PVN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C31 | C3 | sing | 1.51Å | 1.58Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | HXT | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.51Å | 1.54Å | |
| C3 | C2 | doub | 1.33Å | 1.37Å | |
| C2 | C21 | sing | 1.51Å | 1.53Å | |
| C2 | C1 | sing | 1.47Å | 1.49Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C1 | O1 | doub | 1.22Å | 1.20Å | |
| C1 | N1 | sing | 1.35Å | 1.35Å | |
| N1 | C4 | sing | 1.47Å | 1.40Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | HC4 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| C5 | H5C2 | sing | 1.09Å | 1.10Å | |
| C5 | H5C1 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | doub | 1.36Å | 1.40Å | Aromatic |
| C6 | N2 | sing | 1.35Å | 1.38Å | Aromatic |
| C7 | C41 | sing | 1.51Å | 1.48Å | |
| C7 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C41 | H413 | sing | 1.09Å | 1.10Å | |
| N2 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C9 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.44Å | |
| C8 | C51 | sing | 1.51Å | 1.52Å | |
| C51 | C52 | sing | 1.53Å | 1.54Å | |
| C51 | H511 | sing | 1.09Å | 1.10Å | |
| C51 | H512 | sing | 1.09Å | 1.10Å | |
| C52 | C53 | sing | 1.51Å | 1.51Å | |
| C52 | H522 | sing | 1.09Å | 1.10Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| C53 | O54 | sing | 1.34Å | 1.27Å | |
| C53 | O55 | doub | 1.21Å | 1.26Å | |
| O54 | H54 | sing | 0.97Å | 0.95Å | |
| C10 | C11 | doub | 1.41Å | 1.42Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | sing | 1.42Å | 1.43Å | |
| C11 | N3 | sing | 1.34Å | 1.40Å | |
| C12 | C61 | sing | 1.51Å | 1.51Å | |
| C12 | C13 | doub | 1.36Å | 1.38Å | |
| C61 | H611 | sing | 1.09Å | 1.10Å | |
| C61 | H612 | sing | 1.09Å | 1.10Å | |
| C61 | C62 | sing | 1.53Å | 1.54Å | |
| C62 | H621 | sing | 1.09Å | 1.10Å | |
| C62 | H622 | sing | 1.09Å | 1.10Å | |
| C62 | C63 | sing | 1.51Å | 1.50Å | |
| C63 | O65 | sing | 1.34Å | 1.26Å | |
| C63 | O64 | doub | 1.21Å | 1.26Å | |
| O65 | H65 | sing | 0.97Å | 0.95Å | |
| N3 | C14 | doub | 1.33Å | 1.35Å | |
| C14 | C13 | sing | 1.42Å | 1.41Å | |
| C14 | C15 | sing | 1.46Å | 1.45Å | |
| C13 | C71 | sing | 1.51Å | 1.51Å | |
| C71 | H713 | sing | 1.09Å | 1.10Å | |
| C71 | H711 | sing | 1.09Å | 1.10Å | |
| C71 | H712 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | doub | 1.38Å | 1.43Å | |
| C16 | C17 | sing | 1.41Å | 1.46Å | |
| C16 | N4 | sing | 1.39Å | 1.41Å | |
| C17 | C81 | sing | 1.51Å | 1.49Å | |
| C17 | C18 | doub | 1.36Å | 1.40Å | |
| C81 | H811 | sing | 1.09Å | 1.10Å | |
| C81 | H812 | sing | 1.09Å | 1.10Å | |
| C81 | H813 | sing | 1.09Å | 1.10Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| N4 | C19 | sing | 1.35Å | 1.37Å | |
