K1E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O35 | C34 | doub | 1.22Å | 1.21Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C32 | N31 | sing | 1.47Å | 1.47Å | |
| C34 | N31 | sing | 1.35Å | 1.36Å | |
| C34 | O36 | sing | 1.35Å | 1.34Å | |
| C33 | N28 | sing | 1.47Å | 1.48Å | |
| N31 | C30 | sing | 1.47Å | 1.47Å | |
| C37 | O36 | sing | 1.45Å | 1.45Å | |
| N28 | C25 | sing | 1.47Å | 1.48Å | |
| N28 | C29 | sing | 1.47Å | 1.47Å | |
| C30 | C29 | sing | 1.53Å | 1.51Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| N20 | C19 | trip | 1.14Å | 1.14Å | |
| C27 | C22 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C19 | C18 | sing | 1.47Å | 1.46Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | N21 | sing | 1.46Å | 1.46Å | |
| N21 | C10 | sing | 1.38Å | 1.35Å | |
| C18 | C13 | sing | 1.51Å | 1.51Å | |
| N12 | C13 | doub | 1.31Å | 1.34Å | Aromatic |
| N12 | C11 | sing | 1.33Å | 1.37Å | Aromatic |
| C10 | C11 | doub | 1.46Å | 1.44Å | Aromatic |
| C10 | N9 | sing | 1.33Å | 1.33Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C16 | sing | 1.41Å | 1.42Å | Aromatic |
| N9 | C8 | doub | 1.33Å | 1.35Å | Aromatic |
| C4 | N3 | doub | 1.31Å | 1.32Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| N3 | N2 | sing | 1.40Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.37Å | 1.36Å | Aromatic |
| C16 | C15 | sing | 1.41Å | 1.41Å | Aromatic |
| C16 | N17 | doub | 1.34Å | 1.37Å | Aromatic |
| C8 | N17 | sing | 1.32Å | 1.35Å | Aromatic |
| C8 | N7 | sing | 1.38Å | 1.38Å | |
| C5 | N7 | sing | 1.41Å | 1.40Å | |
| C5 | C6 | doub | 1.36Å | 1.37Å | Aromatic |
| N2 | C1 | sing | 1.46Å | 1.45Å | |
| N2 | C6 | sing | 1.36Å | 1.34Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C27 | H9 | sing | 1.09Å | 1.10Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| C30 | H11 | sing | 1.09Å | 1.10Å | |
| C30 | H12 | sing | 1.09Å | 1.10Å | |
| C32 | H13 | sing | 1.09Å | 1.10Å | |
| C32 | H14 | sing | 1.09Å | 1.10Å | |
| C33 | H15 | sing | 1.09Å | 1.10Å | |
| C33 | H16 | sing | 1.09Å | 1.10Å | |
| C4 | H17 | sing | 1.08Å | 1.08Å | |
| C6 | H18 | sing | 1.08Å | 1.08Å | |
| N7 | H19 | sing | 0.97Å | 1.00Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| N21 | H22 | sing | 0.97Å | 1.00Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C37 | H31 | sing | 1.09Å | 1.10Å | |
