° | 179.9° |
| C25 | C24 | C28 | N29 | 179.8° | 180.0° |
| C25 | C24 | C22 | N20 | 179.8° | 0.0° |
| O34 | C33 | C27 | N31 | 179.9° | 179.7° |
| O34 | C33 | C27 | C28 | 179.8° | 180.0° |
| O34 | C33 | N31 | C30 | 179.8° | 180.0° |
| O34 | C33 | N31 | H21 | 0.1° | 0.0° |
| C33 | C27 | C28 | C24 | 179.9° | 180.0° |
| C33 | C27 | C28 | N29 | 0.1° | 0.0° |
| C27 | C33 | N31 | C30 | 0.1° | 0.3° |
| C27 | C33 | N31 | H21 | 180.0° | 179.8° |
| C27 | C28 | C24 | N29 | 179.8° | 180.0° |
| C27 | C28 | C24 | C22 | 179.7° | 180.0° |
| C28 | C27 | C33 | N31 | 0.1° | 0.2° |
| C27 | C28 | N29 | C30 | 0.1° | 0.2° |
| O23 | C22 | C24 | C28 | 179.2° | 0.0° |
| O23 | C22 | C24 | N20 | 179.7° | 180.0° |
| O23 | C22 | N20 | C19 | 3.3° | 3.7° |
| O23 | C22 | N20 | H23 | 176.7° | 176.3° |
| C28 | C24 | C22 | N20 | 0.5° | 179.9° |
| C24 | C28 | N29 | C30 | 179.9° | 179.7° |
| C28 | C24 | C25 | H20 | 180.0° | 179.9° |
| C22 | C24 | C28 | N29 | 0.1° | 0.0° |
| C24 | C22 | N20 | C19 | 176.4° | 176.4° |
| C22 | C24 | C25 | H20 | 0.3° | 0.1° |
| C24 | C22 | N20 | H23 | 3.6° | 3.7° |
| C33 | N31 | C30 | H21 | 180.0° | 179.9° |
| C33 | N31 | C30 | N29 | 0.1° | 0.1° |
| C33 | N31 | C30 | H22 | 179.9° | 179.9° |
| C28 | N29 | C30 | N31 | 0.1° | 0.2° |
| C28 | N29 | C30 | H22 | 179.9° | 179.7° |
| C22 | N20 | C19 | H23 | 180.0° | 179.9° |
| C22 | N20 | C19 | C18 | 12.7° | 27.2° |
| C22 | N20 | C19 | C11 | 168.1° | 152.7° |
| N31 | C30 | N29 | H22 | 180.0° | 179.9° |
| N20 | C19 | C18 | C11 | 179.2° | 179.9° |
| N20 | C19 | C18 | C17 | 179.8° | 180.0° |
| N20 | C19 | C11 | O12 | 1.8° | 0.0° |
| N20 | C19 | C11 | C10 | 179.6° | 179.9° |
| N20 | C19 | C18 | H24 | 0.2° | 0.1° |
| N29 | C30 | N31 | H21 | 180.0° | 180.0° |
| C19 | C18 | C17 | H24 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 0.2° | 0.4° |
| C18 | C19 | C11 | O12 | 179.0° | 180.0° |
| C18 | C19 | C11 | C10 | 0.4° | 0.0° |
| C18 | C19 | N20 | H23 | 167.3° | 152.7° |
| C19 | C18 | C17 | H25 | 179.8° | 179.9° |
| C17 | C18 | C19 | C11 | 0.6° | 0.0° |
| C18 | C17 | C16 | H25 | 180.0° | 179.7° |
| C18 | C17 | C16 | C10 | 0.5° | 0.7° |
| C18 | C17 | C16 | H26 | 179.5° | 180.0° |
| C19 | C11 | O12 | C10 | 178.6° | 180.0° |
| C19 | C11 | C10 | C16 | 0.3° | 0.3° |
| C19 | C11 | O12 | C13 | 113.0° | 83.1° |
| C19 | C11 | C10 | C8 | 178.4° | 180.0° |
| C11 | C19 | N20 | H23 | 11.9° | 27.3° |
| C11 | C19 | C18 | H24 | 179.4° | 180.0° |
| C17 | C16 | C10 | C11 | 0.7° | 0.6° |
| C17 | C16 | C10 | H26 | 180.0° | 179.3° |
| C17 | C16 | C10 | C8 | 178.9° | 179.7° |
