AKN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C5 | sing | 1.43Å | 1.45Å | |
| C9 | C7 | sing | 1.53Å | 1.53Å | |
| C9 | N10 | sing | 1.47Å | 1.50Å | |
| C5 | C7 | sing | 1.53Å | 1.60Å | |
| C5 | C4 | sing | 1.53Å | 1.58Å | |
| O33 | C4 | sing | 1.43Å | 1.38Å | |
| C7 | O8 | sing | 1.43Å | 1.52Å | |
| N15 | C14 | sing | 1.47Å | 1.50Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| C14 | C13 | sing | 1.53Å | 1.58Å | |
| C14 | C16 | sing | 1.53Å | 1.60Å | |
| O8 | C1 | sing | 1.43Å | 1.50Å | |
| O2 | C1 | sing | 1.43Å | 1.44Å | |
| O2 | C16 | sing | 1.43Å | 1.47Å | |
| C3 | C1 | sing | 1.53Å | 1.58Å | |
| C3 | O32 | sing | 1.43Å | 1.45Å | |
| C13 | C11 | sing | 1.53Å | 1.56Å | |
| C16 | C17 | sing | 1.53Å | 1.58Å | |
| O36 | C35 | doub | 1.21Å | 1.28Å | |
| C11 | N12 | sing | 1.46Å | 1.42Å | |
| C11 | C19 | sing | 1.53Å | 1.53Å | |
| C35 | N12 | sing | 1.35Å | 1.44Å | |
| C35 | C37 | sing | 1.51Å | 1.56Å | |
| C17 | C19 | sing | 1.53Å | 1.55Å | |
| C17 | O18 | sing | 1.43Å | 1.42Å | |
| C37 | O40 | sing | 1.43Å | 1.29Å | |
| C37 | C38 | sing | 1.53Å | 1.56Å | |
| C19 | O20 | sing | 1.43Å | 1.43Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C39 | N37 | sing | 1.47Å | 1.48Å | |
| O20 | C21 | sing | 1.43Å | 1.37Å | |
| O23 | C22 | sing | 1.43Å | 1.39Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C21 | O29 | sing | 1.43Å | 1.47Å | |
| C22 | C24 | sing | 1.53Å | 1.59Å | |
| O29 | C28 | sing | 1.43Å | 1.52Å | |
| C24 | N25 | sing | 1.47Å | 1.49Å | |
| C24 | C26 | sing | 1.53Å | 1.59Å | |
| C28 | C26 | sing | 1.53Å | 1.57Å | |
| C28 | C30 | sing | 1.53Å | 1.53Å | |
| C26 | O27 | sing | 1.43Å | 1.43Å | |
| C30 | O31 | sing | 1.43Å | 1.45Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| O6 | H8 | sing | 0.97Å | 0.95Å | |
| N10 | H9 | sing | 1.01Å | 1.00Å | |
| N10 | H10 | sing | 1.01Å | 1.00Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| N12 | H13 | sing | 0.97Å | 1.00Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| N15 | H17 | sing | 1.01Å | 1.00Å | |
| N15 | H18 | sing | 1.01Å | 1.00Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| O18 | H22 | sing | 0.97Å | 0.95Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| O23 | H26 | sing | 0.97Å | 0.95Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| N25 | H28 | sing | 1.01Å | 1.00Å | |
| N25 | H29 | sing | 1.01Å | 1.00Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| O27 | H32 | sing | 0.97Å | 0.95Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| O31 | H36 | sing | 0.97Å | 0.95Å | |
| O32 | H37 | sing | 0.97Å | 0.95Å | |
| O33 | H38 | sing | 0.97Å | 0.95Å | |
| N37 | H39 | sing | 1.01Å | 1.00Å | |
| N37 | H40 | sing | 1.01Å | 1.00Å | |
| C37 | H42 | sing | 1.09Å | 1.10Å | |
| C38 | H43 | sing | 1.09Å | 1.10Å | |
| C38 | H44 | sing | 1.09Å | 1.10Å | |
| C39 | H45 | sing | 1.09Å | 1.10Å | |
| C39 | H46 | sing | 1.09Å | 1.10Å | |