| C37 | H32 | sing | 1.09Å | 1.10Å | |
| C37 | H33 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O35 | C34 | N31 | 124.2° | 120.0° |
| O35 | C34 | O36 | 124.3° | 120.0° |
| C33 | C32 | N31 | 110.4° | 108.5° |
| C32 | C33 | N28 | 110.3° | 109.3° |
| C33 | C32 | H13 | 109.2° | 109.6° |
| C33 | C32 | H14 | 109.2° | 109.6° |
| C32 | C33 | H15 | 109.3° | 109.5° |
| C32 | C33 | H16 | 109.3° | 109.5° |
| C32 | N31 | C34 | 123.5° | 120.9° |
| C32 | N31 | C30 | 113.0° | 118.2° |
| N31 | C32 | H13 | 109.2° | 109.6° |
| N31 | C32 | H14 | 109.2° | 109.6° |
| N31 | C34 | O36 | 111.5° | 120.0° |
| C34 | N31 | C30 | 122.8° | 120.9° |
| C34 | O36 | C37 | 115.8° | 117.0° |
| C33 | N28 | C25 | 115.2° | 111.0° |
| C33 | N28 | C29 | 109.7° | 111.3° |
| N28 | C33 | H15 | 109.3° | 109.5° |
| N28 | C33 | H16 | 109.3° | 109.5° |
| N31 | C30 | C29 | 110.2° | 108.6° |
| N31 | C30 | H11 | 109.3° | 109.6° |
| N31 | C30 | H12 | 109.3° | 109.8° |
| O36 | C37 | H31 | 109.5° | 109.5° |
| O36 | C37 | H32 | 109.5° | 109.5° |
| O36 | C37 | H33 | 109.5° | 109.5° |
| C25 | N28 | C29 | 114.5° | 111.0° |
| N28 | C25 | C26 | 116.5° | 109.5° |
| N28 | C25 | C24 | 116.7° | 109.5° |
| N28 | C25 | H25 | 102.7° | 109.5° |
| N28 | C29 | C30 | 109.9° | 109.3° |
| N28 | C29 | H29 | 109.4° | 109.5° |
| N28 | C29 | H30 | 109.4° | 109.5° |
| C29 | C30 | H11 | 109.3° | 109.6° |
| C29 | C30 | H12 | 109.3° | 109.6° |
| C30 | C29 | H29 | 109.4° | 109.5° |
| C30 | C29 | H30 | 109.4° | 109.5° |
| C26 | C25 | C24 | 113.4° | 109.5° |
| C25 | C26 | C27 | 111.2° | 109.5° |
| C26 | C25 | H25 | 102.3° | 109.5° |
| C25 | C26 | H26 | 109.0° | 109.4° |
| C25 | C26 | H27 | 109.0° | 109.5° |
| C25 | C24 | C23 | 111.8° | 109.5° |
| C25 | C24 | H7 | 108.9° | 109.5° |
| C25 | C24 | H8 | 108.9° | 109.5° |
| C24 | C25 | H25 | 102.2° | 109.5° |
| C26 | C27 | C22 | 110.3° | 109.5° |
| C26 | C27 | H9 | 109.2° | 109.5° |
| C26 | C27 | H10 | 109.3° | 109.5° |
| C27 | C26 | H26 | 109.0° | 109.5° |
| C27 | C26 | H27 | 109.0° | 109.5° |
| N20 | C19 | C18 | 179.3° | 180.0° |
| C27 | C22 | C23 | 110.6° | 109.5° |
| C27 | C22 | N21 | 111.6° | 109.5° |
| C27 | C22 | H6 | 106.3° | 109.5° |
| C22 | C27 | H9 | 109.3° | 109.4° |
| C22 | C27 | H10 | 109.3° | 109.5° |
| C24 | C23 | C22 | 111.0° | 109.4° |