| C19 | O19 | doub | 1.22Å | 1.23Å | |
| C19 | C18 | sing | 1.41Å | 1.42Å | |
| C18 | C91 | sing | 1.51Å | 1.53Å | |
| C91 | H911 | sing | 1.09Å | 1.10Å | |
| C91 | H912 | sing | 1.09Å | 1.10Å | |
| C91 | C92 | sing | 1.53Å | 1.54Å | |
| C92 | H921 | sing | 1.09Å | 1.10Å | |
| C92 | H922 | sing | 1.09Å | 1.10Å | |
| C92 | H923 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | C31 | C3 | 110.7° | 109.5° |
| C32 | C31 | H31 | 109.2° | 109.5° |
| C32 | C31 | HXT | 109.2° | 109.5° |
| C31 | C32 | H323 | 109.5° | 109.5° |
| C31 | C32 | H321 | 109.5° | 109.5° |
| C31 | C32 | H322 | 109.5° | 109.5° |
| C3 | C31 | H31 | 109.2° | 109.5° |
| C3 | C31 | HXT | 109.1° | 109.4° |
| C31 | C3 | C4 | 125.6° | 126.5° |
| C31 | C3 | C2 | 126.7° | 126.5° |
| H31 | C31 | HXT | 109.5° | 109.5° |
| H323 | C32 | H321 | 109.5° | 109.5° |
| H323 | C32 | H322 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.4° |
| C4 | C3 | C2 | 107.7° | 107.0° |
| C3 | C4 | N1 | 106.0° | 105.8° |
| C3 | C4 | C5 | 116.6° | 110.2° |
| C3 | C4 | HC4 | 105.6° | 110.2° |
| C3 | C2 | C21 | 129.6° | 125.1° |
| C3 | C2 | C1 | 105.8° | 109.8° |
| C21 | C2 | C1 | 124.6° | 125.1° |
| C2 | C21 | H212 | 109.5° | 109.5° |
| C2 | C21 | H213 | 109.5° | 109.4° |
| C2 | C21 | H211 | 109.5° | 109.5° |
| C2 | C1 | O1 | 123.7° | 125.0° |
| C2 | C1 | N1 | 111.2° | 110.0° |
| H212 | C21 | H213 | 109.5° | 109.5° |
| H212 | C21 | H211 | 109.5° | 109.6° |
| H213 | C21 | H211 | 109.5° | 109.5° |
| O1 | C1 | N1 | 125.1° | 125.1° |
| C1 | N1 | C4 | 109.2° | 107.4° |
| C1 | N1 | HN1 | 125.4° | 126.3° |
| C4 | N1 | HN1 | 125.4° | 126.4° |
| N1 | C4 | C5 | 114.9° | 110.0° |
| N1 | C4 | HC4 | 107.2° | 110.2° |
| C5 | C4 | HC4 | 105.8° | 110.2° |
| C4 | C5 | C6 | 116.8° | 109.5° |
| C4 | C5 | H5C2 | 107.6° | 109.5° |
| C4 | C5 | H5C1 | 107.6° | 109.4° |
| C6 | C5 | H5C2 | 107.6° | 109.5° |
| C6 | C5 | H5C1 | 107.6° | 109.5° |
| C5 | C6 | C7 | 126.4° | 125.4° |
| C5 | C6 | N2 | 124.7° | 125.4° |
| H5C2 | C5 | H5C1 | 109.4° | 109.5° |
| C7 | C6 | N2 | 108.8° | 109.2° |
| C6 | C7 | C41 | 128.7° | 126.0° |
| C6 | C7 | C8 | 107.4° | 108.1° |
| C6 | N2 | C9 | 108.1° | 108.7° |
| C6 | N2 | HN2 | 125.9° | 125.7° |
| C41 | C7 | C8 | 123.9° | 125.9° |
| C7 | C41 | H411 | 109.5° | 109.5° |
| C7 | C41 | H412 | 109.5° | 109.5° |
| C7 | C41 | H413 | 109.5° | 109.4° |
| C7 | C8 | C9 | 107.5° | 106.8° |
| C7 | C8 | C51 | 121.7° | 126.6° |
| H411 | C41 | H412 | 109.5° | 109.5° |
| H411 | C41 | H413 | 109.5° | 109.4° |
| H412 | C41 | H413 | 109.4° | 109.5° |
| C9 | N2 | HN2 | 126.0° | 125.6° |
| N2 | C9 | C8 | 108.1° | 107.2° |