| O40 | H47 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C5 | C7 | 110.1° | 109.5° |
| O6 | C5 | C4 | 109.8° | 109.5° |
| O6 | C5 | H4 | 110.6° | 109.6° |
| C5 | O6 | H8 | 109.5° | 114.0° |
| C7 | C9 | N10 | 111.7° | 109.5° |
| C9 | C7 | C5 | 112.4° | 109.5° |
| C9 | C7 | O8 | 107.7° | 109.5° |
| C9 | C7 | H5 | 109.5° | 109.5° |
| C7 | C9 | H6 | 108.9° | 109.5° |
| C7 | C9 | H7 | 108.9° | 109.5° |
| N10 | C9 | H6 | 108.9° | 109.5° |
| N10 | C9 | H7 | 108.9° | 109.4° |
| C9 | N10 | H9 | 109.5° | 111.0° |
| C9 | N10 | H10 | 109.5° | 111.0° |
| C7 | C5 | C4 | 108.8° | 109.2° |
| C5 | C7 | O8 | 109.2° | 109.4° |
| C7 | C5 | H4 | 108.7° | 109.5° |
| C5 | C7 | H5 | 108.6° | 109.5° |
| C5 | C4 | O33 | 110.8° | 109.6° |
| C5 | C4 | C3 | 107.3° | 109.1° |
| C5 | C4 | H3 | 109.0° | 109.6° |
| C4 | C5 | H4 | 108.8° | 109.5° |
| O33 | C4 | C3 | 108.5° | 109.5° |
| O33 | C4 | H3 | 111.9° | 109.5° |
| C4 | O33 | H38 | 109.5° | 114.0° |
| C7 | O8 | C1 | 112.8° | 114.1° |
| O8 | C7 | H5 | 109.5° | 109.4° |
| N15 | C14 | C13 | 109.4° | 109.5° |
| N15 | C14 | C16 | 111.6° | 109.5° |
| N15 | C14 | H16 | 109.9° | 109.5° |
| C14 | N15 | H17 | 109.5° | 111.0° |
| C14 | N15 | H18 | 109.5° | 111.0° |
| C4 | C3 | C1 | 110.5° | 109.2° |
| C4 | C3 | O32 | 109.9° | 109.5° |
| C4 | C3 | H2 | 108.9° | 109.6° |
| C3 | C4 | H3 | 109.4° | 109.6° |
| C13 | C14 | C16 | 108.5° | 109.5° |
| C14 | C13 | C11 | 110.2° | 109.5° |
| C14 | C13 | H14 | 109.3° | 109.4° |
| C14 | C13 | H15 | 109.3° | 109.4° |
| C13 | C14 | H16 | 108.9° | 109.4° |
| C14 | C16 | O2 | 108.4° | 109.5° |
| C14 | C16 | C17 | 108.6° | 109.4° |
| C16 | C14 | H16 | 108.5° | 109.5° |
| C14 | C16 | H20 | 108.6° | 109.5° |
| O8 | C1 | O2 | 110.2° | 109.5° |
| O8 | C1 | C3 | 109.7° | 109.4° |
| O8 | C1 | H1 | 109.5° | 109.5° |
| C1 | O2 | C16 | 121.9° | 114.0° |
| O2 | C1 | C3 | 108.5° | 109.4° |
| O2 | C1 | H1 | 110.4° | 109.5° |
| O2 | C16 | C17 | 111.8° | 109.5° |
| O2 | C16 | H20 | 110.4° | 109.5° |
| C1 | C3 | O32 | 108.7° | 109.5° |
| C3 | C1 | H1 | 108.4° | 109.5° |
| C1 | C3 | H2 | 108.5° | 109.5° |
| O32 | C3 | H2 | 110.3° | 109.5° |
| C3 | O32 | H37 | 109.5° | 114.0° |
| C13 | C11 | N12 | 108.6° | 109.5° |
| C13 | C11 | C19 | 111.2° | 109.5° |
| C13 | C11 | H12 | 108.5° | 109.5° |
| C11 | C13 | H14 | 109.3° | 109.5° |
| C11 | C13 | H15 | 109.3° | 109.5° |
| C16 | C17 | C19 | 109.9° | 109.5° |
| C16 | C17 | O18 | 109.4° | 109.4° |
| C17 | C16 | H20 | 108.9° | 109.5° |
| C16 | C17 | H21 | 108.8° | 109.5° |
| O36 | C35 | N12 | 120.1° | 120.0° |
| O36 | C35 | C37 | 123.1° | 120.0° |
| N12 | C11 | C19 | 109.2° | 109.5° |
| C11 | N12 | C35 | 119.4° | 120.0° |
| N12 | C11 | H12 | 110.4° | 109.4° |
| C11 | N12 | H13 | 120.4° | 120.0° |
| C11 | C19 | C17 | 109.8° | 109.4° |
| C11 | C19 | O20 | 109.0° | 109.5° |
| C19 | C11 | H12 | 108.9° | 109.5° |
| C11 | C19 | H23 | 109.2° | 109.4° |
