KJ4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N13 | C12 | doub | 1.30Å | 1.46Å | |
| N14 | C12 | sing | 1.37Å | 1.26Å | |
| C12 | N11 | sing | 1.37Å | 1.46Å | |
| N11 | C10 | sing | 1.47Å | 1.46Å | |
| C10 | C09 | sing | 1.53Å | 1.54Å | |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C08 | C07 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C16 | N15 | sing | 1.47Å | 1.45Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C07 | N15 | sing | 1.47Å | 1.45Å | |
| C07 | C06 | sing | 1.54Å | 1.51Å | |
| C24 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| N15 | C25 | sing | 1.37Å | 1.48Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C06 | N05 | sing | 1.47Å | 1.45Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C25 | N05 | sing | 1.37Å | 1.48Å | |
| C25 | N26 | doub | 1.30Å | 1.26Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| N05 | C04 | sing | 1.46Å | 1.46Å | |
| C04 | C03 | sing | 1.53Å | 1.53Å | |
| N34 | C33 | sing | 1.39Å | 1.26Å | |
| C03 | N02 | sing | 1.47Å | 1.46Å | |
| C33 | N29 | sing | 1.36Å | 1.48Å | Aromatic |
| C33 | N32 | doub | 1.31Å | 1.48Å | Aromatic |
| C28 | N29 | sing | 1.46Å | 1.46Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| N29 | C30 | sing | 1.38Å | 1.45Å | Aromatic |
| N32 | C31 | sing | 1.34Å | 1.45Å | Aromatic |
| N02 | C27 | sing | 1.47Å | 1.46Å | |
| N02 | C01 | sing | 1.47Å | 1.46Å | |
| C30 | C31 | doub | 1.34Å | 1.50Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C01 | H16 | sing | 1.09Å | 1.10Å | |
| C01 | H17 | sing | 1.09Å | 1.10Å | |
| C03 | H18 | sing | 1.09Å | 1.10Å | |
| C03 | H19 | sing | 1.09Å | 1.10Å | |
| C04 | H20 | sing | 1.09Å | 1.10Å | |
| C04 | H21 | sing | 1.09Å | 1.10Å | |
| C06 | H22 | sing | 1.09Å | 1.10Å | |
| C06 | H23 | sing | 1.09Å | 1.10Å | |
| C07 | H24 | sing | 1.09Å | 1.10Å | |
| C08 | H25 | sing | 1.09Å | 1.10Å | |
| C08 | H26 | sing | 1.09Å | 1.10Å | |
| C09 | H27 | sing | 1.09Å | 1.10Å | |
| C09 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | H38 | sing | 1.08Å | 1.08Å | |
| C31 | H39 | sing | 1.08Å | 1.08Å | |
| N11 | H41 | sing | 0.97Å | 1.00Å | |
| N13 | H42 | sing | 0.97Å | 1.00Å | |
| N14 | H43 | sing | 0.97Å | 1.00Å | |
| N14 | H44 | sing | 0.97Å | 1.00Å | |
| N26 | H45 | sing | 0.97Å | 1.00Å | |
| N34 | H46 | sing | 0.97Å | 1.00Å | |
| N34 | H47 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N13 | C12 | N14 | 120.4° | 120.0° |
| N13 | C12 | N11 | 118.7° | 120.0° |
| C12 | N13 | H42 | 112.0° | 120.0° |
| N14 | C12 | N11 | 121.0° | 120.0° |
| C12 | N14 | H43 | 120.0° | 120.0° |
| C12 | N14 | H44 | 120.0° | 120.0° |
| C12 | N11 | C10 | 118.9° | 120.0° |
| C12 | N11 | H41 | 120.6° | 120.0° |
| N11 | C10 | C09 | 111.4° | 109.5° |
