8MM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAH | CAW | doub | 1.21Å | 1.43Å | |
| CAC | CAW | sing | 1.51Å | 1.53Å | |
| CAW | N3 | sing | 1.35Å | 1.48Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| N3 | C5 | sing | 1.46Å | 1.47Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.55Å | |
| C2 | O | sing | 1.43Å | 1.44Å | |
| C1 | N4 | sing | 1.47Å | 1.49Å | |
| C6 | O | sing | 1.43Å | 1.46Å | |
| C6 | O1 | sing | 1.43Å | 1.47Å | |
| N2 | C8 | sing | 1.47Å | 1.47Å | |
| O1 | C7 | sing | 1.43Å | 1.45Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C7 | C12 | sing | 1.53Å | 1.54Å | |
| C9 | C10 | sing | 1.53Å | 1.49Å | |
| C12 | O2 | sing | 1.43Å | 1.43Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | N1 | sing | 1.47Å | 1.47Å | |
| C11 | O3 | sing | 1.43Å | 1.42Å | |
| O3 | C13 | sing | 1.43Å | 1.46Å | |
| O4 | C13 | sing | 1.43Å | 1.43Å | |
| O4 | C17 | sing | 1.43Å | 1.46Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | O6 | sing | 1.43Å | 1.43Å | |
| C14 | C15 | sing | 1.53Å | 1.47Å | |
| C16 | C18 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.59Å | |
| C16 | O5 | sing | 1.43Å | 1.43Å | |
| C15 | N | sing | 1.47Å | 1.48Å | |
| N | C19 | sing | 1.47Å | 1.47Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| N1 | H14 | sing | 1.01Å | 1.00Å | |
| N1 | H15 | sing | 1.01Å | 1.00Å | |
| N2 | H17 | sing | 1.01Å | 1.00Å | |
| N2 | H18 | sing | 1.01Å | 1.00Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| N3 | H22 | sing | 0.97Å | 1.00Å | |
| N | H24 | sing | 1.01Å | 1.00Å | |
| C1 | H26 | sing | 1.09Å | 1.10Å | |
| C1 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C19 | H35 | sing | 1.09Å | 1.10Å | |
| C19 | H36 | sing | 1.09Å | 1.10Å | |
| C2 | H37 | sing | 1.09Å | 1.10Å | |
| CAC | H38 | sing | 1.09Å | 1.10Å | |
| CAC | H39 | sing | 1.09Å | 1.10Å | |
| CAC | H40 | sing | 1.09Å | 1.10Å | |
| N4 | H42 | sing | 1.01Å | 1.00Å | |
| N4 | H43 | sing | 1.01Å | 1.00Å | |
| O2 | H45 | sing | 0.97Å | 0.95Å | |
| O5 | H46 | sing | 0.97Å | 0.95Å | |
| O6 | H47 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAH | CAW | CAC | 110.5° | 120.0° |
| OAH | CAW | N3 | 110.9° | 120.0° |
| CAC | CAW | N3 | 111.6° | 120.0° |
| CAW | CAC | H38 | 109.5° | 109.4° |
| CAW | CAC | H39 | 109.5° | 109.5° |
| CAW | CAC | H40 | 109.4° | 109.5° |
| CAW | N3 | C5 | 107.4° | 120.1° |
| CAW | N3 | H22 | 126.3° | 120.0° |
| C3 | C4 | C5 | 106.3° | 109.1° |
| C4 | C3 | C2 | 109.8° | 109.1° |
| C3 | C4 | H1 | 110.2° | 109.5° |