| C23 | C24 | H7 | 108.9° | 109.5° |
| C23 | C24 | H8 | 108.9° | 109.4° |
| C24 | C23 | H23 | 109.1° | 109.5° |
| C24 | C23 | H24 | 109.1° | 109.5° |
| C19 | C18 | C13 | 109.4° | 109.5° |
| C19 | C18 | H20 | 109.5° | 109.4° |
| C19 | C18 | H21 | 109.5° | 109.5° |
| C23 | C22 | N21 | 114.7° | 109.5° |
| C23 | C22 | H6 | 106.2° | 109.5° |
| C22 | C23 | H23 | 109.1° | 109.5° |
| C22 | C23 | H24 | 109.1° | 109.4° |
| C22 | N21 | C10 | 122.4° | 120.0° |
| N21 | C22 | H6 | 107.0° | 109.5° |
| C22 | N21 | H22 | 106.1° | 120.0° |
| N21 | C10 | C11 | 121.8° | 121.2° |
| N21 | C10 | N9 | 118.2° | 121.1° |
| C10 | N21 | H22 | 106.1° | 120.0° |
| C18 | C13 | N12 | 116.1° | 119.2° |
| C18 | C13 | C14 | 120.6° | 119.1° |
| C13 | C18 | H20 | 109.5° | 109.5° |
| C13 | C18 | H21 | 109.5° | 109.5° |
| C13 | N12 | C11 | 118.1° | 121.1° |
| N12 | C13 | C14 | 123.2° | 121.7° |
| N12 | C11 | C10 | 121.4° | 122.0° |
| N12 | C11 | C16 | 122.0° | 120.3° |
| C11 | C10 | N9 | 120.0° | 117.7° |
| C10 | C11 | C16 | 116.6° | 117.7° |
| C10 | N9 | C8 | 119.4° | 121.4° |
| C13 | C14 | C15 | 119.3° | 120.0° |
| C13 | C14 | H4 | 120.4° | 120.0° |
| C11 | C16 | C15 | 117.5° | 118.9° |
| C11 | C16 | N17 | 122.2° | 119.0° |
| N9 | C8 | N17 | 126.4° | 123.4° |
| N9 | C8 | N7 | 115.9° | 118.3° |
| N3 | C4 | C5 | 111.1° | 108.4° |
| C4 | N3 | N2 | 104.7° | 108.4° |
| N3 | C4 | H17 | 124.4° | 125.8° |
| C4 | C5 | N7 | 129.7° | 126.1° |
| C4 | C5 | C6 | 105.5° | 107.9° |
| C5 | C4 | H17 | 124.4° | 125.9° |
| N3 | N2 | C1 | 120.7° | 126.1° |
| N3 | N2 | C6 | 111.4° | 107.9° |
| C14 | C15 | C16 | 119.9° | 118.0° |
| C15 | C14 | H4 | 120.4° | 120.0° |
| C14 | C15 | H5 | 120.1° | 121.0° |
| C15 | C16 | N17 | 120.3° | 122.2° |
| C16 | C15 | H5 | 120.1° | 121.0° |
| C16 | N17 | C8 | 115.4° | 120.9° |
| N17 | C8 | N7 | 117.7° | 118.3° |
| C8 | N7 | C5 | 128.7° | 120.0° |
| C8 | N7 | H19 | 115.6° | 120.0° |
| N7 | C5 | C6 | 124.8° | 126.0° |
| C5 | N7 | H19 | 115.6° | 120.0° |
| C5 | C6 | N2 | 107.2° | 107.5° |
| C5 | C6 | H18 | 126.4° | 126.3° |
| C1 | N2 | C6 | 127.9° | 126.1° |
| N2 | C1 | H1 | 109.5° | 109.5° |
| N2 | C1 | H2 | 109.5° | 109.5° |
| N2 | C1 | H3 | 109.5° | 109.5° |
| N2 | C6 | H18 | 126.4° | 126.2° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H7 | C24 | H8 | 109.4° | 109.5° |