| N11 | C10 | H1 | 109.0° | 109.5° |
| N11 | C10 | H2 | 109.0° | 109.5° |
| C10 | N11 | H41 | 120.5° | 120.0° |
| C10 | C09 | C08 | 114.3° | 109.4° |
| C09 | C10 | H1 | 109.0° | 109.5° |
| C09 | C10 | H2 | 109.0° | 109.5° |
| C10 | C09 | H27 | 108.3° | 109.4° |
| C10 | C09 | H28 | 108.2° | 109.5° |
| C09 | C08 | C07 | 110.6° | 109.5° |
| C09 | C08 | H25 | 109.2° | 109.5° |
| C09 | C08 | H26 | 109.2° | 109.5° |
| C08 | C09 | H27 | 108.2° | 109.5° |
| C08 | C09 | H28 | 108.3° | 109.5° |
| C08 | C07 | N15 | 113.9° | 110.4° |
| C08 | C07 | C06 | 111.9° | 110.4° |
| C08 | C07 | H24 | 107.0° | 110.5° |
| C07 | C08 | H25 | 109.2° | 109.5° |
| C07 | C08 | H26 | 109.2° | 109.4° |
| C16 | C17 | C18 | 114.7° | 109.5° |
| C17 | C16 | N15 | 107.0° | 109.5° |
| C16 | C17 | H3 | 108.1° | 109.4° |
| C16 | C17 | H4 | 108.1° | 109.5° |
| C17 | C16 | H29 | 110.1° | 109.5° |
| C17 | C16 | H30 | 110.1° | 109.5° |
| C17 | C18 | C19 | 113.4° | 109.5° |
| C18 | C17 | H3 | 108.1° | 109.5° |
| C18 | C17 | H4 | 108.2° | 109.5° |
| C17 | C18 | H31 | 108.5° | 109.4° |
| C17 | C18 | H32 | 108.5° | 109.5° |
| C16 | N15 | C07 | 126.2° | 125.5° |
| C16 | N15 | C25 | 126.3° | 125.5° |
| N15 | C16 | H29 | 110.1° | 109.5° |
| N15 | C16 | H30 | 110.1° | 109.4° |
| C24 | C23 | C22 | 111.2° | 109.5° |
| C23 | C24 | C19 | 113.7° | 109.4° |
| C23 | C24 | H11 | 108.4° | 109.4° |
| C23 | C24 | H12 | 108.4° | 109.5° |
| C24 | C23 | H34 | 109.0° | 109.5° |
| C24 | C23 | H35 | 109.0° | 109.5° |
| C23 | C22 | C21 | 110.4° | 109.4° |
| C23 | C22 | H9 | 109.2° | 109.5° |
| C23 | C22 | H10 | 109.2° | 109.5° |
| C22 | C23 | H34 | 109.0° | 109.5° |
| C22 | C23 | H35 | 109.1° | 109.4° |
| N15 | C07 | C06 | 108.3° | 104.6° |
| C07 | N15 | C25 | 107.5° | 109.0° |
| N15 | C07 | H24 | 108.0° | 110.4° |
| C07 | C06 | N05 | 107.6° | 104.6° |
| C07 | C06 | H22 | 110.0° | 110.4° |
| C07 | C06 | H23 | 110.0° | 110.5° |
| C06 | C07 | H24 | 107.3° | 110.4° |
| C24 | C19 | C18 | 110.5° | 109.5° |
| C24 | C19 | C20 | 113.2° | 109.5° |
| C19 | C24 | H11 | 108.4° | 109.4° |
| C19 | C24 | H12 | 108.4° | 109.4° |
| C24 | C19 | H33 | 107.4° | 109.5° |
| C18 | C19 | C20 | 110.8° | 109.5° |
| C19 | C18 | H31 | 108.5° | 109.5° |
| C19 | C18 | H32 | 108.5° | 109.5° |
| C18 | C19 | H33 | 107.4° | 109.5° |
| N15 | C25 | N05 | 108.4° | 112.8° |
| N15 | C25 | N26 | 126.7° | 123.6° |
| C19 | C20 | C21 | 115.3° | 109.4° |
| C19 | C20 | H5 | 108.0° | 109.5° |
| C19 | C20 | H6 | 108.0° | 109.4° |
| C20 | C19 | H33 | 107.3° | 109.5° |
| C06 | N05 | C25 | 108.2° | 109.0° |
| C06 | N05 | C04 | 127.2° | 125.5° |
| N05 | C06 | H22 | 110.0° | 110.5° |
| N05 | C06 | H23 | 109.9° | 110.4° |
| C22 | C21 | C20 | 111.9° | 109.5° |
| C22 | C21 | H7 | 108.9° | 109.5° |