| N2 | C9 | C10 | 126.6° | 126.4° |
| C8 | C9 | C10 | 125.2° | 126.4° |
| C9 | C8 | C51 | 130.8° | 126.6° |
| C9 | C10 | C11 | 127.6° | 120.0° |
| C9 | C10 | H101 | 116.2° | 120.1° |
| C8 | C51 | C52 | 113.2° | 109.5° |
| C8 | C51 | H511 | 108.5° | 109.5° |
| C8 | C51 | H512 | 108.5° | 109.4° |
| C52 | C51 | H511 | 108.5° | 109.5° |
| C52 | C51 | H512 | 108.5° | 109.5° |
| C51 | C52 | C53 | 110.0° | 109.5° |
| C51 | C52 | H522 | 109.3° | 109.5° |
| C51 | C52 | H521 | 109.3° | 109.5° |
| H511 | C51 | H512 | 109.5° | 109.5° |
| C53 | C52 | H522 | 109.4° | 109.4° |
| C53 | C52 | H521 | 109.3° | 109.5° |
| C52 | C53 | O54 | 119.1° | 120.0° |
| C52 | C53 | O55 | 118.6° | 120.0° |
| H522 | C52 | H521 | 109.4° | 109.4° |
| O54 | C53 | O55 | 122.3° | 120.0° |
| C53 | O54 | H54 | 109.5° | 117.0° |
| C11 | C10 | H101 | 116.2° | 120.0° |
| C10 | C11 | C12 | 124.5° | 125.8° |
| C10 | C11 | N3 | 127.7° | 125.8° |
| C12 | C11 | N3 | 107.8° | 108.3° |
| C11 | C12 | C61 | 126.4° | 126.7° |
| C11 | C12 | C13 | 106.9° | 106.7° |
| C11 | N3 | C14 | 107.7° | 109.5° |
| C61 | C12 | C13 | 126.7° | 126.6° |
| C12 | C61 | H611 | 108.2° | 109.5° |
| C12 | C61 | H612 | 108.2° | 109.5° |
| C12 | C61 | C62 | 114.4° | 109.5° |
| C12 | C13 | C14 | 107.5° | 107.0° |
| C12 | C13 | C71 | 127.1° | 126.5° |
| H611 | C61 | H612 | 109.5° | 109.5° |
| H611 | C61 | C62 | 108.2° | 109.4° |
| H612 | C61 | C62 | 108.2° | 109.5° |
| C61 | C62 | H621 | 108.9° | 109.4° |
| C61 | C62 | H622 | 108.9° | 109.5° |
| C61 | C62 | C63 | 111.5° | 109.5° |
| H621 | C62 | H622 | 109.5° | 109.5° |
| H621 | C62 | C63 | 109.0° | 109.5° |
| H622 | C62 | C63 | 108.9° | 109.5° |
| C62 | C63 | O65 | 118.3° | 120.0° |
| C62 | C63 | O64 | 118.3° | 120.0° |
| O65 | C63 | O64 | 123.4° | 120.0° |
| C63 | O65 | H65 | 109.5° | 117.0° |
| N3 | C14 | C13 | 110.1° | 108.5° |
| N3 | C14 | C15 | 124.5° | 125.7° |
| C13 | C14 | C15 | 125.4° | 125.8° |
| C14 | C13 | C71 | 125.5° | 126.5° |
| C14 | C15 | H151 | 116.8° | 120.0° |
| C14 | C15 | C16 | 126.4° | 120.0° |
| C13 | C71 | H713 | 109.5° | 109.5° |
| C13 | C71 | H711 | 109.4° | 109.5° |
| C13 | C71 | H712 | 109.5° | 109.5° |
| H713 | C71 | H711 | 109.5° | 109.4° |
| H713 | C71 | H712 | 109.4° | 109.4° |
| H711 | C71 | H712 | 109.5° | 109.5° |
| H151 | C15 | C16 | 116.8° | 120.0° |
| C15 | C16 | C17 | 128.1° | 126.2° |
| C15 | C16 | N4 | 122.5° | 126.3° |
| C17 | C16 | N4 | 109.4° | 107.6° |
| C16 | C17 | C81 | 128.5° | 126.3° |
| C16 | C17 | C18 | 106.2° | 107.4° |
| C16 | N4 | HN4 | 127.1° | 125.9° |
| C16 | N4 | C19 | 105.7° | 108.3° |
| C81 | C17 | C18 | 125.3° | 126.3° |
| C17 | C81 | H811 | 109.5° | 109.5° |