| H9 | C27 | H10 | 109.5° | 109.5° |
| H11 | C30 | H12 | 109.5° | 109.6° |
| H13 | C32 | H14 | 109.5° | 109.8° |
| H15 | C33 | H16 | 109.4° | 109.6° |
| H20 | C18 | H21 | 109.5° | 109.4° |
| H23 | C23 | H24 | 109.5° | 109.5° |
| H26 | C26 | H27 | 109.5° | 109.5° |
| H29 | C29 | H30 | 109.4° | 109.6° |
| H31 | C37 | H32 | 109.5° | 109.4° |
| H31 | C37 | H33 | 109.5° | 109.4° |
| H32 | C37 | H33 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O35 | C34 | N31 | C32 | 9.9° | 0.1° |
| O35 | C34 | N31 | O36 | 179.9° | 179.9° |
| O35 | C34 | N31 | C30 | 180.0° | 179.9° |
| O35 | C34 | O36 | C37 | 0.1° | 0.1° |
| C33 | C32 | N31 | H13 | 120.1° | 119.7° |
| C33 | C32 | N31 | H14 | 120.1° | 119.7° |
| C33 | C32 | N31 | C34 | 117.9° | 128.8° |
| C32 | C33 | N28 | H15 | 120.1° | 119.9° |
| C32 | C33 | N28 | H16 | 120.1° | 119.9° |
| C33 | C32 | N31 | C30 | 53.1° | 51.2° |
| C32 | C33 | N28 | C25 | 169.2° | 172.8° |
| C32 | C33 | N28 | C29 | 59.9° | 63.1° |
| C33 | C32 | H13 | H14 | 119.6° | 120.5° |
| C32 | C33 | H15 | H16 | 119.6° | 120.0° |
| C32 | N31 | C34 | C30 | 170.1° | 180.0° |
| C32 | N31 | C34 | O36 | 170.0° | 180.0° |
| N31 | C32 | C33 | N28 | 55.2° | 53.8° |
| C32 | N31 | C30 | C29 | 54.5° | 51.2° |
| C32 | N31 | C30 | H11 | 65.6° | 170.9° |
| C32 | N31 | C30 | H12 | 174.6° | 68.7° |
| N31 | C32 | H13 | H14 | 119.6° | 120.5° |
| N31 | C32 | C33 | H15 | 65.0° | 66.1° |
| N31 | C32 | C33 | H16 | 175.3° | 173.8° |
| N31 | C34 | O36 | C37 | 179.9° | 180.0° |
| C34 | N31 | C30 | C29 | 116.5° | 128.8° |
| C34 | N31 | C30 | H11 | 123.4° | 9.1° |
| C34 | N31 | C30 | H12 | 3.6° | 111.4° |
| C34 | N31 | C32 | H13 | 122.0° | 111.5° |
| C34 | N31 | C32 | H14 | 2.3° | 9.1° |
| O36 | C34 | N31 | C30 | 0.1° | 0.1° |
| C34 | O36 | C37 | H31 | 180.0° | 179.9° |
| C34 | O36 | C37 | H32 | 60.0° | 60.1° |
| C34 | O36 | C37 | H33 | 60.0° | 59.9° |
| C33 | N28 | C25 | C29 | 128.5° | 124.3° |
| C33 | N28 | C29 | C30 | 61.3° | 63.1° |
| C33 | N28 | C25 | C26 | 72.4° | 180.0° |
| C33 | N28 | C25 | C24 | 149.3° | 60.0° |
| N28 | C33 | C32 | H13 | 65.0° | 65.8° |
| N28 | C33 | C32 | H14 | 175.3° | 173.5° |
| N28 | C33 | H15 | H16 | 119.7° | 120.1° |
| C33 | N28 | C25 | H25 | 38.5° | 60.0° |
| C33 | N28 | C29 | H29 | 58.8° | 176.9° |