| C22 | C21 | H8 | 108.9° | 109.4° |
| C21 | C22 | H9 | 109.3° | 109.4° |
| C21 | C22 | H10 | 109.2° | 109.5° |
| N05 | C25 | N26 | 124.8° | 123.6° |
| C25 | N05 | C04 | 124.6° | 125.5° |
| C25 | N26 | H45 | 112.0° | 120.0° |
| C21 | C20 | H5 | 108.0° | 109.5° |
| C21 | C20 | H6 | 108.0° | 109.5° |
| C20 | C21 | H7 | 108.9° | 109.5° |
| C20 | C21 | H8 | 108.8° | 109.4° |
| N05 | C04 | C03 | 110.4° | 109.5° |
| N05 | C04 | H20 | 109.3° | 109.5° |
| N05 | C04 | H21 | 109.2° | 109.5° |
| C04 | C03 | N02 | 112.3° | 109.5° |
| C04 | C03 | H18 | 108.8° | 109.5° |
| C04 | C03 | H19 | 108.8° | 109.4° |
| C03 | C04 | H20 | 109.2° | 109.4° |
| C03 | C04 | H21 | 109.2° | 109.5° |
| N34 | C33 | N29 | 125.5° | 125.8° |
| N34 | C33 | N32 | 126.2° | 125.8° |
| C33 | N34 | H46 | 109.5° | 120.0° |
| C33 | N34 | H47 | 109.5° | 120.0° |
| C03 | N02 | C27 | 109.0° | 111.0° |
| C03 | N02 | C01 | 110.6° | 111.0° |
| N02 | C03 | H18 | 108.8° | 109.5° |
| N02 | C03 | H19 | 108.8° | 109.5° |
| N29 | C33 | N32 | 108.3° | 108.4° |
| C33 | N29 | C28 | 125.6° | 126.5° |
| C33 | N29 | C30 | 107.8° | 107.0° |
| C33 | N32 | C31 | 107.9° | 109.3° |
| N29 | C28 | C27 | 112.0° | 109.5° |
| C28 | N29 | C30 | 126.5° | 126.5° |
| N29 | C28 | H13 | 108.8° | 109.5° |
| N29 | C28 | H14 | 108.8° | 109.5° |
| C28 | C27 | N02 | 110.7° | 109.5° |
| C27 | C28 | H13 | 108.8° | 109.4° |
| C27 | C28 | H14 | 108.8° | 109.5° |
| C28 | C27 | H36 | 109.2° | 109.5° |
| C28 | C27 | H37 | 109.1° | 109.4° |
| N29 | C30 | C31 | 108.0° | 107.0° |
| N29 | C30 | H38 | 126.0° | 126.5° |
| N32 | C31 | C30 | 108.0° | 108.3° |
| N32 | C31 | H39 | 126.0° | 125.8° |
| C27 | N02 | C01 | 109.8° | 111.0° |
| N02 | C27 | H36 | 109.1° | 109.5° |
| N02 | C27 | H37 | 109.2° | 109.5° |
| N02 | C01 | H15 | 109.5° | 109.5° |
| N02 | C01 | H16 | 109.5° | 109.5° |
| N02 | C01 | H17 | 109.5° | 109.5° |
| C31 | C30 | H38 | 126.0° | 126.5° |
| C30 | C31 | H39 | 126.0° | 125.9° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C17 | H4 | 109.5° | 109.5° |
| H5 | C20 | H6 | 109.5° | 109.5° |
| H7 | C21 | H8 | 109.5° | 109.5° |
| H9 | C22 | H10 | 109.4° | 109.5° |
| H11 | C24 | H12 | 109.4° | 109.6° |
| H13 | C28 | H14 | 109.5° | 109.5° |
| H15 | C01 | H16 | 109.5° | 109.5° |
| H15 | C01 | H17 | 109.4° | 109.5° |
| H16 | C01 | H17 | 109.5° | 109.4° |
| H18 | C03 | H19 | 109.4° | 109.5° |
| H20 | C04 | H21 | 109.5° | 109.5° |
| H22 | C06 | H23 | 109.4° | 110.4° |
| H25 | C08 | H26 | 109.5° | 109.5° |
| H27 | C09 | H28 | 109.5° | 109.5° |
| H29 | C16 | H30 | 109.4° | 109.5° |
| H31 | C18 | H32 | 109.5° | 109.5° |
| H34 | C23 | H35 | 109.5° | 109.5° |
| H36 | C27 | H37 | 109.5° | 109.4° |
| H43 | N14 | H44 | 120.0° | 120.0° |