| C16 | C17 | C18 | H24 | 179.8° | 179.7° |
| C14 | C13 | O12 | C11 | 60.9° | 144.6° |
| C14 | C13 | O12 | C15 | 124.5° | 120.0° |
| C14 | C13 | O12 | H13 | 119.6° | 120.0° |
| C14 | C13 | C15 | H13 | 120.7° | 120.0° |
| C13 | C14 | H14 | H15 | 120.0° | 120.0° |
| C13 | C14 | H14 | H16 | 120.0° | 119.9° |
| C13 | C14 | H15 | H16 | 120.0° | 120.0° |
| C14 | C13 | C15 | H17 | 180.0° | 174.7° |
| C14 | C13 | C15 | H18 | 60.0° | 54.7° |
| C14 | C13 | C15 | H19 | 60.0° | 65.3° |
| O12 | C11 | C10 | C16 | 178.3° | 179.7° |
| C11 | O12 | C13 | C15 | 174.6° | 95.4° |
| O12 | C11 | C10 | C8 | 0.2° | 0.0° |
| C11 | O12 | C13 | H13 | 58.6° | 24.6° |
| C11 | C10 | C16 | C8 | 178.3° | 179.7° |
| C10 | C11 | O12 | C13 | 68.4° | 96.9° |
| C11 | C10 | C8 | N7 | 108.1° | 129.8° |
| C11 | C10 | C8 | O9 | 70.9° | 50.2° |
| C11 | C10 | C16 | H26 | 179.3° | 179.9° |
| C16 | C10 | C8 | N7 | 73.8° | 50.0° |
| C16 | C10 | C8 | O9 | 107.2° | 130.1° |
| C10 | C16 | C17 | H25 | 179.5° | 179.7° |
| O12 | C13 | C15 | H13 | 116.4° | 120.0° |
| O12 | C13 | C14 | H14 | 180.0° | 60.0° |
| O12 | C13 | C14 | H15 | 60.0° | 179.9° |
| O12 | C13 | C14 | H16 | 60.0° | 60.0° |
| O12 | C13 | C15 | H17 | 57.1° | 65.3° |
| O12 | C13 | C15 | H18 | 62.8° | 174.7° |
| O12 | C13 | C15 | H19 | 177.2° | 54.7° |
| C15 | C13 | C14 | H14 | 60.8° | 60.0° |
| C15 | C13 | C14 | H15 | 59.2° | 60.0° |
| C15 | C13 | C14 | H16 | 179.2° | 180.0° |
| C13 | C15 | H17 | H18 | 120.0° | 119.9° |
| C13 | C15 | H17 | H19 | 120.0° | 120.0° |
| C13 | C15 | H18 | H19 | 120.0° | 120.0° |
| C10 | C8 | N7 | O9 | 178.9° | 179.9° |
| C10 | C8 | N7 | C1 | 96.5° | 175.2° |
| C10 | C8 | N7 | C6 | 118.1° | 4.8° |
| C8 | C10 | C16 | H26 | 1.0° | 0.4° |
| C4 | N3 | C2 | C5 | 123.0° | 124.2° |
| C4 | N3 | C2 | C1 | 179.8° | 172.7° |
| C4 | N3 | C5 | C6 | 176.8° | 172.9° |
| C4 | N3 | C2 | H3 | 59.9° | 67.3° |
| C4 | N3 | C2 | H4 | 59.6° | 52.7° |
| N3 | C4 | H5 | H6 | 120.0° | 120.0° |
| N3 | C4 | H5 | H7 | 120.0° | 120.0° |
| N3 | C4 | H6 | H7 | 120.0° | 120.0° |
| C4 | N3 | C5 | H8 | 63.0° | 52.8° |
| C4 | N3 | C5 | H9 | 56.6° | 67.3° |
| N3 | C2 | C1 | H3 | 120.3° | 119.9° |
| N3 | C2 | C1 | H4 | 120.3° | 120.0° |
| C2 | N3 | C5 | C6 | 59.6° | 62.9° |
| N3 | C2 | C1 | N7 | 52.2° | 53.9° |
| N3 | C2 | C1 | H1 | 68.3° | 65.9° |
| N3 | C2 | C1 | H2 | 172.6° | 173.8° |
| N3 | C2 | H3 | H4 | 119.2° | 120.0° |
| C2 | N3 | C4 | H5 | 180.0° | 60.0° |
| C2 | N3 | C4 | H6 | 60.0° | 180.0° |
| C2 | N3 | C4 | H7 | 60.0° | 60.0° |