| C33 | N28 | C29 | H30 | 178.6° | 56.8° |
| N31 | C30 | C29 | N28 | 58.0° | 53.8° |
| N31 | C30 | C29 | H11 | 120.1° | 119.7° |
| N31 | C30 | C29 | H12 | 120.1° | 120.0° |
| N31 | C30 | H11 | H12 | 119.7° | 120.6° |
| C30 | N31 | C32 | H13 | 67.0° | 68.6° |
| C30 | N31 | C32 | H14 | 173.2° | 170.9° |
| N31 | C30 | C29 | H29 | 62.1° | 173.8° |
| N31 | C30 | C29 | H30 | 178.0° | 66.1° |
| O36 | C37 | H31 | H32 | 120.0° | 120.0° |
| O36 | C37 | H31 | H33 | 120.0° | 120.1° |
| O36 | C37 | H32 | H33 | 120.0° | 120.1° |
| C25 | N28 | C29 | C30 | 167.4° | 172.8° |
| N28 | C25 | C26 | C24 | 139.7° | 120.0° |
| N28 | C25 | C26 | H25 | 111.1° | 120.0° |
| N28 | C25 | C24 | H25 | 111.1° | 120.0° |
| N28 | C25 | C26 | C27 | 169.3° | 180.0° |
| N28 | C25 | C24 | C23 | 171.6° | 180.0° |
| N28 | C25 | C24 | H7 | 51.2° | 60.0° |
| N28 | C25 | C24 | H8 | 68.1° | 60.1° |
| C25 | N28 | C33 | H15 | 70.7° | 67.3° |
| C25 | N28 | C33 | H16 | 49.1° | 52.8° |
| N28 | C25 | C26 | H26 | 70.4° | 60.0° |
| N28 | C25 | C26 | H27 | 49.0° | 60.0° |
| C25 | N28 | C29 | H29 | 72.5° | 52.8° |
| C25 | N28 | C29 | H30 | 47.3° | 67.3° |
| N28 | C29 | C30 | H29 | 120.1° | 120.0° |
| N28 | C29 | C30 | H30 | 120.1° | 119.9° |
| C29 | N28 | C25 | C26 | 56.2° | 55.7° |
| C29 | N28 | C25 | C24 | 82.1° | 175.7° |
| N28 | C29 | C30 | H11 | 62.2° | 173.6° |
| N28 | C29 | C30 | H12 | 178.1° | 66.1° |
| C29 | N28 | C33 | H15 | 60.2° | 56.8° |
| C29 | N28 | C33 | H16 | 179.9° | 177.0° |
| C29 | N28 | C25 | H25 | 167.0° | 64.3° |
| N28 | C29 | H29 | H30 | 119.8° | 120.1° |
| C29 | C30 | H11 | H12 | 119.6° | 120.3° |
| C30 | C29 | H29 | H30 | 119.8° | 120.1° |
| C26 | C25 | C24 | H25 | 109.3° | 120.0° |
| C25 | C26 | C27 | H26 | 120.3° | 120.0° |
| C25 | C26 | C27 | H27 | 120.3° | 120.0° |
| C25 | C26 | C27 | C22 | 56.5° | 60.0° |
| C26 | C25 | C24 | C23 | 48.8° | 60.0° |
| C26 | C25 | C24 | H7 | 169.2° | 60.0° |
| C26 | C25 | C24 | H8 | 71.5° | 179.9° |
| C25 | C26 | C27 | H9 | 176.6° | 60.0° |
| C25 | C26 | C27 | H10 | 63.6° | 180.0° |
| C25 | C26 | H26 | H27 | 119.2° | 120.0° |
| C24 | C25 | C26 | C27 | 51.0° | 60.0° |
| C25 | C24 | C23 | H7 | 120.4° | 120.0° |
| C25 | C24 | C23 | H8 | 120.4° | 120.0° |
| C25 | C24 | C23 | C22 | 52.2° | 60.0° |
| C25 | C24 | H7 | H8 | 119.0° | 120.1° |