| H46 | N34 | H47 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N13 | C12 | N14 | N11 | 179.8° | 179.9° |
| N13 | C12 | N11 | C10 | 0.3° | 180.0° |
| N13 | C12 | N11 | H41 | 179.7° | 0.0° |
| N13 | C12 | N14 | H43 | 179.8° | 180.0° |
| N13 | C12 | N14 | H44 | 0.2° | 0.0° |
| N14 | C12 | N11 | C10 | 179.4° | 0.1° |
| N14 | C12 | N11 | H41 | 0.6° | 180.0° |
| N14 | C12 | N13 | H42 | 179.8° | 180.0° |
| C12 | N14 | H43 | H44 | 180.0° | 180.0° |
| C12 | N11 | C10 | H41 | 180.0° | 180.0° |
| C12 | N11 | C10 | C09 | 166.8° | 180.0° |
| C12 | N11 | C10 | H1 | 73.0° | 60.0° |
| C12 | N11 | C10 | H2 | 46.5° | 60.0° |
| N11 | C12 | N13 | H42 | 0.0° | 0.0° |
| N11 | C12 | N14 | H43 | 0.0° | 0.1° |
| N11 | C12 | N14 | H44 | 180.0° | 180.0° |
| N11 | C10 | C09 | H1 | 120.3° | 120.0° |
| N11 | C10 | C09 | H2 | 120.3° | 120.0° |
| N11 | C10 | C09 | C08 | 141.2° | 180.0° |
| N11 | C10 | H1 | H2 | 119.1° | 120.0° |
| N11 | C10 | C09 | H27 | 20.5° | 60.1° |
| N11 | C10 | C09 | H28 | 98.1° | 60.0° |
| C10 | C09 | C08 | H27 | 120.7° | 119.9° |
| C10 | C09 | C08 | H28 | 120.7° | 120.0° |
| C10 | C09 | C08 | C07 | 150.8° | 174.9° |
| C09 | C10 | H1 | H2 | 119.1° | 120.0° |
| C10 | C09 | C08 | H25 | 89.0° | 54.9° |
| C10 | C09 | C08 | H26 | 30.6° | 65.1° |
| C10 | C09 | H27 | H28 | 117.8° | 120.0° |
| C09 | C10 | N11 | H41 | 13.3° | 0.0° |
| C09 | C08 | C07 | H25 | 120.2° | 120.0° |
| C09 | C08 | C07 | H26 | 120.2° | 120.0° |
| C09 | C08 | C07 | N15 | 175.3° | 174.6° |
| C09 | C08 | C07 | C06 | 61.3° | 70.2° |
| C08 | C09 | C10 | H1 | 98.6° | 60.0° |
| C08 | C09 | C10 | H2 | 20.9° | 60.0° |
| C09 | C08 | C07 | H24 | 56.0° | 52.2° |
| C09 | C08 | H25 | H26 | 119.5° | 120.1° |
| C08 | C09 | H27 | H28 | 117.8° | 120.0° |
| C08 | C07 | N15 | C16 | 55.5° | 61.2° |
| C08 | C07 | N15 | C06 | 125.3° | 118.8° |
| C08 | C07 | N15 | H24 | 118.7° | 122.4° |
| C08 | C07 | C06 | H24 | 117.1° | 122.5° |
| C08 | C07 | N15 | C25 | 127.7° | 118.8° |
| C08 | C07 | C06 | N05 | 128.9° | 118.8° |
| C08 | C07 | C06 | H22 | 111.4° | 122.4° |
| C08 | C07 | C06 | H23 | 9.2° | 0.0° |
| C07 | C08 | H25 | H26 | 119.5° | 119.9° |
| C07 | C08 | C09 | H27 | 30.1° | 55.0° |
| C07 | C08 | C09 | H28 | 88.5° | 65.0° |
| C16 | C17 | C18 | H3 | 120.8° | 120.0° |
| C16 | C17 | C18 | H4 | 120.8° | 120.0° |
| C17 | C16 | N15 | H29 | 119.6° | 120.0° |
| C17 | C16 | N15 | H30 | 119.6° | 120.0° |
| C17 | C16 | N15 | C07 | 67.5° | 88.1° |
| C16 | C17 | C18 | C19 | 121.5° | NaN° |
| C17 | C16 | N15 | C25 | 108.8° | 91.8° |
| C16 | C17 | H3 | H4 | 117.6° | 120.0° |
| C17 | C16 | H29 | H30 | 121.2° | 120.0° |
| C16 | C17 | C18 | H31 | 0.8° | 60.0° |
| C16 | C17 | C18 | H32 | 118.0° | 60.0° |
| C18 | C17 | C16 | N15 | 107.8° | 180.0° |
| C17 | C18 | C19 | C24 | 85.5° | 175.0° |