| C17 | C81 | H812 | 109.4° | 109.5° |
| C17 | C81 | H813 | 109.5° | 109.5° |
| C17 | C18 | C19 | 106.4° | 108.1° |
| C17 | C18 | C91 | 127.2° | 126.0° |
| H811 | C81 | H812 | 109.5° | 109.5° |
| H811 | C81 | H813 | 109.4° | 109.5° |
| H812 | C81 | H813 | 109.5° | 109.5° |
| HN4 | N4 | C19 | 127.2° | 125.8° |
| N4 | C19 | O19 | 124.0° | 125.7° |
| N4 | C19 | C18 | 112.2° | 108.6° |
| O19 | C19 | C18 | 123.8° | 125.7° |
| C19 | C18 | C91 | 126.4° | 125.9° |
| C18 | C91 | H911 | 108.9° | 109.5° |
| C18 | C91 | H912 | 108.9° | 109.4° |
| C18 | C91 | C92 | 111.6° | 109.4° |
| H911 | C91 | H912 | 109.5° | 109.5° |
| H911 | C91 | C92 | 108.9° | 109.5° |
| H912 | C91 | C92 | 108.9° | 109.5° |
| C91 | C92 | H921 | 109.5° | 109.5° |
| C91 | C92 | H922 | 109.5° | 109.5° |
| C91 | C92 | H923 | 109.5° | 109.5° |
| H921 | C92 | H922 | 109.5° | 109.4° |
| H921 | C92 | H923 | 109.5° | 109.5° |
| H922 | C92 | H923 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | C31 | C3 | H31 | 120.2° | 120.0° |
| C32 | C31 | C3 | HXT | 120.2° | 120.0° |
| C32 | C31 | H31 | HXT | 119.4° | 120.1° |
| C31 | C32 | H323 | H321 | 120.0° | 120.0° |
| C31 | C32 | H323 | H322 | 120.0° | 120.0° |
| C31 | C32 | H321 | H322 | 120.0° | 120.0° |
| C32 | C31 | C3 | C4 | 113.5° | 85.0° |
| C32 | C31 | C3 | C2 | 66.7° | 95.3° |
| C3 | C31 | H31 | HXT | 119.4° | 119.9° |
| C3 | C31 | C32 | H323 | 180.0° | 60.0° |
| C3 | C31 | C32 | H321 | 60.0° | 60.0° |
| C3 | C31 | C32 | H322 | 60.0° | 180.0° |
| C31 | C3 | C4 | C2 | 179.8° | 179.7° |
| C31 | C3 | C2 | C21 | 0.1° | 0.0° |
| C31 | C3 | C2 | C1 | 180.0° | 180.0° |
| C31 | C3 | C4 | N1 | 179.8° | 179.9° |
| C31 | C3 | C4 | C5 | 51.0° | 61.0° |
| C31 | C3 | C4 | HC4 | 66.2° | 60.9° |
| H31 | C31 | C32 | H323 | 59.8° | 60.0° |
| H31 | C31 | C32 | H321 | 60.2° | 180.0° |
| H31 | C31 | C32 | H322 | 179.8° | 60.0° |
| H31 | C31 | C3 | C4 | 6.7° | 155.0° |
| H31 | C31 | C3 | C2 | 173.1° | 24.7° |
| HXT | C31 | C32 | H323 | 59.8° | 180.0° |
| HXT | C31 | C32 | H321 | 179.8° | 59.9° |
| HXT | C31 | C32 | H322 | 60.2° | 60.0° |
| HXT | C31 | C3 | C4 | 126.3° | 35.0° |
| HXT | C31 | C3 | C2 | 53.5° | 144.7° |
| H323 | C32 | H321 | H322 | 120.0° | 120.0° |
| C4 | C3 | C2 | C21 | 179.9° | 179.7° |
| C4 | C3 | C2 | C1 | 0.3° | 0.3° |
| C3 | C4 | N1 | C1 | 0.5° | 0.4° |
| C3 | C4 | N1 | C5 | 130.3° | 119.0° |
| C3 | C4 | N1 | HC4 | 112.4° | 119.2° |
| C3 | C4 | N1 | HN1 | 179.6° | 179.8° |
| C3 | C4 | C5 | HC4 | 117.0° | 121.9° |
| C3 | C4 | C5 | C6 | 167.7° | 174.5° |
| C3 | C4 | C5 | H5C2 | 46.6° | 65.4° |
| C3 | C4 | C5 | H5C1 | 71.2° | 54.5° |
| C3 | C2 | C21 | C1 | 179.8° | 180.0° |