| C3 | C4 | H2 | 110.3° | 109.5° |
| C4 | C3 | H20 | 109.4° | 109.5° |
| C4 | C3 | H21 | 109.4° | 109.5° |
| C4 | C5 | N3 | 112.3° | 109.5° |
| C4 | C5 | C6 | 104.8° | 109.1° |
| C5 | C4 | H1 | 110.3° | 109.5° |
| C5 | C4 | H2 | 110.3° | 109.6° |
| C4 | C5 | H4 | 109.4° | 109.5° |
| C3 | C2 | C1 | 110.4° | 109.4° |
| C3 | C2 | O | 109.6° | 109.4° |
| C2 | C3 | H20 | 109.4° | 109.6° |
| C2 | C3 | H21 | 109.4° | 109.5° |
| C3 | C2 | H37 | 108.6° | 109.5° |
| N3 | C5 | C6 | 110.3° | 109.6° |
| N3 | C5 | H4 | 110.4° | 109.6° |
| C5 | N3 | H22 | 126.3° | 119.9° |
| C5 | C6 | O | 111.3° | 109.5° |
| C5 | C6 | O1 | 110.4° | 109.5° |
| C6 | C5 | H4 | 109.5° | 109.5° |
| C5 | C6 | H5 | 106.7° | 109.5° |
| C1 | C2 | O | 110.1° | 109.4° |
| C2 | C1 | N4 | 116.1° | 109.5° |
| C2 | C1 | H26 | 107.8° | 109.4° |
| C2 | C1 | H27 | 107.8° | 109.5° |
| C1 | C2 | H37 | 108.3° | 109.5° |
| C2 | O | C6 | 108.2° | 114.1° |
| O | C2 | H37 | 109.8° | 109.6° |
| N4 | C1 | H26 | 107.8° | 109.5° |
| N4 | C1 | H27 | 107.8° | 109.5° |
| C1 | N4 | H42 | 109.5° | 111.0° |
| C1 | N4 | H43 | 109.5° | 111.0° |
| O | C6 | O1 | 113.1° | 109.5° |
| O | C6 | H5 | 107.6° | 109.5° |
| C6 | O1 | C7 | 114.8° | 114.0° |
| O1 | C6 | H5 | 107.5° | 109.4° |
| N2 | C8 | C7 | 110.6° | 109.5° |
| N2 | C8 | C9 | 111.0° | 109.4° |
| N2 | C8 | H8 | 109.3° | 109.5° |
| C8 | N2 | H17 | 109.5° | 111.0° |
| C8 | N2 | H18 | 109.5° | 111.0° |
| O1 | C7 | C8 | 106.5° | 109.4° |
| O1 | C7 | C12 | 112.4° | 109.5° |
| O1 | C7 | H7 | 110.8° | 109.5° |
| C7 | C8 | C9 | 108.5° | 109.4° |
| C8 | C7 | C12 | 107.6° | 109.5° |
| C8 | C7 | H7 | 109.9° | 109.5° |
| C7 | C8 | H8 | 108.7° | 109.5° |
| C8 | C9 | C10 | 112.3° | 109.5° |
| C9 | C8 | H8 | 108.8° | 109.4° |
| C8 | C9 | H9 | 108.8° | 109.4° |
| C8 | C9 | H10 | 108.8° | 109.5° |
| C7 | C12 | O2 | 112.2° | 109.5° |
| C7 | C12 | C11 | 108.6° | 109.5° |
| C12 | C7 | H7 | 109.6° | 109.5° |
| C7 | C12 | H12 | 108.8° | 109.5° |
| C9 | C10 | C11 | 108.4° | 109.5° |
| C9 | C10 | N1 | 110.4° | 109.4° |
| C10 | C9 | H9 | 108.8° | 109.5° |
| C10 | C9 | H10 | 108.8° | 109.5° |
| C9 | C10 | H11 | 109.2° | 109.5° |
| O2 | C12 | C11 | 107.6° | 109.4° |
| O2 | C12 | H12 | 110.4° | 109.5° |
| C12 | O2 | H45 | 109.5° | 114.1° |
| C12 | C11 | C10 | 108.4° | 109.4° |
| C12 | C11 | O3 | 111.1° | 109.5° |
| C12 | C11 | H6 | 110.0° | 109.5° |
| C11 | C12 | H12 | 109.2° | 109.5° |
| C11 | C10 | N1 | 110.3° | 109.5° |
| C10 | C11 | O3 | 106.0° | 109.5° |
| C10 | C11 | H6 | 109.9° | 109.5° |