| C17 | C18 | C19 | H31 | 120.6° | 120.0° |
| C17 | C18 | C19 | H32 | 120.6° | 120.0° |
| C17 | C18 | C19 | C20 | 148.3° | 65.0° |
| C18 | C17 | H3 | H4 | 117.6° | 120.0° |
| C18 | C17 | C16 | H29 | 132.5° | 60.0° |
| C18 | C17 | C16 | H30 | 11.8° | 60.0° |
| C17 | C18 | H31 | H32 | 118.2° | 120.0° |
| C17 | C18 | C19 | H33 | 31.4° | 55.0° |
| C16 | N15 | C07 | C25 | 176.8° | 180.0° |
| C16 | N15 | C07 | C06 | 179.2° | 179.9° |
| C16 | N15 | C25 | N05 | 178.3° | 180.0° |
| C16 | N15 | C25 | N26 | 1.6° | 0.0° |
| N15 | C16 | C17 | H3 | 131.4° | 60.0° |
| N15 | C16 | C17 | H4 | 12.9° | 60.0° |
| C16 | N15 | C07 | H24 | 63.3° | 61.2° |
| N15 | C16 | H29 | H30 | 121.1° | 120.0° |
| C24 | C23 | C22 | H34 | 120.2° | 120.1° |
| C24 | C23 | C22 | H35 | 120.3° | 120.0° |
| C23 | C24 | C19 | H11 | 120.7° | 119.9° |
| C23 | C24 | C19 | H12 | 120.6° | 120.0° |
| C23 | C24 | C19 | C18 | 80.6° | 180.0° |
| C23 | C24 | C19 | C20 | 44.3° | 60.0° |
| C24 | C23 | C22 | C21 | 59.4° | 60.0° |
| C24 | C23 | C22 | H9 | 179.5° | 180.0° |
| C24 | C23 | C22 | H10 | 60.8° | 59.9° |
| C23 | C24 | H11 | H12 | 118.1° | 120.1° |
| C23 | C24 | C19 | H33 | 162.6° | 60.0° |
| C24 | C23 | H34 | H35 | 119.2° | 120.0° |
| C22 | C23 | C24 | C19 | 53.8° | 60.0° |
| C23 | C22 | C21 | H9 | 120.2° | 120.0° |
| C23 | C22 | C21 | H10 | 120.1° | 120.0° |
| C23 | C22 | C21 | C20 | 56.3° | 60.0° |
| C23 | C22 | C21 | H7 | 64.1° | 60.0° |
| C23 | C22 | C21 | H8 | 176.6° | 180.0° |
| C23 | C22 | H9 | H10 | 119.5° | 120.1° |
| C22 | C23 | C24 | H11 | 66.9° | 59.9° |
| C22 | C23 | C24 | H12 | 174.4° | 180.0° |
| C22 | C23 | H34 | H35 | 119.2° | 119.9° |
| N15 | C07 | C06 | H24 | 116.4° | 118.8° |
| N15 | C07 | C06 | N05 | 2.5° | 0.0° |
| C07 | N15 | C25 | N05 | 1.5° | 0.0° |
| C07 | N15 | C25 | N26 | 178.5° | 180.0° |
| N15 | C07 | C06 | H22 | 122.2° | 118.8° |
| N15 | C07 | C06 | H23 | 117.2° | 118.8° |
| N15 | C07 | C08 | H25 | 64.5° | 54.6° |
| N15 | C07 | C08 | H26 | 55.1° | 65.4° |
| C07 | N15 | C16 | H29 | 52.2° | 31.9° |
| C07 | N15 | C16 | H30 | 172.9° | 151.9° |
| C06 | C07 | N15 | C25 | 2.4° | 0.0° |
| C07 | C06 | N05 | H22 | 119.7° | 118.8° |
| C07 | C06 | N05 | H23 | 119.7° | 118.8° |
| C07 | C06 | N05 | C25 | 1.5° | 0.0° |
| C07 | C06 | N05 | C04 | 179.2° | 179.9° |
| C07 | C06 | H22 | H23 | 120.9° | 122.5° |
| C06 | C07 | C08 | H25 | 58.8° | 169.8° |
| C06 | C07 | C08 | H26 | 178.5° | 49.8° |
| C24 | C19 | C18 | C20 | 126.3° | 120.0° |
| C24 | C19 | C18 | H33 | 116.8° | 120.0° |
| C24 | C19 | C20 | H33 | 118.3° | 120.0° |
| C24 | C19 | C20 | C21 | 41.7° | 60.0° |
| C24 | C19 | C20 | H5 | 79.1° | 60.0° |
| C24 | C19 | C20 | H6 | 162.6° | 180.0° |
| C19 | C24 | H11 | H12 | 118.0° | 120.0° |