| N12 | C35 | C37 | 116.8° | 120.0° |
| C35 | N12 | H13 | 120.3° | 120.0° |
| C35 | C37 | O40 | 112.6° | 109.5° |
| C35 | C37 | C38 | 107.4° | 109.5° |
| C35 | C37 | H42 | 109.0° | 109.4° |
| C19 | C17 | O18 | 108.6° | 109.4° |
| C17 | C19 | O20 | 109.2° | 109.5° |
| C19 | C17 | H21 | 109.2° | 109.5° |
| C17 | C19 | H23 | 108.9° | 109.5° |
| O18 | C17 | H21 | 111.1° | 109.5° |
| C17 | O18 | H22 | 109.5° | 114.0° |
| O40 | C37 | C38 | 105.5° | 109.5° |
| O40 | C37 | H42 | 113.2° | 109.5° |
| C37 | O40 | H47 | 109.5° | 114.0° |
| C37 | C38 | C39 | 115.3° | 109.5° |
| C38 | C37 | H42 | 109.0° | 109.4° |
| C37 | C38 | H43 | 108.0° | 109.4° |
| C37 | C38 | H44 | 108.0° | 109.5° |
| C19 | O20 | C21 | 124.4° | 114.0° |
| O20 | C19 | H23 | 110.6° | 109.5° |
| C38 | C39 | N37 | 109.4° | 109.5° |
| C39 | C38 | H43 | 108.0° | 109.5° |
| C39 | C38 | H44 | 108.0° | 109.5° |
| C38 | C39 | H45 | 109.5° | 109.5° |
| C38 | C39 | H46 | 109.5° | 109.4° |
| C39 | N37 | H39 | 109.5° | 111.0° |
| C39 | N37 | H40 | 109.5° | 111.0° |
| N37 | C39 | H45 | 109.5° | 109.5° |
| N37 | C39 | H46 | 109.5° | 109.5° |
| O20 | C21 | C22 | 106.2° | 109.5° |
| O20 | C21 | O29 | 110.0° | 109.5° |
| O20 | C21 | H24 | 111.4° | 109.4° |
| O23 | C22 | C21 | 109.6° | 109.5° |
| O23 | C22 | C24 | 111.1° | 109.5° |
| O23 | C22 | H25 | 109.7° | 109.6° |
| C22 | O23 | H26 | 109.5° | 114.0° |
| C22 | C21 | O29 | 110.4° | 109.4° |
| C21 | C22 | C24 | 111.5° | 109.1° |
| C22 | C21 | H24 | 108.8° | 109.5° |
| C21 | C22 | H25 | 107.6° | 109.5° |
| C21 | O29 | C28 | 114.8° | 114.1° |
| O29 | C21 | H24 | 109.8° | 109.5° |
| C22 | C24 | N25 | 110.5° | 109.5° |
| C22 | C24 | C26 | 108.5° | 109.0° |
| C24 | C22 | H25 | 107.2° | 109.6° |
| C22 | C24 | H27 | 108.5° | 109.5° |
| O29 | C28 | C26 | 110.2° | 109.5° |
| O29 | C28 | C30 | 109.5° | 109.5° |
| O29 | C28 | H33 | 108.9° | 109.5° |
| N25 | C24 | C26 | 111.1° | 109.6° |
| N25 | C24 | H27 | 109.7° | 109.6° |
| C24 | N25 | H28 | 109.5° | 111.0° |
| C24 | N25 | H29 | 109.5° | 111.1° |
| C24 | C26 | C28 | 108.5° | 109.2° |
| C24 | C26 | O27 | 110.9° | 109.5° |
| C26 | C24 | H27 | 108.5° | 109.6° |
| C24 | C26 | H31 | 108.0° | 109.5° |
| C26 | C28 | C30 | 111.1° | 109.5° |
| C28 | C26 | O27 | 111.1° | 109.5° |
| C28 | C26 | H31 | 108.2° | 109.6° |
| C26 | C28 | H33 | 108.3° | 109.5° |
| C28 | C30 | O31 | 114.5° | 109.5° |
| C30 | C28 | H33 | 108.9° | 109.4° |
| C28 | C30 | H34 | 108.2° | 109.5° |
| C28 | C30 | H35 | 108.2° | 109.5° |
| O27 | C26 | H31 | 110.1° | 109.5° |
| C26 | O27 | H32 | 109.5° | 114.0° |
| O31 | C30 | H34 | 108.2° | 109.5° |
| O31 | C30 | H35 | 108.2° | 109.4° |
| C30 | O31 | H36 | 109.5° | 114.0° |
| H6 | C9 | H7 | 109.5° | 109.5° |
| H9 | N10 | H10 | 109.5° | 110.9° |
| H14 | C13 | H15 | 109.5° | 109.5° |
| H17 | N15 | H18 | 109.4° | 111.0° |
| H28 | N25 | H29 | 109.4° | 111.0° |
| H34 | C30 | H35 | 109.4° | 109.5° |