| C25 | C24 | C23 | H23 | 68.0° | 180.0° |
| C25 | C24 | C23 | H24 | 172.4° | 59.9° |
| C24 | C25 | C26 | H26 | 69.2° | 180.0° |
| C24 | C25 | C26 | H27 | 171.3° | 60.0° |
| C26 | C27 | C22 | H9 | 120.1° | 120.0° |
| C26 | C27 | C22 | H10 | 120.1° | 120.0° |
| C26 | C27 | C22 | C23 | 60.9° | 60.0° |
| C26 | C27 | C22 | N21 | 170.2° | 180.0° |
| C26 | C27 | C22 | H6 | 53.9° | 60.0° |
| C26 | C27 | H9 | H10 | 119.6° | 120.0° |
| C27 | C26 | C25 | H25 | 58.2° | 60.0° |
| C27 | C26 | H26 | H27 | 119.2° | 120.0° |
| N20 | C19 | C18 | C13 | 174.4° | 61.5° |
| N20 | C19 | C18 | H20 | 65.7° | 178.5° |
| N20 | C19 | C18 | H21 | 54.4° | 58.6° |
| C27 | C22 | C23 | C24 | 58.7° | 60.0° |
| C27 | C22 | C23 | N21 | 127.3° | 120.0° |
| C27 | C22 | C23 | H6 | 114.9° | 120.0° |
| C27 | C22 | N21 | H6 | 115.8° | 120.0° |
| C27 | C22 | N21 | C10 | 152.6° | 155.0° |
| C22 | C27 | H9 | H10 | 119.6° | 120.0° |
| C27 | C22 | N21 | H22 | 30.8° | 25.0° |
| C27 | C22 | C23 | H23 | 61.5° | 180.0° |
| C27 | C22 | C23 | H24 | 178.9° | 60.0° |
| C22 | C27 | C26 | H26 | 63.8° | 179.9° |
| C22 | C27 | C26 | H27 | 176.8° | 60.0° |
| C24 | C23 | C22 | H23 | 120.2° | 120.0° |
| C24 | C23 | C22 | H24 | 120.2° | 120.0° |
| C24 | C23 | C22 | N21 | 174.1° | 180.0° |
| C24 | C23 | C22 | H6 | 56.2° | 60.0° |
| C23 | C24 | H7 | H8 | 118.9° | 119.9° |
| C24 | C23 | H23 | H24 | 119.3° | 120.0° |
| C23 | C24 | C25 | H25 | 60.5° | 60.0° |
| C19 | C18 | C13 | H20 | 120.0° | 120.0° |
| C19 | C18 | C13 | H21 | 120.0° | 120.1° |
| C19 | C18 | C13 | N12 | 0.0° | 55.2° |
| C19 | C18 | C13 | C14 | 179.9° | 125.1° |
| C19 | C18 | H20 | H21 | 120.0° | 120.0° |
| C23 | C22 | N21 | H6 | 117.4° | 120.0° |
| C23 | C22 | N21 | C10 | 80.7° | 85.0° |
| C22 | C23 | C24 | H7 | 172.6° | 60.0° |
| C22 | C23 | C24 | H8 | 68.2° | 180.0° |
| C23 | C22 | C27 | H9 | 179.0° | 60.0° |
| C23 | C22 | C27 | H10 | 59.2° | 180.0° |
| C23 | C22 | N21 | H22 | 157.6° | 95.0° |
| C22 | C23 | H23 | H24 | 119.3° | 120.0° |
| C22 | N21 | C10 | H22 | 121.8° | 180.0° |
| C22 | N21 | C10 | C11 | 179.8° | 180.0° |
| C22 | N21 | C10 | N9 | 0.2° | 0.2° |
| N21 | C22 | C27 | H9 | 50.1° | 60.0° |
| N21 | C22 | C27 | H10 | 69.7° | 60.0° |
| N21 | C22 | C23 | H23 | 65.7° | 60.0° |
| N21 | C22 | C23 | H24 | 53.8° | 60.0° |
| N21 | C10 | C11 | N12 | 0.0° | 0.2° |