| C24 | C19 | C18 | H31 | 154.0° | 65.0° |
| C24 | C19 | C18 | H32 | 35.1° | 55.0° |
| C19 | C24 | C23 | H34 | 66.5° | 60.0° |
| C19 | C24 | C23 | H35 | 174.1° | 180.0° |
| C18 | C19 | C20 | H33 | 116.9° | 120.0° |
| C18 | C19 | C20 | C21 | 83.0° | 180.0° |
| C19 | C18 | C17 | H3 | 117.8° | 60.0° |
| C19 | C18 | C17 | H4 | 0.7° | 60.0° |
| C18 | C19 | C20 | H5 | 156.1° | 60.0° |
| C18 | C19 | C20 | H6 | 37.8° | 60.0° |
| C18 | C19 | C24 | H11 | 158.7° | 60.1° |
| C18 | C19 | C24 | H12 | 40.0° | 60.0° |
| C19 | C18 | H31 | H32 | 118.3° | 120.0° |
| N15 | C25 | N05 | C06 | 0.0° | 0.0° |
| N15 | C25 | N05 | N26 | 180.0° | 180.0° |
| N15 | C25 | N05 | C04 | 179.4° | 179.9° |
| C25 | N15 | C07 | H24 | 113.6° | 118.8° |
| C25 | N15 | C16 | H29 | 131.6° | 148.1° |
| C25 | N15 | C16 | H30 | 10.9° | 28.1° |
| N15 | C25 | N26 | H45 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 48.1° | 60.1° |
| C19 | C20 | C21 | H5 | 120.8° | 120.0° |
| C19 | C20 | C21 | H6 | 120.9° | 119.9° |
| C19 | C20 | H5 | H6 | 117.3° | 119.9° |
| C19 | C20 | C21 | H7 | 72.2° | 60.0° |
| C19 | C20 | C21 | H8 | 168.5° | 180.0° |
| C20 | C19 | C24 | H11 | 76.3° | 59.9° |
| C20 | C19 | C24 | H12 | 165.0° | 180.0° |
| C20 | C19 | C18 | H31 | 27.7° | 55.0° |
| C20 | C19 | C18 | H32 | 91.1° | 175.0° |
| C06 | N05 | C25 | C04 | 179.4° | 179.9° |
| C06 | N05 | C25 | N26 | 180.0° | 180.0° |
| C06 | N05 | C04 | C03 | 105.5° | 90.0° |
| C06 | N05 | C04 | H20 | 14.7° | 29.9° |
| C06 | N05 | C04 | H21 | 134.4° | 149.9° |
| N05 | C06 | H22 | H23 | 120.8° | 122.4° |
| N05 | C06 | C07 | H24 | 113.9° | 118.8° |
| C22 | C21 | C20 | H7 | 120.4° | 120.1° |
| C22 | C21 | C20 | H8 | 120.4° | 119.9° |
| C22 | C21 | C20 | H5 | 72.7° | 60.0° |
| C22 | C21 | C20 | H6 | 169.0° | 180.0° |
| C22 | C21 | H7 | H8 | 118.9° | 120.0° |
| C21 | C22 | H9 | H10 | 119.6° | 120.0° |
| C21 | C22 | C23 | H34 | 60.9° | 60.0° |
| C21 | C22 | C23 | H35 | 179.6° | 180.0° |
| C25 | N05 | C04 | C03 | 75.3° | 90.1° |
| C25 | N05 | C04 | H20 | 164.6° | 150.0° |
| C25 | N05 | C04 | H21 | 44.8° | 30.0° |
| C25 | N05 | C06 | H22 | 121.2° | 118.8° |
| C25 | N05 | C06 | H23 | 118.2° | 118.9° |
| N05 | C25 | N26 | H45 | 0.0° | 0.0° |
| N26 | C25 | N05 | C04 | 0.6° | 0.1° |
| C21 | C20 | H5 | H6 | 117.3° | 120.1° |
| C20 | C21 | H7 | H8 | 118.9° | 120.0° |
| C20 | C21 | C22 | H9 | 176.4° | 180.0° |
| C20 | C21 | C22 | H10 | 63.9° | 59.9° |
| C21 | C20 | C19 | H33 | 160.0° | 60.0° |
| N05 | C04 | C03 | H20 | 120.1° | 120.0° |
| N05 | C04 | C03 | H21 | 120.1° | 120.0° |
| N05 | C04 | C03 | N02 | 95.2° | 180.0° |
| N05 | C04 | C03 | H18 | 25.3° | 60.0° |
| N05 | C04 | C03 | H19 | 144.4° | 60.0° |
| N05 | C04 | H20 | H21 | 119.6° | 120.0° |