| H39 | N37 | H40 | 109.4° | 111.0° |
| H43 | C38 | H44 | 109.5° | 109.4° |
| H45 | C39 | H46 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C5 | C7 | C9 | 60.9° | 62.5° |
| O6 | C5 | C7 | C4 | 120.4° | 119.9° |
| O6 | C5 | C7 | H4 | 121.3° | 120.2° |
| O6 | C5 | C4 | H4 | 121.3° | 120.2° |
| O6 | C5 | C4 | O33 | 60.8° | 63.2° |
| O6 | C5 | C7 | O8 | 179.7° | 177.5° |
| O6 | C5 | C4 | C3 | 179.0° | 176.9° |
| O6 | C5 | C4 | H3 | 62.7° | 57.0° |
| O6 | C5 | C7 | H5 | 60.4° | 57.6° |
| C7 | C9 | N10 | H6 | 120.3° | 120.0° |
| C7 | C9 | N10 | H7 | 120.3° | 120.0° |
| C9 | C7 | C5 | O8 | 119.4° | 120.0° |
| C9 | C7 | C5 | H5 | 121.3° | 120.1° |
| C9 | C7 | C5 | C4 | 178.8° | 177.6° |
| C9 | C7 | O8 | H5 | 119.0° | 120.0° |
| C9 | C7 | O8 | C1 | 178.8° | 178.8° |
| C9 | C7 | C5 | H4 | 60.4° | 57.7° |
| C7 | C9 | H6 | H7 | 119.0° | 120.0° |
| C7 | C9 | N10 | H9 | 180.0° | 56.1° |
| C7 | C9 | N10 | H10 | 60.0° | 180.0° |
| N10 | C9 | C7 | C5 | 152.3° | 175.0° |
| N10 | C9 | C7 | O8 | 32.0° | 65.0° |
| N10 | C9 | C7 | H5 | 87.0° | 54.9° |
| N10 | C9 | H6 | H7 | 118.9° | 120.0° |
| C9 | N10 | H9 | H10 | 120.0° | 123.9° |
| C7 | C5 | C4 | H4 | 118.2° | 119.9° |
| C7 | C5 | C4 | O33 | 178.7° | 176.9° |
| C5 | C7 | O8 | H5 | 118.8° | 120.0° |
| C7 | C5 | C4 | C3 | 60.5° | 57.0° |
| C5 | C7 | O8 | C1 | 58.9° | 61.2° |
| C7 | C5 | C4 | H3 | 57.8° | 62.9° |
| C5 | C7 | C9 | H6 | 87.3° | 55.0° |
| C5 | C7 | C9 | H7 | 32.0° | 65.0° |
| C7 | C5 | O6 | H8 | 180.0° | 179.9° |
| C5 | C4 | O33 | C3 | 117.5° | 119.6° |
| C5 | C4 | O33 | H3 | 121.8° | 120.2° |
| C4 | C5 | C7 | O8 | 59.4° | 57.6° |
| C5 | C4 | C3 | H3 | 118.0° | 119.9° |
| C5 | C4 | C3 | C1 | 60.4° | 57.0° |
| C5 | C4 | C3 | O32 | 179.6° | 176.9° |
| C5 | C4 | C3 | H2 | 58.7° | 62.9° |
| C4 | C5 | C7 | H5 | 60.0° | 62.3° |
| C4 | C5 | O6 | H8 | 60.3° | 60.3° |
| C5 | C4 | O33 | H38 | 180.0° | 179.6° |
| O33 | C4 | C3 | H3 | 122.3° | 120.1° |
| O33 | C4 | C3 | C1 | 179.9° | 176.9° |
| O33 | C4 | C3 | O32 | 59.9° | 63.1° |
| O33 | C4 | C3 | H2 | 61.0° | 57.0° |
| O33 | C4 | C5 | H4 | 60.4° | 57.0° |
| C7 | O8 | C1 | O2 | 61.4° | 58.8° |
| C7 | O8 | C1 | C3 | 58.1° | 61.2° |
| C7 | O8 | C1 | H1 | 177.0° | 178.8° |
| O8 | C7 | C5 | H4 | 58.9° | 62.3° |
| O8 | C7 | C9 | H6 | 152.4° | 174.9° |
| O8 | C7 | C9 | H7 | 88.3° | 54.9° |
| N15 | C14 | C13 | C16 | 122.0° | 120.0° |
| N15 | C14 | C13 | H16 | 120.1° | 120.0° |
| N15 | C14 | C16 | H16 | 121.2° | 120.0° |
| N15 | C14 | C16 | O2 | 58.9° | 60.0° |
| N15 | C14 | C13 | C11 | 179.9° | 180.0° |
| N15 | C14 | C16 | C17 | 179.5° | 180.0° |
| N15 | C14 | C13 | H14 | 59.8° | 60.0° |
| N15 | C14 | C13 | H15 | 60.0° | 60.0° |
| C14 | N15 | H17 | H18 | 120.0° | 124.0° |
| N15 | C14 | C16 | H20 | 61.2° | 60.1° |
| C4 | C3 | C1 | O8 | 59.0° | 57.6° |
| C4 | C3 | C1 | O2 | 61.4° | 62.4° |
| C4 | C3 | C1 | O32 | 120.7° | 119.9° |
| C4 | C3 | C1 | H2 | 119.3° | 120.0° |