| C2 | N3 | C5 | H8 | 60.6° | 177.0° |
| C2 | N3 | C5 | H9 | 179.8° | 56.9° |
| C1 | C2 | N3 | C5 | 56.8° | 63.0° |
| C2 | C1 | N7 | C8 | 162.7° | 128.8° |
| C2 | C1 | N7 | H1 | 120.4° | 119.8° |
| C2 | C1 | N7 | H2 | 120.4° | 119.8° |
| C2 | C1 | N7 | C6 | 49.6° | 51.2° |
| C2 | C1 | H1 | H2 | 118.7° | 120.4° |
| C1 | C2 | H3 | H4 | 119.2° | 120.1° |
| N3 | C5 | C6 | H8 | 120.2° | 120.0° |
| N3 | C5 | C6 | H9 | 120.2° | 119.9° |
| N3 | C5 | C6 | N7 | 57.8° | 53.7° |
| C5 | N3 | C2 | H3 | 177.0° | 56.9° |
| C5 | N3 | C2 | H4 | 63.5° | 176.9° |
| C5 | N3 | C4 | H5 | 57.4° | 175.7° |
| C5 | N3 | C4 | H6 | 62.6° | 55.7° |
| C5 | N3 | C4 | H7 | 177.4° | 64.3° |
| N3 | C5 | H8 | H9 | 119.4° | 120.0° |
| N3 | C5 | C6 | H10 | 178.2° | 173.5° |
| N3 | C5 | C6 | H11 | 62.6° | 66.1° |
| C5 | C6 | N7 | C8 | 159.6° | 129.0° |
| C5 | C6 | N7 | C1 | 52.5° | 51.0° |
| C5 | C6 | N7 | H10 | 120.4° | 119.8° |
| C5 | C6 | N7 | H11 | 120.4° | 119.7° |
| C6 | C5 | H8 | H9 | 119.4° | 120.0° |
| C5 | C6 | H10 | H11 | 118.8° | 120.4° |
| C8 | N7 | C1 | C6 | 147.8° | 180.0° |
| C8 | N7 | C1 | H1 | 76.9° | 111.5° |
| C8 | N7 | C1 | H2 | 42.2° | 8.9° |
| C8 | N7 | C6 | H10 | 39.2° | 9.2° |
| C8 | N7 | C6 | H11 | 80.0° | 111.3° |
| C1 | N7 | C8 | O9 | 84.6° | 4.9° |
| N7 | C1 | H1 | H2 | 118.7° | 120.4° |
| N7 | C1 | C2 | H3 | 172.4° | 66.1° |
| N7 | C1 | C2 | H4 | 68.1° | 173.9° |
| C1 | N7 | C6 | H10 | 172.9° | 170.8° |
| C1 | N7 | C6 | H11 | 67.9° | 68.7° |
| C6 | N7 | C8 | O9 | 60.8° | 175.1° |
| C6 | N7 | C1 | H1 | 70.8° | 68.5° |
| C6 | N7 | C1 | H2 | 170.0° | 171.1° |
| N7 | C6 | C5 | H8 | 62.4° | 173.7° |
| N7 | C6 | C5 | H9 | 178.0° | 66.2° |
| N7 | C6 | H10 | H11 | 118.8° | 120.6° |
| H1 | C1 | C2 | H3 | 52.0° | 174.2° |
| H1 | C1 | C2 | H4 | 171.4° | 54.1° |
| H2 | C1 | C2 | H3 | 67.2° | 53.8° |
| H2 | C1 | C2 | H4 | 52.3° | 66.2° |
| H5 | C4 | H6 | H7 | 120.0° | 120.0° |
| H8 | C5 | C6 | H10 | 58.0° | 66.4° |
| H8 | C5 | C6 | H11 | 177.2° | 53.9° |
| H9 | C5 | C6 | H10 | 61.6° | 53.7° |
| H9 | C5 | C6 | H11 | 57.6° | 174.0° |
| H13 | C13 | C14 | H14 | 59.9° | 180.0° |
| H13 | C13 | C14 | H15 | 180.0° | 60.0° |
| H13 | C13 | C14 | H16 | 60.0° | 60.1° |
| H13 | C13 | C15 | H17 | 59.3° | 54.7° |
| H13 | C13 | C15 | H18 | 179.2° | 65.3° |
| H13 | C13 | C15 | H19 | 60.8° | 174.7° |
| H14 | C14 | H15 | H16 | 120.0° | 120.0° |
| H17 | C15 | H18 | H19 | 120.0° | 120.1° |
| H21 | N31 | C30 | H22 | 0.0° | 0.1° |
| H24 | C18 | C17 | H25 | 0.2° | 0.0° |
| H25 | C17 | C16 | H26 | 0.5° | 0.4° |