| C3 | C2 | C21 | H212 | 180.0° | 90.1° |
| C3 | C2 | C21 | H213 | 60.0° | 150.0° |
| C3 | C2 | C21 | H211 | 60.0° | 30.0° |
| C3 | C2 | C1 | O1 | 180.0° | 180.0° |
| C3 | C2 | C1 | N1 | 0.0° | 0.0° |
| C2 | C3 | C4 | N1 | 0.5° | 0.4° |
| C2 | C3 | C4 | C5 | 128.8° | 119.3° |
| C2 | C3 | C4 | HC4 | 114.0° | 118.8° |
| C2 | C21 | H212 | H213 | 120.0° | 119.9° |
| C2 | C21 | H212 | H211 | 120.0° | 120.1° |
| C2 | C21 | H213 | H211 | 120.0° | 120.0° |
| C21 | C2 | C1 | O1 | 0.2° | 0.0° |
| C21 | C2 | C1 | N1 | 179.9° | 180.0° |
| C1 | C2 | C21 | H212 | 0.2° | 90.0° |
| C1 | C2 | C21 | H213 | 120.2° | 30.0° |
| C1 | C2 | C21 | H211 | 119.8° | 149.9° |
| C2 | C1 | O1 | N1 | 179.9° | 179.9° |
| C2 | C1 | N1 | C4 | 0.3° | 0.2° |
| C2 | C1 | N1 | HN1 | 179.7° | 180.0° |
| H212 | C21 | H213 | H211 | 120.0° | 120.1° |
| O1 | C1 | N1 | C4 | 179.6° | 179.7° |
| O1 | C1 | N1 | HN1 | 0.3° | 0.1° |
| C1 | N1 | C4 | HN1 | 180.0° | 179.8° |
| C1 | N1 | C4 | C5 | 129.8° | 119.4° |
| C1 | N1 | C4 | HC4 | 112.9° | 118.8° |
| N1 | C4 | C5 | HC4 | 118.1° | 121.8° |
| N1 | C4 | C5 | C6 | 67.4° | 69.2° |
| N1 | C4 | C5 | H5C2 | 171.5° | 50.9° |
| N1 | C4 | C5 | H5C1 | 53.7° | 170.8° |
| HN1 | N1 | C4 | C5 | 50.2° | 60.8° |
| HN1 | N1 | C4 | HC4 | 67.1° | 61.0° |
| C4 | C5 | C6 | H5C2 | 121.1° | 120.0° |
| C4 | C5 | C6 | H5C1 | 121.1° | 119.9° |
| C4 | C5 | H5C2 | H5C1 | 116.7° | 119.9° |
| C4 | C5 | C6 | C7 | 83.4° | 80.1° |
| C4 | C5 | C6 | N2 | 97.3° | 100.1° |
| HC4 | C4 | C5 | C6 | 50.6° | 52.6° |
| HC4 | C4 | C5 | H5C2 | 70.4° | 172.7° |
| HC4 | C4 | C5 | H5C1 | 171.7° | 67.4° |
| C6 | C5 | H5C2 | H5C1 | 116.6° | 120.0° |
| C5 | C6 | C7 | N2 | 179.4° | 179.8° |
| C5 | C6 | C7 | C41 | 0.0° | 0.0° |
| C5 | C6 | C7 | C8 | 179.9° | 180.0° |
| C5 | C6 | N2 | C9 | 179.7° | 180.0° |
| C5 | C6 | N2 | HN2 | 0.3° | 0.1° |
| H5C2 | C5 | C6 | C7 | 155.5° | 159.8° |
| H5C2 | C5 | C6 | N2 | 23.8° | 19.9° |
| H5C1 | C5 | C6 | C7 | 37.7° | 39.8° |
| H5C1 | C5 | C6 | N2 | 141.6° | 139.9° |
| C6 | C7 | C41 | C8 | 179.9° | 180.0° |
| C6 | C7 | C41 | H411 | 90.0° | 89.9° |
| C6 | C7 | C41 | H412 | 150.0° | 150.0° |
| C6 | C7 | C41 | H413 | 30.1° | 30.0° |
| C7 | C6 | N2 | C9 | 0.2° | 0.2° |
| C7 | C6 | N2 | HN2 | 179.8° | 179.7° |
| C6 | C7 | C8 | C9 | 0.9° | 0.2° |
| C6 | C7 | C8 | C51 | 179.4° | 180.0° |
| N2 | C6 | C7 | C41 | 179.4° | 179.7° |
| N2 | C6 | C7 | C8 | 0.7° | 0.2° |
| C6 | N2 | C9 | HN2 | 180.0° | 179.9° |
| C6 | N2 | C9 | C8 | 0.3° | 0.1° |
| C6 | N2 | C9 | C10 | 179.7° | 180.0° |
| C7 | C41 | H411 | H412 | 120.0° | 120.1° |
| C7 | C41 | H411 | H413 | 120.0° | 119.9° |
| C7 | C41 | H412 | H413 | 120.0° | 120.0° |
| C41 | C7 | C8 | C9 | 179.2° | 179.8° |