| C11 | C10 | H11 | 109.0° | 109.5° |
| N1 | C10 | H11 | 109.6° | 109.5° |
| C10 | N1 | H14 | 109.5° | 111.0° |
| C10 | N1 | H15 | 109.5° | 111.0° |
| C11 | O3 | C13 | 110.5° | 114.0° |
| O3 | C11 | H6 | 111.3° | 109.5° |
| O3 | C13 | O4 | 112.0° | 109.5° |
| O3 | C13 | C14 | 108.4° | 109.5° |
| O3 | C13 | H13 | 107.4° | 109.5° |
| C13 | O4 | C17 | 107.6° | 114.1° |
| O4 | C13 | C14 | 114.3° | 109.4° |
| O4 | C13 | H13 | 107.8° | 109.5° |
| O4 | C17 | C16 | 109.0° | 109.4° |
| O4 | C17 | H29 | 109.6° | 109.4° |
| O4 | C17 | H30 | 109.6° | 109.5° |
| C13 | C14 | O6 | 109.2° | 109.5° |
| C13 | C14 | C15 | 107.4° | 109.2° |
| C13 | C14 | H3 | 110.2° | 109.6° |
| C14 | C13 | H13 | 106.7° | 109.5° |
| C17 | C16 | C18 | 106.8° | 109.5° |
| C17 | C16 | C15 | 110.0° | 109.2° |
| C17 | C16 | O5 | 109.0° | 109.5° |
| C16 | C17 | H29 | 109.6° | 109.5° |
| C16 | C17 | H30 | 109.6° | 109.5° |
| O6 | C14 | C15 | 107.6° | 109.5° |
| O6 | C14 | H3 | 111.4° | 109.5° |
| C14 | O6 | H47 | 109.5° | 114.0° |
| C14 | C15 | C16 | 105.2° | 109.0° |
| C14 | C15 | N | 109.6° | 109.6° |
| C15 | C14 | H3 | 110.9° | 109.5° |
| C14 | C15 | H28 | 110.3° | 109.6° |
| C18 | C16 | C15 | 114.0° | 109.6° |
| C18 | C16 | O5 | 108.1° | 109.5° |
| C16 | C18 | H31 | 109.5° | 109.4° |
| C16 | C18 | H32 | 109.5° | 109.5° |
| C16 | C18 | H33 | 109.5° | 109.5° |
| C15 | C16 | O5 | 108.8° | 109.5° |
| C16 | C15 | N | 113.0° | 109.5° |
| C16 | C15 | H28 | 108.6° | 109.6° |
| C16 | O5 | H46 | 109.5° | 114.0° |
| C15 | N | C19 | 115.9° | 111.0° |
| C15 | N | H24 | 107.8° | 110.9° |
| N | C15 | H28 | 110.1° | 109.5° |
| C19 | N | H24 | 107.8° | 111.0° |
| N | C19 | H34 | 109.5° | 109.4° |
| N | C19 | H35 | 109.4° | 109.4° |
| N | C19 | H36 | 109.5° | 109.5° |
| H1 | C4 | H2 | 109.5° | 109.6° |
| H9 | C9 | H10 | 109.5° | 109.5° |
| H14 | N1 | H15 | 109.5° | 111.0° |
| H17 | N2 | H18 | 109.4° | 111.0° |
| H20 | C3 | H21 | 109.5° | 109.6° |
| H26 | C1 | H27 | 109.5° | 109.5° |
| H29 | C17 | H30 | 109.5° | 109.5° |
| H31 | C18 | H32 | 109.4° | 109.5° |
| H31 | C18 | H33 | 109.5° | 109.5° |
| H32 | C18 | H33 | 109.5° | 109.5° |
| H34 | C19 | H35 | 109.5° | 109.5° |
| H34 | C19 | H36 | 109.5° | 109.5° |
| H35 | C19 | H36 | 109.5° | 109.6° |
| H38 | CAC | H39 | 109.5° | 109.5° |
| H38 | CAC | H40 | 109.5° | 109.5° |
| H39 | CAC | H40 | 109.5° | 109.5° |
| H42 | N4 | H43 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAH | CAW | CAC | N3 | 123.9° | 180.0° |
| OAH | CAW | N3 | C5 | 51.6° | 0.1° |
| OAH | CAW | N3 | H22 | 128.4° | 180.0° |