| C04 | N05 | C06 | H22 | 59.4° | 61.1° |
| C04 | N05 | C06 | H23 | 61.1° | 61.2° |
| C04 | C03 | N02 | H18 | 120.4° | 120.0° |
| C04 | C03 | N02 | H19 | 120.4° | 119.9° |
| C04 | C03 | N02 | C27 | 160.6° | 170.0° |
| C04 | C03 | N02 | C01 | 78.5° | 66.0° |
| C04 | C03 | H18 | H19 | 118.7° | 120.0° |
| C03 | C04 | H20 | H21 | 119.6° | 120.0° |
| N34 | C33 | N29 | N32 | 179.6° | 179.7° |
| N34 | C33 | N29 | C28 | 0.5° | 0.0° |
| N34 | C33 | N29 | C30 | 180.0° | 180.0° |
| N34 | C33 | N32 | C31 | 179.8° | 179.8° |
| C33 | N34 | H46 | H47 | 120.0° | 180.0° |
| C03 | N02 | C27 | C28 | 95.3° | 170.0° |
| C03 | N02 | C27 | C01 | 121.3° | 124.0° |
| C03 | N02 | C01 | H15 | 180.0° | 60.0° |
| C03 | N02 | C01 | H16 | 60.0° | 180.0° |
| C03 | N02 | C01 | H17 | 60.0° | 60.1° |
| N02 | C03 | H18 | H19 | 118.7° | 120.0° |
| N02 | C03 | C04 | H20 | 144.7° | 60.0° |
| N02 | C03 | C04 | H21 | 25.0° | 60.0° |
| C03 | N02 | C27 | H36 | 144.6° | 70.0° |
| C03 | N02 | C27 | H37 | 24.9° | 50.0° |
| C33 | N29 | C28 | C30 | 179.3° | 180.0° |
| C33 | N29 | C28 | C27 | 94.4° | 85.0° |
| N29 | C33 | N32 | C31 | 0.2° | 0.4° |
| C33 | N29 | C30 | C31 | 0.4° | 0.0° |
| C33 | N29 | C28 | H13 | 26.0° | 34.9° |
| C33 | N29 | C28 | H14 | 145.2° | 155.0° |
| C33 | N29 | C30 | H38 | 179.6° | 179.8° |
| N29 | C33 | N34 | H46 | 179.6° | 0.0° |
| N29 | C33 | N34 | H47 | 60.4° | 180.0° |
| N32 | C33 | N29 | C28 | 179.8° | 179.7° |
| N32 | C33 | N29 | C30 | 0.4° | 0.3° |
| C33 | N32 | C31 | C30 | 0.0° | 0.4° |
| C33 | N32 | C31 | H39 | 180.0° | 179.6° |
| N32 | C33 | N34 | H46 | 0.0° | 179.7° |
| N32 | C33 | N34 | H47 | 120.0° | 0.3° |
| N29 | C28 | C27 | H13 | 120.4° | 120.0° |
| N29 | C28 | C27 | H14 | 120.4° | 120.0° |
| N29 | C28 | C27 | N02 | 177.4° | 180.0° |
| C28 | N29 | C30 | C31 | 179.8° | 180.0° |
| N29 | C28 | H13 | H14 | 118.8° | 120.0° |
| N29 | C28 | C27 | H36 | 62.4° | 60.0° |
| N29 | C28 | C27 | H37 | 57.2° | 60.0° |
| C28 | N29 | C30 | H38 | 0.1° | 0.2° |
| C27 | C28 | N29 | C30 | 86.3° | 95.0° |
| C28 | C27 | N02 | H36 | 120.2° | 120.0° |
| C28 | C27 | N02 | H37 | 120.2° | 120.0° |
| C28 | C27 | N02 | C01 | 143.4° | 66.1° |
| C27 | C28 | H13 | H14 | 118.9° | 120.0° |
| C28 | C27 | H36 | H37 | 119.4° | 120.0° |
| N29 | C30 | C31 | N32 | 0.3° | 0.3° |
| N29 | C30 | C31 | H38 | 180.0° | 179.7° |
| C30 | N29 | C28 | H13 | 153.4° | 145.1° |
| C30 | N29 | C28 | H14 | 34.1° | 25.0° |
| N29 | C30 | C31 | H39 | 179.7° | 179.7° |
| N32 | C31 | C30 | H39 | 180.0° | 180.0° |
| N32 | C31 | C30 | H38 | 179.7° | 180.0° |
| N02 | C27 | C28 | H13 | 57.0° | 60.0° |
| N02 | C27 | C28 | H14 | 62.3° | 60.0° |
| C27 | N02 | C01 | H15 | 59.7° | 176.0° |
| C27 | N02 | C01 | H16 | 60.3° | 56.0° |
| C27 | N02 | C01 | H17 | 179.6° | 63.9° |