| C41 | C7 | C8 | C51 | 0.5° | 0.0° |
| C8 | C7 | C41 | H411 | 89.9° | 90.1° |
| C8 | C7 | C41 | H412 | 30.1° | 30.0° |
| C8 | C7 | C41 | H413 | 150.0° | 150.0° |
| C7 | C8 | C9 | N2 | 0.7° | 0.0° |
| C7 | C8 | C9 | C51 | 179.7° | 179.8° |
| C7 | C8 | C9 | C10 | 179.3° | 179.8° |
| C7 | C8 | C51 | C52 | 85.8° | 90.0° |
| C7 | C8 | C51 | H511 | 34.8° | 150.0° |
| C7 | C8 | C51 | H512 | 153.7° | 30.0° |
| H411 | C41 | H412 | H413 | 120.0° | 120.0° |
| N2 | C9 | C8 | C10 | 180.0° | 179.9° |
| N2 | C9 | C8 | C51 | 179.6° | 179.8° |
| N2 | C9 | C10 | C11 | 13.1° | 16.5° |
| N2 | C9 | C10 | H101 | 166.9° | 163.4° |
| HN2 | N2 | C9 | C8 | 179.7° | 179.8° |
| HN2 | N2 | C9 | C10 | 0.3° | 0.1° |
| C9 | C8 | C51 | C52 | 93.9° | 89.8° |
| C9 | C8 | C51 | H511 | 145.5° | 30.2° |
| C9 | C8 | C51 | H512 | 26.6° | 150.2° |
| C8 | C9 | C10 | C11 | 166.9° | 163.3° |
| C8 | C9 | C10 | H101 | 13.1° | 16.8° |
| C10 | C9 | C8 | C51 | 0.4° | 0.0° |
| C9 | C10 | C11 | H101 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 174.5° | 166.0° |
| C9 | C10 | C11 | N3 | 4.4° | 14.4° |
| C8 | C51 | C52 | H511 | 120.6° | 120.0° |
| C8 | C51 | C52 | H512 | 120.5° | 120.0° |
| C8 | C51 | H511 | H512 | 118.3° | 120.0° |
| C8 | C51 | C52 | C53 | 101.7° | 180.0° |
| C8 | C51 | C52 | H522 | 18.4° | 60.0° |
| C8 | C51 | C52 | H521 | 138.1° | 60.0° |
| C52 | C51 | H511 | H512 | 118.3° | 120.0° |
| C51 | C52 | C53 | H522 | 120.1° | 120.0° |
| C51 | C52 | C53 | H521 | 120.1° | 120.0° |
| C51 | C52 | H522 | H521 | 119.7° | 120.0° |
| C51 | C52 | C53 | O54 | 42.0° | 180.0° |
| C51 | C52 | C53 | O55 | 138.0° | 0.0° |
| H511 | C51 | C52 | C53 | 137.7° | 60.0° |
| H511 | C51 | C52 | H522 | 102.2° | 60.0° |
| H511 | C51 | C52 | H521 | 17.6° | 179.9° |
| H512 | C51 | C52 | C53 | 18.8° | 60.0° |
| H512 | C51 | C52 | H522 | 138.9° | 180.0° |
| H512 | C51 | C52 | H521 | 101.3° | 60.0° |
| C53 | C52 | H522 | H521 | 119.7° | 120.0° |
| C52 | C53 | O54 | O55 | 180.0° | 180.0° |
| C52 | C53 | O54 | H54 | 180.0° | 180.0° |
| H522 | C52 | C53 | O54 | 162.1° | 60.0° |
| H522 | C52 | C53 | O55 | 17.9° | 120.0° |
| H521 | C52 | C53 | O54 | 78.1° | 59.9° |
| H521 | C52 | C53 | O55 | 101.8° | 120.1° |
| O55 | C53 | O54 | H54 | 0.0° | 0.0° |
| C10 | C11 | C12 | N3 | 179.1° | 179.7° |
| C10 | C11 | C12 | C61 | 0.9° | 0.0° |
| C10 | C11 | C12 | C13 | 178.5° | 179.9° |
| C10 | C11 | N3 | C14 | 178.4° | 179.9° |
| H101 | C10 | C11 | C12 | 5.5° | 14.0° |
| H101 | C10 | C11 | N3 | 175.6° | 165.7° |
| C11 | C12 | C61 | C13 | 179.3° | 180.0° |
| C11 | C12 | C61 | H611 | 1.1° | 35.0° |
| C11 | C12 | C61 | H612 | 119.7° | 155.0° |