| C4 | C3 | O32 | H2 | 120.0° | 120.2° |
| C4 | C3 | C1 | H1 | 178.7° | 177.6° |
| C3 | C4 | C5 | H4 | 57.8° | 62.9° |
| C4 | C3 | O32 | H37 | 180.0° | 179.7° |
| C3 | C4 | O33 | H38 | 62.5° | 60.0° |
| C13 | C14 | C16 | H16 | 118.1° | 120.0° |
| C13 | C14 | C16 | O2 | 179.5° | 180.0° |
| C14 | C13 | C11 | H14 | 120.1° | 120.0° |
| C14 | C13 | C11 | H15 | 120.1° | 120.0° |
| C13 | C14 | C16 | C17 | 58.8° | 60.0° |
| C14 | C13 | C11 | N12 | 179.3° | 180.0° |
| C14 | C13 | C11 | C19 | 59.1° | 60.0° |
| C14 | C13 | C11 | H12 | 60.6° | 60.0° |
| C14 | C13 | H14 | H15 | 119.6° | 120.0° |
| C13 | C14 | N15 | H17 | 180.0° | 48.3° |
| C13 | C14 | N15 | H18 | 60.0° | 172.3° |
| C13 | C14 | C16 | H20 | 59.5° | 60.0° |
| C14 | C16 | O2 | C1 | 151.6° | 146.9° |
| C14 | C16 | O2 | C17 | 119.7° | 120.0° |
| C14 | C16 | O2 | H20 | 118.9° | 120.0° |
| C16 | C14 | C13 | C11 | 58.1° | 60.0° |
| C14 | C16 | C17 | H20 | 118.2° | 120.0° |
| C14 | C16 | C17 | C19 | 60.4° | 60.0° |
| C14 | C16 | C17 | O18 | 179.5° | 180.0° |
| C16 | C14 | C13 | H14 | 178.2° | 60.0° |
| C16 | C14 | C13 | H15 | 62.0° | 180.0° |
| C16 | C14 | N15 | H17 | 59.9° | 168.3° |
| C16 | C14 | N15 | H18 | 60.1° | 67.7° |
| C14 | C16 | C17 | H21 | 59.1° | 60.0° |
| O8 | C1 | O2 | C3 | 120.2° | 119.9° |
| O8 | C1 | O2 | H1 | 121.1° | 120.0° |
| O8 | C1 | O2 | C16 | 85.4° | 71.3° |
| O8 | C1 | C3 | H1 | 119.6° | 120.0° |
| O8 | C1 | C3 | O32 | 179.7° | 177.5° |
| O8 | C1 | C3 | H2 | 60.3° | 62.4° |
| C1 | O8 | C7 | H5 | 59.9° | 58.8° |
| O2 | C1 | C3 | H1 | 119.9° | 120.0° |
| O2 | C1 | C3 | O32 | 59.3° | 57.6° |
| C1 | O2 | C16 | C17 | 88.7° | 93.2° |
| O2 | C1 | C3 | H2 | 179.2° | 177.7° |
| C1 | O2 | C16 | H20 | 32.7° | 26.8° |
| C16 | O2 | C1 | C3 | 154.4° | 168.8° |
| O2 | C16 | C17 | H20 | 122.2° | 120.0° |
| O2 | C16 | C17 | C19 | 180.0° | 180.0° |
| O2 | C16 | C17 | O18 | 60.9° | 60.0° |
| C16 | O2 | C1 | H1 | 35.6° | 48.8° |
| O2 | C16 | C14 | H16 | 62.4° | 60.0° |
| O2 | C16 | C17 | H21 | 60.5° | 60.0° |
| C1 | C3 | O32 | H2 | 118.9° | 120.1° |
| C1 | C3 | C4 | H3 | 57.6° | 63.0° |
| C1 | C3 | O32 | H37 | 58.9° | 59.9° |
| O32 | C3 | C1 | H1 | 60.7° | 62.5° |
| O32 | C3 | C4 | H3 | 62.4° | 57.0° |
| C13 | C11 | N12 | C19 | 121.4° | 120.0° |
| C13 | C11 | N12 | H12 | 118.9° | 120.0° |
| C13 | C11 | C19 | H12 | 119.5° | 120.0° |
| C13 | C11 | N12 | C35 | 96.0° | 85.0° |
| C13 | C11 | C19 | C17 | 59.6° | 60.0° |
| C13 | C11 | C19 | O20 | 179.2° | 180.0° |
| C13 | C11 | N12 | H13 | 84.0° | 95.0° |
| C11 | C13 | H14 | H15 | 119.7° | 120.0° |
| C11 | C13 | C14 | H16 | 59.8° | 60.0° |
| C13 | C11 | C19 | H23 | 59.8° | 60.0° |
| C16 | C17 | C19 | C11 | 60.5° | 60.0° |
| C16 | C17 | C19 | O18 | 119.6° | 119.9° |
| C16 | C17 | C19 | H21 | 119.2° | 120.0° |
| C16 | C17 | O18 | H21 | 120.1° | 120.0° |
| C16 | C17 | C19 | O20 | 180.0° | 180.0° |
| C17 | C16 | C14 | H16 | 59.3° | 60.0° |