| OAH | CAW | CAC | H38 | 0.0° | 120.1° |
| OAH | CAW | CAC | H39 | 120.0° | 0.0° |
| OAH | CAW | CAC | H40 | 120.0° | 120.0° |
| CAC | CAW | N3 | C5 | 175.2° | 180.0° |
| CAC | CAW | N3 | H22 | 4.8° | 0.0° |
| CAW | CAC | H38 | H39 | 120.0° | 120.0° |
| CAW | CAC | H38 | H40 | 120.0° | 120.0° |
| CAW | CAC | H39 | H40 | 120.0° | 120.0° |
| CAW | N3 | C5 | C4 | 65.2° | 85.0° |
| CAW | N3 | C5 | H22 | 180.0° | 179.9° |
| CAW | N3 | C5 | C6 | 178.4° | 155.3° |
| CAW | N3 | C5 | H4 | 57.2° | 35.1° |
| N3 | CAW | CAC | H38 | 123.9° | 60.0° |
| N3 | CAW | CAC | H39 | 116.1° | 180.0° |
| N3 | CAW | CAC | H40 | 3.9° | 60.0° |
| C3 | C4 | C5 | H1 | 119.5° | 119.9° |
| C3 | C4 | C5 | H2 | 119.5° | 119.9° |
| C4 | C3 | C2 | H20 | 120.0° | 119.9° |
| C4 | C3 | C2 | H21 | 120.1° | 119.8° |
| C3 | C4 | C5 | N3 | 179.3° | 176.9° |
| C3 | C4 | C5 | C6 | 61.0° | 56.9° |
| C4 | C3 | C2 | C1 | 177.1° | 177.6° |
| C4 | C3 | C2 | O | 61.4° | 57.6° |
| C3 | C4 | H1 | H2 | 121.4° | 120.2° |
| C3 | C4 | C5 | H4 | 56.3° | 62.9° |
| C4 | C3 | H20 | H21 | 119.8° | 120.1° |
| C4 | C3 | C2 | H37 | 58.5° | 62.5° |
| C5 | C4 | C3 | C2 | 61.3° | 57.0° |
| C4 | C5 | N3 | C6 | 116.5° | 119.7° |
| C4 | C5 | N3 | H4 | 122.4° | 120.1° |
| C4 | C5 | C6 | H4 | 117.3° | 119.8° |
| C4 | C5 | C6 | O | 65.4° | 57.6° |
| C4 | C5 | C6 | O1 | 61.0° | 62.4° |
| C5 | C4 | H1 | H2 | 121.5° | 120.2° |
| C4 | C5 | C6 | H5 | 177.5° | 177.6° |
| C5 | C4 | C3 | H20 | 178.7° | 176.9° |
| C5 | C4 | C3 | H21 | 58.8° | 62.9° |
| C4 | C5 | N3 | H22 | 114.8° | 95.0° |
| C3 | C2 | C1 | O | 121.1° | 119.9° |
| C3 | C2 | C1 | H37 | 118.8° | 120.0° |
| C3 | C2 | O | H37 | 119.2° | 120.0° |
| C3 | C2 | C1 | N4 | 160.0° | 175.0° |
| C3 | C2 | O | C6 | 61.3° | 61.2° |
| C2 | C3 | C4 | H1 | 179.2° | 62.9° |
| C2 | C3 | C4 | H2 | 58.3° | 176.9° |
| C2 | C3 | H20 | H21 | 119.9° | 120.3° |
| C3 | C2 | C1 | H26 | 79.1° | 55.0° |
| C3 | C2 | C1 | H27 | 39.0° | 65.0° |
| N3 | C5 | C6 | H4 | 121.7° | 120.3° |
| N3 | C5 | C6 | O | 173.6° | 177.5° |
| N3 | C5 | C6 | O1 | 60.1° | 57.5° |
| N3 | C5 | C4 | H1 | 59.8° | 57.0° |
| N3 | C5 | C4 | H2 | 61.2° | 63.2° |
| N3 | C5 | C6 | H5 | 56.4° | 62.4° |
| C5 | C6 | O | C2 | 65.7° | 61.2° |
| C5 | C6 | O | O1 | 124.9° | 120.0° |
| C5 | C6 | O | H5 | 116.6° | 120.0° |
| C5 | C6 | O1 | H5 | 116.0° | 120.0° |
| C5 | C6 | O1 | C7 | 168.5° | 166.6° |
| C6 | C5 | C4 | H1 | 179.5° | 63.0° |
| C6 | C5 | C4 | H2 | 58.5° | 176.8° |
| C6 | C5 | N3 | H22 | 1.6° | 24.7° |