| C11 | C12 | C61 | C62 | 119.6° | 85.0° |
| C12 | C11 | N3 | C14 | 0.6° | 0.2° |
| C11 | C12 | C13 | C14 | 0.3° | 0.2° |
| C11 | C12 | C13 | C71 | 179.2° | 180.0° |
| N3 | C11 | C12 | C61 | 179.9° | 179.7° |
| N3 | C11 | C12 | C13 | 0.6° | 0.2° |
| C11 | N3 | C14 | C13 | 0.4° | 0.1° |
| C11 | N3 | C14 | C15 | 176.8° | 180.0° |
| C12 | C61 | H611 | H612 | 117.8° | 120.1° |
| C12 | C61 | H611 | C62 | 124.5° | 120.0° |
| C12 | C61 | H612 | C62 | 124.5° | 120.0° |
| C12 | C61 | C62 | H621 | 174.9° | 60.0° |
| C12 | C61 | C62 | H622 | 65.8° | 59.9° |
| C12 | C61 | C62 | C63 | 54.5° | 180.0° |
| C61 | C12 | C13 | C14 | 179.7° | 179.8° |
| C61 | C12 | C13 | C71 | 0.2° | 0.1° |
| C13 | C12 | C61 | H611 | 178.1° | 145.0° |
| C13 | C12 | C61 | H612 | 59.5° | 25.0° |
| C13 | C12 | C61 | C62 | 61.2° | 95.0° |
| C12 | C13 | C14 | N3 | 0.1° | 0.0° |
| C12 | C13 | C14 | C71 | 179.5° | 179.9° |
| C12 | C13 | C14 | C15 | 177.2° | 179.8° |
| C12 | C13 | C71 | H713 | 180.0° | 90.0° |
| C12 | C13 | C71 | H711 | 60.0° | 150.0° |
| C12 | C13 | C71 | H712 | 60.0° | 30.0° |
| H611 | C61 | H612 | C62 | 117.7° | 119.9° |
| H611 | C61 | C62 | H621 | 54.1° | 180.0° |
| H611 | C61 | C62 | H622 | 173.5° | 60.0° |
| H611 | C61 | C62 | C63 | 66.2° | 60.0° |
| H612 | C61 | C62 | H621 | 64.4° | 60.0° |
| H612 | C61 | C62 | H622 | 55.0° | 180.0° |
| H612 | C61 | C62 | C63 | 175.3° | 59.9° |
| C61 | C62 | H621 | H622 | 119.1° | 120.0° |
| C61 | C62 | H621 | C63 | 121.9° | 120.0° |
| C61 | C62 | H622 | C63 | 121.9° | 120.0° |
| C61 | C62 | C63 | O65 | 97.9° | 180.0° |
| C61 | C62 | C63 | O64 | 81.3° | 0.1° |
| H621 | C62 | H622 | C63 | 119.1° | 120.0° |
| H621 | C62 | C63 | O65 | 141.8° | 60.0° |
| H621 | C62 | C63 | O64 | 39.0° | 120.0° |
| H622 | C62 | C63 | O65 | 22.4° | 60.0° |
| H622 | C62 | C63 | O64 | 158.4° | 120.0° |
| C62 | C63 | O65 | O64 | 179.1° | 180.0° |
| C62 | C63 | O65 | H65 | 179.1° | 180.0° |
| O64 | C63 | O65 | H65 | 0.0° | 0.0° |
| N3 | C14 | C13 | C15 | 177.2° | 179.9° |
| N3 | C14 | C13 | C71 | 179.5° | 179.9° |
| N3 | C14 | C15 | H151 | 105.7° | 138.5° |
| N3 | C14 | C15 | C16 | 74.3° | 41.5° |
| C14 | C13 | C71 | H713 | 0.6° | 89.9° |
| C14 | C13 | C71 | H711 | 120.6° | 30.1° |
| C14 | C13 | C71 | H712 | 119.4° | 150.2° |
| C13 | C14 | C15 | H151 | 77.5° | 41.6° |
| C13 | C14 | C15 | C16 | 102.5° | 138.3° |
| C15 | C14 | C13 | C71 | 2.3° | 0.1° |
| C14 | C15 | H151 | C16 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 20.6° | 48.1° |
| C14 | C15 | C16 | N4 | 160.1° | 132.3° |
| C13 | C71 | H713 | H711 | 120.0° | 120.0° |
| C13 | C71 | H713 | H712 | 120.0° | 120.0° |
| C13 | C71 | H711 | H712 | 120.0° | 120.0° |