| N21 | C10 | C11 | N9 | 180.0° | 179.8° |
| N21 | C10 | C11 | C16 | 179.9° | 180.0° |
| N21 | C10 | N9 | C8 | 179.9° | 179.8° |
| C10 | N21 | C22 | H6 | 36.8° | 35.0° |
| C18 | C13 | N12 | C14 | 179.9° | 179.7° |
| C18 | C13 | N12 | C11 | 179.9° | 179.7° |
| C18 | C13 | C14 | C15 | 180.0° | 180.0° |
| C18 | C13 | C14 | H4 | 0.0° | 0.3° |
| C13 | C18 | H20 | H21 | 120.0° | 120.0° |
| C13 | N12 | C11 | C10 | 180.0° | 180.0° |
| C13 | N12 | C11 | C16 | 0.1° | 0.3° |
| N12 | C13 | C14 | C15 | 0.1° | 0.3° |
| N12 | C13 | C14 | H4 | 179.9° | 179.9° |
| N12 | C13 | C18 | H20 | 120.0° | 64.8° |
| N12 | C13 | C18 | H21 | 120.0° | 175.3° |
| N12 | C11 | C10 | C16 | 179.9° | 179.8° |
| N12 | C11 | C10 | N9 | 180.0° | 180.0° |
| C11 | N12 | C13 | C14 | 0.0° | 0.0° |
| N12 | C11 | C16 | C15 | 0.0° | 0.2° |
| N12 | C11 | C16 | N17 | 180.0° | 179.8° |
| C11 | C10 | N9 | C8 | 0.1° | 0.0° |
| C10 | C11 | C16 | C15 | 179.9° | 180.0° |
| C10 | C11 | C16 | N17 | 0.1° | 0.5° |
| C11 | C10 | N21 | H22 | 58.1° | 0.0° |
| N9 | C10 | C11 | C16 | 0.1° | 0.2° |
| C10 | N9 | C8 | N17 | 0.1° | 0.0° |
| C10 | N9 | C8 | N7 | 180.0° | 179.7° |
| N9 | C10 | N21 | H22 | 122.0° | 179.8° |
| C13 | C14 | C15 | H4 | 180.0° | 179.6° |
| C13 | C14 | C15 | C16 | 0.1° | 0.3° |
| C13 | C14 | C15 | H5 | 179.9° | 179.9° |
| C14 | C13 | C18 | H20 | 60.0° | 115.0° |
| C14 | C13 | C18 | H21 | 60.1° | 5.0° |
| C11 | C16 | C15 | C14 | 0.0° | 0.1° |
| C11 | C16 | C15 | N17 | 180.0° | 179.5° |
| C11 | C16 | N17 | C8 | 0.1° | 0.5° |
| C11 | C16 | C15 | H5 | 179.9° | 179.8° |
| N9 | C8 | N17 | C16 | 0.1° | 0.2° |
| N9 | C8 | N17 | N7 | 179.9° | 179.8° |
| N9 | C8 | N7 | C5 | 0.1° | 179.7° |
| N9 | C8 | N7 | H19 | 179.9° | 0.2° |
| N3 | C4 | C5 | H17 | 180.0° | 179.9° |
| N3 | C4 | C5 | N7 | 180.0° | 180.0° |
| N3 | C4 | C5 | C6 | 0.0° | 0.3° |
| C4 | N3 | N2 | C1 | 179.9° | 179.9° |
| C4 | N3 | N2 | C6 | 0.1° | 0.2° |
| C5 | C4 | N3 | N2 | 0.1° | 0.1° |
| C4 | C5 | N7 | C8 | 0.1° | 0.1° |
| C4 | C5 | N7 | C6 | 179.9° | 179.7° |
| C4 | C5 | C6 | N2 | 0.0° | 0.4° |
| C4 | C5 | C6 | H18 | 180.0° | 179.8° |
| C4 | C5 | N7 | H19 | 179.9° | 180.0° |
| N3 | N2 | C6 | C5 | 0.1° | 0.3° |
| N3 | N2 | C1 | C6 | 179.8° | 179.7° |
| N3 | N2 | C1 | H1 | 0.0° | 89.7° |
| N3 | N2 | C1 | H2 | 120.0° | 30.3° |