| C1 | C2 | O | H37 | 119.2° | 120.0° |
| C2 | C1 | N4 | H26 | 121.0° | 120.0° |
| C2 | C1 | N4 | H27 | 121.0° | 120.0° |
| C1 | C2 | O | C6 | 177.0° | 178.9° |
| C1 | C2 | C3 | H20 | 57.1° | 62.6° |
| C1 | C2 | C3 | H21 | 62.8° | 57.7° |
| C2 | C1 | H26 | H27 | 117.0° | 120.0° |
| C2 | C1 | N4 | H42 | 180.0° | 56.0° |
| C2 | C1 | N4 | H43 | 60.0° | 180.0° |
| O | C2 | C1 | N4 | 38.9° | 65.1° |
| C2 | O | C6 | O1 | 59.2° | 58.8° |
| C2 | O | C6 | H5 | 177.7° | 178.8° |
| O | C2 | C3 | H20 | 178.5° | 177.5° |
| O | C2 | C3 | H21 | 58.6° | 62.2° |
| O | C2 | C1 | H26 | 159.8° | 174.9° |
| O | C2 | C1 | H27 | 82.1° | 54.9° |
| N4 | C1 | H26 | H27 | 117.0° | 120.0° |
| N4 | C1 | C2 | H37 | 81.2° | 55.0° |
| C1 | N4 | H42 | H43 | 120.0° | 124.0° |
| O | C6 | O1 | H5 | 118.6° | 120.0° |
| O | C6 | O1 | C7 | 43.1° | 73.4° |
| O | C6 | C5 | H4 | 51.8° | 62.2° |
| C6 | O | C2 | H37 | 57.8° | 58.8° |
| C6 | O1 | C7 | C8 | 164.8° | 151.7° |
| C6 | O1 | C7 | C12 | 77.6° | 88.3° |
| O1 | C6 | C5 | H4 | 178.2° | 177.8° |
| C6 | O1 | C7 | H7 | 45.3° | 31.7° |
| N2 | C8 | C7 | O1 | 57.6° | 60.1° |
| N2 | C8 | C7 | C9 | 121.9° | 120.0° |
| N2 | C8 | C7 | H8 | 119.9° | 120.1° |
| N2 | C8 | C9 | H8 | 120.3° | 120.0° |
| N2 | C8 | C7 | C12 | 178.3° | 180.0° |
| N2 | C8 | C9 | C10 | 178.5° | 180.0° |
| N2 | C8 | C7 | H7 | 62.5° | 59.9° |
| N2 | C8 | C9 | H9 | 58.1° | 60.0° |
| N2 | C8 | C9 | H10 | 61.1° | 60.0° |
| C8 | N2 | H17 | H18 | 120.0° | 123.9° |
| O1 | C7 | C8 | C12 | 120.7° | 120.0° |
| O1 | C7 | C8 | H7 | 120.1° | 120.0° |
| O1 | C7 | C8 | C9 | 179.5° | 180.0° |
| O1 | C7 | C12 | H7 | 123.7° | 120.0° |
| O1 | C7 | C12 | O2 | 61.0° | 60.0° |
| O1 | C7 | C12 | C11 | 179.9° | 180.0° |
| C7 | O1 | C6 | H5 | 75.5° | 46.6° |
| O1 | C7 | C8 | H8 | 62.3° | 60.0° |
| O1 | C7 | C12 | H12 | 61.4° | 60.0° |
| C7 | C8 | C9 | H8 | 118.1° | 120.0° |
| C8 | C7 | C12 | H7 | 119.4° | 120.0° |
| C7 | C8 | C9 | C10 | 59.9° | 60.0° |
| C8 | C7 | C12 | O2 | 178.0° | 180.0° |
| C8 | C7 | C12 | C11 | 63.2° | 60.1° |
| C7 | C8 | C9 | H9 | 179.7° | 180.0° |
| C7 | C8 | C9 | H10 | 60.6° | 60.0° |
| C8 | C7 | C12 | H12 | 55.6° | 60.0° |
| C7 | C8 | N2 | H17 | 180.0° | 173.4° |
| C7 | C8 | N2 | H18 | 60.0° | 62.7° |
| C9 | C8 | C7 | C12 | 59.8° | 60.0° |
| C8 | C9 | C10 | H9 | 120.4° | 120.0° |
| C8 | C9 | C10 | H10 | 120.4° | 120.0° |
| C8 | C9 | C10 | C11 | 59.8° | 60.0° |
| C8 | C9 | C10 | N1 | 179.3° | 180.0° |
| C9 | C8 | C7 | H7 | 59.5° | 60.0° |
| C8 | C9 | H9 | H10 | 118.7° | 120.0° |