| C16 | C17 | O18 | H22 | 180.0° | 70.1° |
| C16 | C17 | C19 | H23 | 59.1° | 59.9° |
| O36 | C35 | N12 | C11 | 13.1° | 0.0° |
| O36 | C35 | N12 | C37 | 179.5° | 180.0° |
| O36 | C35 | C37 | O40 | 179.7° | 5.0° |
| O36 | C35 | C37 | C38 | 64.6° | 115.0° |
| O36 | C35 | N12 | H13 | 166.9° | 180.0° |
| O36 | C35 | C37 | H42 | 53.3° | 125.0° |
| N12 | C11 | C19 | H12 | 120.6° | 120.0° |
| C11 | N12 | C35 | H13 | 180.0° | 180.0° |
| C11 | N12 | C35 | C37 | 167.3° | 180.0° |
| N12 | C11 | C19 | C17 | 179.5° | 180.0° |
| N12 | C11 | C19 | O20 | 60.9° | 60.0° |
| N12 | C11 | C13 | H14 | 60.6° | 60.0° |
| N12 | C11 | C13 | H15 | 59.2° | 60.0° |
| N12 | C11 | C19 | H23 | 60.0° | 60.1° |
| C19 | C11 | N12 | C35 | 142.6° | 154.9° |
| C11 | C19 | C17 | O20 | 119.5° | 120.0° |
| C11 | C19 | C17 | H23 | 119.6° | 119.9° |
| C11 | C19 | C17 | O18 | 179.9° | 179.9° |
| C11 | C19 | O20 | H23 | 120.1° | 120.0° |
| C11 | C19 | O20 | C21 | 114.0° | 127.7° |
| C19 | C11 | N12 | H13 | 37.4° | 25.0° |
| C19 | C11 | C13 | H14 | 179.2° | 60.0° |
| C19 | C11 | C13 | H15 | 61.0° | 180.0° |
| C11 | C19 | C17 | H21 | 58.7° | 60.0° |
| N12 | C35 | C37 | O40 | 0.8° | 175.0° |
| N12 | C35 | C37 | C38 | 114.9° | 64.9° |
| C35 | N12 | C11 | H12 | 22.9° | 35.0° |
| N12 | C35 | C37 | H42 | 127.2° | 55.0° |
| C35 | C37 | O40 | C38 | 116.8° | 120.1° |
| C35 | C37 | O40 | H42 | 124.1° | 119.9° |
| C35 | C37 | C38 | H42 | 117.9° | 120.0° |
| C35 | C37 | C38 | C39 | 166.0° | 175.0° |
| C37 | C35 | N12 | H13 | 12.7° | 0.1° |
| C35 | C37 | C38 | H43 | 73.2° | 65.0° |
| C35 | C37 | C38 | H44 | 45.2° | 54.9° |
| C35 | C37 | O40 | H47 | 180.0° | 60.1° |
| C19 | C17 | O18 | H21 | 120.1° | 120.1° |
| C17 | C19 | O20 | H23 | 119.9° | 120.1° |
| C17 | C19 | O20 | C21 | 126.0° | 112.3° |
| C17 | C19 | C11 | H12 | 59.9° | 60.0° |
| C19 | C17 | C16 | H20 | 57.8° | 59.9° |
| C19 | C17 | O18 | H22 | 60.1° | 170.0° |
| O18 | C17 | C19 | O20 | 60.4° | 60.1° |
| O18 | C17 | C16 | H20 | 61.3° | 60.0° |
| O18 | C17 | C19 | H23 | 60.5° | 60.0° |
| O40 | C37 | C38 | H42 | 121.8° | 120.0° |
| O40 | C37 | C38 | C39 | 73.7° | 65.0° |
| O40 | C37 | C38 | H43 | 47.1° | 55.1° |
| O40 | C37 | C38 | H44 | 165.5° | 174.9° |
| C37 | C38 | C39 | H43 | 120.9° | 120.0° |
| C37 | C38 | C39 | H44 | 120.8° | 120.1° |
| C37 | C38 | C39 | N37 | 179.9° | 180.0° |
| C37 | C38 | H43 | H44 | 117.3° | 119.9° |
| C37 | C38 | C39 | H45 | 60.1° | 60.0° |
| C37 | C38 | C39 | H46 | 59.9° | 60.0° |
| C38 | C37 | O40 | H47 | 63.2° | 60.0° |
| C19 | O20 | C21 | C22 | 153.9° | 155.6° |
| C19 | O20 | C21 | O29 | 86.6° | 84.5° |
| O20 | C19 | C11 | H12 | 59.7° | 60.0° |
| O20 | C19 | C17 | H21 | 60.8° | 60.0° |
| C19 | O20 | C21 | H24 | 35.5° | 35.5° |
| C38 | C39 | N37 | H45 | 120.0° | 120.0° |
| C38 | C39 | N37 | H46 | 120.0° | 120.0° |
| C38 | C39 | N37 | H39 | 180.0° | 56.0° |
| C38 | C39 | N37 | H40 | 60.0° | 180.0° |