| C27 | N02 | C03 | H18 | 40.2° | 50.0° |
| C27 | N02 | C03 | H19 | 78.9° | 70.0° |
| N02 | C27 | H36 | H37 | 119.5° | 120.0° |
| N02 | C01 | H15 | H16 | 120.0° | 120.0° |
| N02 | C01 | H15 | H17 | 120.0° | 120.0° |
| N02 | C01 | H16 | H17 | 120.0° | 119.9° |
| C01 | N02 | C03 | H18 | 161.1° | 174.0° |
| C01 | N02 | C03 | H19 | 41.9° | 54.0° |
| C01 | N02 | C27 | H36 | 23.2° | 54.0° |
| C01 | N02 | C27 | H37 | 96.4° | 174.0° |
| H1 | C10 | C09 | H27 | 140.7° | 59.9° |
| H1 | C10 | C09 | H28 | 22.2° | 180.0° |
| H1 | C10 | N11 | H41 | 107.0° | 120.0° |
| H2 | C10 | C09 | H27 | 99.8° | 180.0° |
| H2 | C10 | C09 | H28 | 141.6° | 60.0° |
| H2 | C10 | N11 | H41 | 133.6° | 120.0° |
| H3 | C17 | C16 | H29 | 11.8° | 60.1° |
| H3 | C17 | C16 | H30 | 109.0° | 180.0° |
| H3 | C17 | C18 | H31 | 121.6° | 180.0° |
| H3 | C17 | C18 | H32 | 2.8° | 60.0° |
| H4 | C17 | C16 | H29 | 106.7° | 180.0° |
| H4 | C17 | C16 | H30 | 132.6° | 60.0° |
| H4 | C17 | C18 | H31 | 119.9° | 60.0° |
| H4 | C17 | C18 | H32 | 121.3° | 180.0° |
| H5 | C20 | C21 | H7 | 166.9° | 180.0° |
| H5 | C20 | C21 | H8 | 47.6° | 60.0° |
| H5 | C20 | C19 | H33 | 39.2° | 179.9° |
| H6 | C20 | C21 | H7 | 48.6° | 59.9° |
| H6 | C20 | C21 | H8 | 70.7° | 60.1° |
| H6 | C20 | C19 | H33 | 79.1° | 60.0° |
| H7 | C21 | C22 | H9 | 56.1° | 60.0° |
| H7 | C21 | C22 | H10 | 175.8° | 180.0° |
| H8 | C21 | C22 | H9 | 63.2° | 60.0° |
| H8 | C21 | C22 | H10 | 56.5° | 60.0° |
| H9 | C22 | C23 | H34 | 59.3° | 59.9° |
| H9 | C22 | C23 | H35 | 60.2° | 60.0° |
| H10 | C22 | C23 | H34 | 179.0° | NaN° |
| H10 | C22 | C23 | H35 | 59.5° | 60.1° |
| H11 | C24 | C19 | H33 | 41.9° | 179.9° |
| H11 | C24 | C23 | H34 | 172.9° | 179.9° |
| H11 | C24 | C23 | H35 | 53.4° | 60.1° |
| H12 | C24 | C19 | H33 | 76.8° | 60.0° |
| H12 | C24 | C23 | H34 | 54.2° | 59.9° |
| H12 | C24 | C23 | H35 | 65.3° | 60.1° |
| H13 | C28 | C27 | H36 | 177.2° | 60.0° |
| H13 | C28 | C27 | H37 | 63.2° | 180.0° |
| H14 | C28 | C27 | H36 | 57.9° | 180.0° |
| H14 | C28 | C27 | H37 | 177.5° | 60.0° |
| H15 | C01 | H16 | H17 | 120.0° | 120.0° |
| H18 | C03 | C04 | H20 | 94.9° | 60.0° |
| H18 | C03 | C04 | H21 | 145.4° | 180.0° |
| H19 | C03 | C04 | H20 | 24.2° | NaN° |
| H19 | C03 | C04 | H21 | 95.5° | 60.0° |
| H22 | C06 | C07 | H24 | 5.8° | 0.0° |
| H23 | C06 | C07 | H24 | 126.4° | 122.4° |
| H24 | C07 | C08 | H25 | 176.2° | 67.8° |
| H24 | C07 | C08 | H26 | 64.2° | 172.2° |
| H25 | C08 | C09 | H27 | 150.2° | 65.0° |
| H25 | C08 | C09 | H28 | 31.7° | 175.0° |
| H26 | C08 | C09 | H27 | 90.1° | 175.0° |
| H26 | C08 | C09 | H28 | 151.3° | 54.9° |
| H31 | C18 | C19 | H33 | 89.2° | 175.0° |
| H32 | C18 | C19 | H33 | 151.9° | 65.1° |
| H38 | C30 | C31 | H39 | 0.3° | 0.0° |