| C8 | C9 | C10 | H11 | 58.8° | 60.0° |
| C9 | C8 | N2 | H17 | 59.6° | 53.4° |
| C9 | C8 | N2 | H18 | 179.5° | 177.4° |
| C7 | C12 | O2 | C11 | 119.4° | 120.0° |
| C7 | C12 | O2 | H12 | 121.5° | 120.0° |
| C7 | C12 | C11 | H12 | 118.5° | 120.0° |
| C7 | C12 | C11 | C10 | 63.7° | 60.0° |
| C7 | C12 | C11 | O3 | 179.8° | 180.0° |
| C7 | C12 | C11 | H6 | 56.5° | 60.0° |
| C12 | C7 | C8 | H8 | 58.4° | 59.9° |
| C7 | C12 | O2 | H45 | 180.0° | 173.6° |
| C9 | C10 | C11 | C12 | 60.8° | 60.0° |
| C9 | C10 | C11 | N1 | 120.9° | 120.0° |
| C9 | C10 | C11 | H11 | 118.8° | 120.0° |
| C9 | C10 | N1 | H11 | 120.3° | 120.0° |
| C9 | C10 | C11 | O3 | 179.8° | 180.0° |
| C9 | C10 | C11 | H6 | 59.4° | 60.0° |
| C10 | C9 | C8 | H8 | 58.2° | 60.0° |
| C10 | C9 | H9 | H10 | 118.7° | 120.0° |
| C9 | C10 | N1 | H14 | 180.0° | 60.0° |
| C9 | C10 | N1 | H15 | 60.0° | 64.0° |
| O2 | C12 | C11 | H12 | 119.8° | 120.0° |
| O2 | C12 | C11 | C10 | 174.6° | 180.0° |
| O2 | C12 | C11 | O3 | 58.5° | 60.0° |
| O2 | C12 | C11 | H6 | 65.2° | 60.0° |
| O2 | C12 | C7 | H7 | 62.6° | 60.0° |
| C12 | C11 | C10 | O3 | 119.4° | 120.0° |
| C12 | C11 | C10 | H6 | 120.2° | 120.0° |
| C12 | C11 | C10 | N1 | 178.3° | 180.0° |
| C12 | C11 | O3 | H6 | 122.9° | 120.0° |
| C12 | C11 | O3 | C13 | 121.9° | 150.6° |
| C11 | C12 | C7 | H7 | 56.2° | 60.0° |
| C12 | C11 | C10 | H11 | 58.0° | 60.0° |
| C11 | C12 | O2 | H45 | 60.6° | 66.4° |
| C11 | C10 | N1 | H11 | 120.0° | 120.0° |
| C10 | C11 | O3 | H6 | 119.5° | 120.0° |
| C10 | C11 | O3 | C13 | 120.6° | 89.5° |
| C11 | C10 | C9 | H9 | 179.8° | 180.0° |
| C11 | C10 | C9 | H10 | 60.6° | 60.0° |
| C10 | C11 | C12 | H12 | 54.8° | 60.0° |
| C11 | C10 | N1 | H14 | 60.3° | 180.0° |
| C11 | C10 | N1 | H15 | 179.7° | 56.0° |
| N1 | C10 | C11 | O3 | 58.9° | 60.0° |
| N1 | C10 | C11 | H6 | 61.5° | 60.0° |
| N1 | C10 | C9 | H9 | 58.9° | 60.0° |
| N1 | C10 | C9 | H10 | 60.2° | 60.0° |
| C10 | N1 | H14 | H15 | 120.0° | 124.0° |
| C11 | O3 | C13 | O4 | 88.8° | 71.7° |
| C11 | O3 | C13 | C14 | 144.2° | 168.3° |
| O3 | C11 | C10 | H11 | 61.4° | 60.0° |
| O3 | C11 | C12 | H12 | 61.3° | 60.0° |
| C11 | O3 | C13 | H13 | 29.3° | 48.3° |
| O3 | C13 | O4 | C14 | 123.7° | 120.0° |
| O3 | C13 | O4 | H13 | 117.9° | 120.0° |
| O3 | C13 | O4 | C17 | 60.1° | 58.8° |
| O3 | C13 | C14 | H13 | 115.4° | 120.0° |
| O3 | C13 | C14 | O6 | 56.3° | 57.5° |
| O3 | C13 | C14 | C15 | 60.1° | 62.4° |
| O3 | C13 | C14 | H3 | 179.0° | 177.6° |
| C13 | O3 | C11 | H6 | 1.1° | 30.6° |
| O4 | C13 | C14 | H13 | 119.0° | 120.0° |