| C39 | C38 | C37 | H42 | 48.1° | 55.1° |
| C39 | C38 | H43 | H44 | 117.4° | 120.0° |
| C38 | C39 | H45 | H46 | 120.0° | 120.0° |
| C39 | N37 | H39 | H40 | 120.0° | 123.9° |
| N37 | C39 | C38 | H43 | 59.0° | 60.0° |
| N37 | C39 | C38 | H44 | 59.3° | 59.9° |
| N37 | C39 | H45 | H46 | 120.0° | 120.0° |
| O20 | C21 | C22 | O23 | 59.5° | 57.5° |
| O20 | C21 | C22 | O29 | 119.2° | 120.0° |
| O20 | C21 | C22 | H24 | 120.1° | 120.0° |
| O20 | C21 | O29 | H24 | 123.0° | 120.0° |
| O20 | C21 | C22 | C24 | 64.0° | 62.4° |
| O20 | C21 | O29 | C28 | 61.2° | 58.9° |
| C21 | O20 | C19 | H23 | 6.1° | 7.7° |
| O20 | C21 | C22 | H25 | 178.7° | 177.7° |
| O23 | C22 | C21 | C24 | 123.4° | 119.9° |
| O23 | C22 | C21 | H25 | 119.3° | 120.2° |
| O23 | C22 | C21 | O29 | 178.7° | 177.5° |
| O23 | C22 | C24 | H25 | 119.9° | 120.3° |
| O23 | C22 | C24 | N25 | 58.0° | 63.3° |
| O23 | C22 | C24 | C26 | 179.9° | 176.8° |
| O23 | C22 | C21 | H24 | 60.6° | 62.5° |
| O23 | C22 | C24 | H27 | 62.3° | 56.9° |
| C22 | C21 | O29 | H24 | 120.0° | 120.0° |
| C21 | C22 | C24 | H25 | 117.5° | 119.9° |
| C22 | C21 | O29 | C28 | 55.8° | 61.1° |
| C21 | C22 | C24 | N25 | 179.4° | 176.8° |
| C21 | C22 | C24 | C26 | 57.4° | 57.0° |
| C21 | C22 | O23 | H26 | 180.0° | 60.1° |
| C21 | C22 | C24 | H27 | 60.3° | 63.0° |
| O29 | C21 | C22 | C24 | 55.3° | 57.6° |
| C21 | O29 | C28 | C26 | 57.9° | 61.1° |
| C21 | O29 | C28 | C30 | 179.7° | 178.9° |
| O29 | C21 | C22 | H25 | 62.0° | 62.3° |
| C21 | O29 | C28 | H33 | 60.7° | 58.9° |
| C22 | C24 | N25 | C26 | 120.5° | 119.5° |
| C22 | C24 | N25 | H27 | 119.6° | 120.2° |
| C22 | C24 | C26 | H27 | 117.7° | 119.9° |
| C22 | C24 | C26 | C28 | 57.8° | 57.0° |
| C22 | C24 | C26 | O27 | 179.9° | 176.9° |
| C24 | C22 | C21 | H24 | 175.9° | 177.6° |
| C24 | C22 | O23 | H26 | 56.4° | 179.7° |
| C22 | C24 | N25 | H28 | 180.0° | 60.0° |
| C22 | C24 | N25 | H29 | 60.0° | 64.0° |
| C22 | C24 | C26 | H31 | 59.2° | 63.0° |
| O29 | C28 | C26 | C24 | 57.4° | 57.6° |
| O29 | C28 | C26 | C30 | 121.5° | 120.0° |
| O29 | C28 | C26 | H33 | 119.0° | 120.1° |
| O29 | C28 | C30 | H33 | 119.0° | 120.0° |
| O29 | C28 | C26 | O27 | 179.5° | 177.5° |
| O29 | C28 | C30 | O31 | 21.4° | 64.5° |
| C28 | O29 | C21 | H24 | 175.8° | 178.9° |
| O29 | C28 | C26 | H31 | 59.5° | 62.3° |
| O29 | C28 | C30 | H34 | 99.4° | 175.4° |
| O29 | C28 | C30 | H35 | 142.1° | 55.4° |
| N25 | C24 | C26 | H27 | 120.7° | 120.3° |
| N25 | C24 | C26 | C28 | 179.5° | 176.8° |
| N25 | C24 | C26 | O27 | 58.2° | 63.3° |
| N25 | C24 | C22 | H25 | 61.9° | 56.9° |
| C24 | N25 | H28 | H29 | 120.0° | 124.0° |
| N25 | C24 | C26 | H31 | 62.4° | 56.8° |
| C24 | C26 | C28 | O27 | 122.1° | 119.9° |
| C24 | C26 | C28 | H31 | 116.9° | 120.0° |
| C24 | C26 | C28 | C30 | 178.9° | 177.6° |
| C24 | C26 | O27 | H31 | 119.4° | 120.1° |
| C26 | C24 | C22 | H25 | 60.2° | 62.9° |
| C26 | C24 | N25 | H28 | 59.5° | 179.5° |