| N3 | N2 | C1 | H3 | 120.0° | 150.3° |
| N2 | N3 | C4 | H17 | 179.9° | 180.0° |
| N3 | N2 | C6 | H18 | 180.0° | 179.8° |
| C14 | C15 | C16 | H5 | 180.0° | 179.7° |
| C14 | C15 | C16 | N17 | 180.0° | 179.4° |
| C15 | C16 | N17 | C8 | 180.0° | 180.0° |
| C16 | C15 | C14 | H4 | 179.9° | 179.9° |
| C16 | N17 | C8 | N7 | 180.0° | 180.0° |
| N17 | C16 | C15 | H5 | 0.1° | 0.3° |
| N17 | C8 | N7 | C5 | 180.0° | 0.1° |
| N17 | C8 | N7 | H19 | 0.0° | 180.0° |
| C8 | N7 | C5 | H19 | 180.0° | 179.9° |
| C8 | N7 | C5 | C6 | 179.8° | 179.7° |
| N7 | C5 | C6 | N2 | 179.9° | 179.9° |
| N7 | C5 | C4 | H17 | 0.0° | 0.1° |
| N7 | C5 | C6 | H18 | 0.1° | 0.0° |
| C5 | C6 | N2 | C1 | 179.9° | 179.9° |
| C5 | C6 | N2 | H18 | 180.0° | 179.9° |
| C6 | C5 | C4 | H17 | 180.0° | 179.8° |
| C6 | C5 | N7 | H19 | 0.2° | 0.4° |
| N2 | C1 | H1 | H2 | 120.0° | 120.0° |
| N2 | C1 | H1 | H3 | 120.0° | 120.0° |
| N2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | N2 | C6 | H18 | 0.1° | 0.0° |
| C6 | N2 | C1 | H1 | 179.8° | 90.0° |
| C6 | N2 | C1 | H2 | 59.8° | 150.0° |
| C6 | N2 | C1 | H3 | 60.2° | 30.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C14 | C15 | H5 | 0.1° | 0.3° |
| H6 | C22 | C27 | H9 | 66.2° | 180.0° |
| H6 | C22 | C27 | H10 | 174.0° | 60.0° |
| H6 | C22 | N21 | H22 | 85.0° | 145.0° |
| H6 | C22 | C23 | H23 | 176.4° | 60.0° |
| H6 | C22 | C23 | H24 | 64.1° | 180.0° |
| H7 | C24 | C23 | H23 | 52.3° | 60.0° |
| H7 | C24 | C23 | H24 | 67.2° | 180.0° |
| H7 | C24 | C25 | H25 | 59.9° | 180.0° |
| H8 | C24 | C23 | H23 | 171.6° | 60.0° |
| H8 | C24 | C23 | H24 | 52.1° | 60.0° |
| H8 | C24 | C25 | H25 | 179.2° | 59.9° |
| H9 | C27 | C26 | H26 | 56.3° | 60.0° |
| H9 | C27 | C26 | H27 | 63.1° | 180.0° |
| H10 | C27 | C26 | H26 | 176.1° | 60.1° |
| H10 | C27 | C26 | H27 | 56.6° | 60.0° |
| H11 | C30 | C29 | H29 | 177.7° | 66.4° |
| H11 | C30 | C29 | H30 | 57.9° | 53.7° |
| H12 | C30 | C29 | H29 | 58.0° | 53.8° |
| H12 | C30 | C29 | H30 | 61.9° | 174.0° |
| H13 | C32 | C33 | H15 | 174.9° | 174.2° |
| H13 | C32 | C33 | H16 | 55.2° | 54.1° |
| H14 | C32 | C33 | H15 | 55.2° | 53.6° |
| H14 | C32 | C33 | H16 | 64.6° | 66.5° |
| H25 | C25 | C26 | H26 | 178.5° | 60.0° |
| H25 | C25 | C26 | H27 | 62.1° | NaN° |
| H31 | C37 | H32 | H33 | 120.0° | 119.9° |