| C13 | O4 | C17 | C16 | 59.6° | 61.1° |
| O4 | C13 | C14 | O6 | 178.1° | 177.5° |
| O4 | C13 | C14 | C15 | 65.5° | 57.6° |
| O4 | C13 | C14 | H3 | 55.4° | 62.4° |
| C13 | O4 | C17 | H29 | 179.5° | 58.8° |
| C13 | O4 | C17 | H30 | 60.3° | 178.8° |
| C17 | O4 | C13 | C14 | 63.6° | 61.1° |
| O4 | C17 | C16 | H29 | 119.9° | 119.9° |
| O4 | C17 | C16 | H30 | 119.9° | 120.1° |
| O4 | C17 | C16 | C18 | 175.5° | 177.5° |
| O4 | C17 | C16 | C15 | 60.4° | 57.6° |
| O4 | C17 | C16 | O5 | 58.9° | 62.4° |
| C17 | O4 | C13 | H13 | 178.0° | 178.9° |
| O4 | C17 | H29 | H30 | 120.2° | 120.0° |
| C13 | C14 | O6 | C15 | 116.3° | 119.7° |
| C13 | C14 | O6 | H3 | 122.0° | 120.2° |
| C13 | C14 | C15 | H3 | 120.5° | 120.0° |
| C13 | C14 | C15 | C16 | 58.8° | 57.0° |
| C13 | C14 | C15 | N | 179.5° | 176.9° |
| C13 | C14 | C15 | H28 | 58.1° | 62.9° |
| C13 | C14 | O6 | H47 | 180.0° | 60.4° |
| C17 | C16 | C15 | C14 | 60.1° | 56.9° |
| C17 | C16 | C18 | C15 | 121.7° | 119.7° |
| C17 | C16 | C18 | O5 | 117.2° | 120.1° |
| C17 | C16 | C15 | O5 | 119.4° | 119.9° |
| C17 | C16 | C15 | N | 179.6° | 176.9° |
| C17 | C16 | C15 | H28 | 57.9° | 63.0° |
| C16 | C17 | H29 | H30 | 120.2° | 120.1° |
| C17 | C16 | C18 | H31 | 180.0° | 179.7° |
| C17 | C16 | C18 | H32 | 60.0° | 60.3° |
| C17 | C16 | C18 | H33 | 60.0° | 59.7° |
| C17 | C16 | O5 | H46 | 180.0° | 60.1° |
| O6 | C14 | C15 | H3 | 122.1° | 120.0° |
| O6 | C14 | C15 | C16 | 176.2° | 176.9° |
| O6 | C14 | C15 | N | 62.1° | 63.2° |
| O6 | C14 | C13 | H13 | 59.1° | 62.5° |
| O6 | C14 | C15 | H28 | 59.3° | 57.0° |
| C14 | C15 | C16 | C18 | 180.0° | 176.8° |
| C14 | C15 | C16 | N | 119.5° | 119.9° |
| C14 | C15 | C16 | H28 | 118.0° | 119.9° |
| C14 | C15 | C16 | O5 | 59.2° | 63.0° |
| C14 | C15 | N | H28 | 121.4° | 120.2° |
| C14 | C15 | N | C19 | 155.7° | 85.0° |
| C15 | C14 | C13 | H13 | 175.5° | 177.6° |
| C14 | C15 | N | H24 | 34.7° | 39.0° |
| C15 | C14 | O6 | H47 | 63.7° | 179.9° |
| C18 | C16 | C15 | O5 | 120.7° | 120.2° |
| C18 | C16 | C15 | N | 60.5° | 63.2° |
| C18 | C16 | C15 | H28 | 62.0° | 56.9° |
| C18 | C16 | C17 | H29 | 55.5° | 57.6° |
| C18 | C16 | C17 | H30 | 64.6° | 62.5° |
| C16 | C18 | H31 | H32 | 120.0° | 120.0° |
| C16 | C18 | H31 | H33 | 120.0° | 120.0° |
| C16 | C18 | H32 | H33 | 120.0° | 120.1° |
| C18 | C16 | O5 | H46 | 64.3° | 60.0° |
| C16 | C15 | N | H28 | 121.6° | 120.2° |
| C16 | C15 | N | C19 | 87.4° | 155.4° |
| C16 | C15 | C14 | H3 | 61.7° | 63.1° |
| C16 | C15 | N | H24 | 151.7° | 80.6° |