| C26 | C24 | N25 | H29 | 179.5° | 55.6° |
| C24 | C26 | O27 | H32 | 180.0° | 180.0° |
| C24 | C26 | C28 | H33 | 61.6° | 62.4° |
| C26 | C28 | C30 | H33 | 119.2° | 120.0° |
| C28 | C26 | O27 | H31 | 119.9° | 120.2° |
| C26 | C28 | C30 | O31 | 100.5° | 175.5° |
| C28 | C26 | C24 | H27 | 59.8° | 62.9° |
| C28 | C26 | O27 | H32 | 59.3° | 60.3° |
| C26 | C28 | C30 | H34 | 138.7° | 55.4° |
| C26 | C28 | C30 | H35 | 20.2° | 64.6° |
| C30 | C28 | C26 | O27 | 59.0° | 62.5° |
| C28 | C30 | O31 | H34 | 120.7° | 120.1° |
| C28 | C30 | O31 | H35 | 120.8° | 120.0° |
| C30 | C28 | C26 | H31 | 62.0° | 57.7° |
| C28 | C30 | H34 | H35 | 117.7° | 120.0° |
| C28 | C30 | O31 | H36 | 180.0° | 180.0° |
| O27 | C26 | C24 | H27 | 62.4° | 57.0° |
| O27 | C26 | C28 | H33 | 60.5° | 57.5° |
| O31 | C30 | C28 | H33 | 140.3° | 55.5° |
| O31 | C30 | H34 | H35 | 117.7° | 119.9° |
| H1 | C1 | C3 | H2 | 59.3° | 57.6° |
| H2 | C3 | C4 | H3 | 176.7° | 177.2° |
| H2 | C3 | O32 | H37 | 60.0° | 60.1° |
| H3 | C4 | C5 | H4 | 176.0° | 177.2° |
| H3 | C4 | O33 | H38 | 58.2° | 60.1° |
| H4 | C5 | C7 | H5 | 178.3° | 177.8° |
| H4 | C5 | O6 | H8 | 59.9° | 59.8° |
| H5 | C7 | C9 | H6 | 33.4° | 65.1° |
| H5 | C7 | C9 | H7 | 152.7° | 174.9° |
| H6 | C9 | N10 | H9 | 59.7° | 63.9° |
| H6 | C9 | N10 | H10 | 179.7° | 60.0° |
| H7 | C9 | N10 | H9 | 59.7° | 176.0° |
| H7 | C9 | N10 | H10 | 60.3° | 60.1° |
| H12 | C11 | N12 | H13 | 157.1° | 145.0° |
| H12 | C11 | C13 | H14 | 59.5° | 180.0° |
| H12 | C11 | C13 | H15 | 179.3° | 60.0° |
| H12 | C11 | C19 | H23 | 179.3° | 180.0° |
| H14 | C13 | C14 | H16 | 60.3° | NaN° |
| H15 | C13 | C14 | H16 | 179.9° | 60.0° |
| H16 | C14 | N15 | H17 | 60.6° | 71.7° |
| H16 | C14 | N15 | H18 | 179.4° | 52.3° |
| H16 | C14 | C16 | H20 | 177.6° | 179.9° |
| H20 | C16 | C17 | H21 | 177.2° | 180.0° |
| H21 | C17 | O18 | H22 | 59.9° | 49.9° |
| H21 | C17 | C19 | H23 | 178.3° | 179.9° |
| H24 | C21 | C22 | H25 | 58.6° | 57.7° |
| H25 | C22 | O23 | H26 | 62.0° | 60.1° |
| H25 | C22 | C24 | H27 | 177.8° | 177.1° |
| H27 | C24 | N25 | H28 | 60.4° | 60.2° |
| H27 | C24 | N25 | H29 | 59.6° | 175.9° |
| H27 | C24 | C26 | H31 | 176.9° | 177.1° |
| H31 | C26 | O27 | H32 | 60.6° | 59.9° |
| H31 | C26 | C28 | H33 | 178.5° | 177.6° |
| H33 | C28 | C30 | H34 | 19.6° | 64.6° |
| H33 | C28 | C30 | H35 | 98.9° | 175.4° |
| H34 | C30 | O31 | H36 | 59.2° | 59.9° |
| H35 | C30 | O31 | H36 | 59.3° | 60.0° |
| H39 | N37 | C39 | H45 | 60.0° | 176.0° |
| H39 | N37 | C39 | H46 | 60.0° | 63.9° |
| H40 | N37 | C39 | H45 | 180.0° | 60.0° |
| H40 | N37 | C39 | H46 | 60.0° | 60.0° |
| H42 | C37 | C38 | H43 | 168.9° | 175.1° |
| H42 | C37 | C38 | H44 | 72.7° | 65.1° |
| H42 | C37 | O40 | H47 | 55.9° | 180.0° |
| H43 | C38 | C39 | H45 | 179.0° | 60.0° |
| H43 | C38 | C39 | H46 | 60.9° | 180.0° |
| H44 | C38 | C39 | H45 | 60.7° | 179.9° |
| H44 | C38 | C39 | H46 | 179.3° | 60.0° |