| H713 | C71 | H711 | H712 | 120.0° | 119.9° |
| H151 | C15 | C16 | C17 | 159.4° | 132.0° |
| H151 | C15 | C16 | N4 | 19.9° | 47.7° |
| C15 | C16 | C17 | N4 | 179.3° | 179.7° |
| C15 | C16 | C17 | C81 | 0.5° | 0.0° |
| C15 | C16 | C17 | C18 | 179.3° | 180.0° |
| C15 | C16 | N4 | HN4 | 0.7° | 0.1° |
| C15 | C16 | N4 | C19 | 179.3° | 180.0° |
| C16 | C17 | C81 | C18 | 179.8° | 180.0° |
| C16 | C17 | C81 | H811 | 180.0° | 2.2° |
| C16 | C17 | C81 | H812 | 60.0° | 122.2° |
| C16 | C17 | C81 | H813 | 60.0° | 117.8° |
| C17 | C16 | N4 | HN4 | 180.0° | 179.8° |
| C17 | C16 | N4 | C19 | 0.1° | 0.3° |
| C16 | C17 | C18 | C19 | 0.1° | 0.1° |
| C16 | C17 | C18 | C91 | 179.9° | 180.0° |
| N4 | C16 | C17 | C81 | 179.8° | 179.7° |
| N4 | C16 | C17 | C18 | 0.0° | 0.3° |
| C16 | N4 | HN4 | C19 | 180.0° | 179.9° |
| C16 | N4 | C19 | O19 | 179.9° | 180.0° |
| C16 | N4 | C19 | C18 | 0.1° | 0.2° |
| C17 | C81 | H811 | H812 | 120.0° | 120.0° |
| C17 | C81 | H811 | H813 | 120.0° | 120.0° |
| C17 | C81 | H812 | H813 | 120.0° | 120.0° |
| C81 | C17 | C18 | C19 | 179.8° | 179.8° |
| C81 | C17 | C18 | C91 | 0.2° | 0.1° |
| C18 | C17 | C81 | H811 | 0.2° | 177.8° |
| C18 | C17 | C81 | H812 | 119.8° | 57.8° |
| C18 | C17 | C81 | H813 | 120.2° | 62.2° |
| C17 | C18 | C19 | N4 | 0.2° | 0.0° |
| C17 | C18 | C19 | O19 | 179.9° | 179.9° |
| C17 | C18 | C19 | C91 | 180.0° | 179.9° |
| C17 | C18 | C91 | H911 | 8.6° | 146.1° |
| C17 | C18 | C91 | H912 | 128.0° | 26.1° |
| C17 | C18 | C91 | C92 | 111.7° | 93.9° |
| H811 | C81 | H812 | H813 | 120.0° | 120.0° |
| HN4 | N4 | C19 | O19 | 0.0° | 0.0° |
| HN4 | N4 | C19 | C18 | 179.9° | 179.9° |
| N4 | C19 | O19 | C18 | 179.9° | 179.8° |
| N4 | C19 | C18 | C91 | 179.9° | 179.9° |
| O19 | C19 | C18 | C91 | 0.0° | 0.0° |
| C19 | C18 | C91 | H911 | 171.5° | 34.0° |
| C19 | C18 | C91 | H912 | 52.1° | 154.1° |
| C19 | C18 | C91 | C92 | 68.2° | 86.0° |
| C18 | C91 | H911 | H912 | 119.0° | 120.0° |
| C18 | C91 | H911 | C92 | 121.9° | 120.0° |
| C18 | C91 | H912 | C92 | 121.9° | 119.9° |
| C18 | C91 | C92 | H921 | 180.0° | 65.0° |
| C18 | C91 | C92 | H922 | 60.0° | 175.0° |
| C18 | C91 | C92 | H923 | 60.0° | 55.1° |
| H911 | C91 | H912 | C92 | 119.1° | 120.1° |
| H911 | C91 | C92 | H921 | 59.7° | 55.0° |
| H911 | C91 | C92 | H922 | 179.7° | 65.0° |
| H911 | C91 | C92 | H923 | 60.3° | 175.1° |
| H912 | C91 | C92 | H921 | 59.7° | 175.1° |
| H912 | C91 | C92 | H922 | 60.3° | 55.1° |
| H912 | C91 | C92 | H923 | 179.7° | 64.9° |
| C91 | C92 | H921 | H922 | 120.0° | 120.0° |
| C91 | C92 | H921 | H923 | 120.0° | 120.1° |
| C91 | C92 | H922 | H923 | 120.0° | 120.0° |
| H921 | C92 | H922 | H923 | 120.0° | 119.9° |