| C15 | C16 | C17 | H29 | 179.7° | 62.4° |
| C15 | C16 | C17 | H30 | 59.5° | 177.6° |
| C15 | C16 | C18 | H31 | 58.3° | 60.0° |
| C15 | C16 | C18 | H32 | 178.3° | 180.0° |
| C15 | C16 | C18 | H33 | 61.7° | 60.0° |
| C15 | C16 | O5 | H46 | 60.0° | 179.8° |
| O5 | C16 | C15 | N | 60.3° | 56.9° |
| O5 | C16 | C15 | H28 | 177.3° | 177.1° |
| O5 | C16 | C17 | H29 | 61.1° | 177.7° |
| O5 | C16 | C17 | H30 | 178.8° | 57.7° |
| O5 | C16 | C18 | H31 | 62.8° | 60.2° |
| O5 | C16 | C18 | H32 | 57.2° | 59.8° |
| O5 | C16 | C18 | H33 | 177.1° | 179.9° |
| C15 | N | C19 | H24 | 120.9° | 123.9° |
| N | C15 | C14 | H3 | 60.0° | 56.8° |
| C15 | N | C19 | H34 | 180.0° | 180.0° |
| C15 | N | C19 | H35 | 60.0° | 60.1° |
| C15 | N | C19 | H36 | 60.0° | 60.0° |
| C19 | N | C15 | H28 | 34.2° | 35.2° |
| N | C19 | H34 | H35 | 120.0° | 119.9° |
| N | C19 | H34 | H36 | 120.0° | 120.0° |
| N | C19 | H35 | H36 | 120.0° | 120.0° |
| H1 | C4 | C5 | H4 | 63.2° | 177.2° |
| H1 | C4 | C3 | H20 | 59.2° | 57.0° |
| H1 | C4 | C3 | H21 | 60.7° | 177.2° |
| H2 | C4 | C5 | H4 | 175.8° | 57.0° |
| H2 | C4 | C3 | H20 | 61.8° | 63.2° |
| H2 | C4 | C3 | H21 | 178.3° | 57.0° |
| H3 | C14 | C13 | H13 | 63.6° | 57.6° |
| H3 | C14 | C15 | H28 | 178.7° | 177.0° |
| H3 | C14 | O6 | H47 | 58.0° | 59.8° |
| H4 | C5 | C6 | H5 | 65.3° | 57.8° |
| H4 | C5 | N3 | H22 | 122.8° | 144.8° |
| H6 | C11 | C10 | H11 | 178.2° | 180.0° |
| H6 | C11 | C12 | H12 | 175.0° | 180.0° |
| H7 | C7 | C8 | H8 | 177.6° | 180.0° |
| H7 | C7 | C12 | H12 | 175.0° | NaN° |
| H8 | C8 | C9 | H9 | 62.2° | 60.0° |
| H8 | C8 | C9 | H10 | 178.6° | 180.0° |
| H8 | C8 | N2 | H17 | 60.5° | 66.5° |
| H8 | C8 | N2 | H18 | 59.5° | 57.4° |
| H9 | C9 | C10 | H11 | 61.6° | 60.0° |
| H10 | C9 | C10 | H11 | 179.2° | 180.0° |
| H11 | C10 | N1 | H14 | 59.6° | 60.0° |
| H11 | C10 | N1 | H15 | 60.4° | 176.0° |
| H12 | C12 | O2 | H45 | 58.5° | 53.5° |
| H20 | C3 | C2 | H37 | 61.5° | 57.4° |
| H21 | C3 | C2 | H37 | 178.6° | 177.7° |
| H24 | N | C15 | H28 | 86.7° | 159.2° |
| H24 | N | C19 | H34 | 59.1° | 56.1° |
| H24 | N | C19 | H35 | 179.1° | 176.0° |
| H24 | N | C19 | H36 | 60.9° | 63.9° |
| H26 | C1 | C2 | H37 | 39.7° | 65.0° |
| H26 | C1 | N4 | H42 | 59.1° | 64.0° |
| H26 | C1 | N4 | H43 | 179.1° | 60.0° |
| H27 | C1 | C2 | H37 | 157.8° | 175.0° |
| H27 | C1 | N4 | H42 | 59.0° | 176.0° |
| H27 | C1 | N4 | H43 | 61.0° | 60.0° |
| H31 | C18 | H32 | H33 | 120.0° | 120.0° |
| H34 | C19 | H35 | H36 | 120.0° | 120.1° |
| H38 | CAC | H39 | H40 | 120.0° | 120.0° |
