3TB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C23 | sing | 1.47Å | 1.46Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | HNA | sing | 1.01Å | 1.00Å | |
| O2P | P | doub | 1.48Å | 1.51Å | |
| O4P | P | sing | 1.61Å | 1.63Å | |
| O1P | P | sing | 1.61Å | 1.51Å | |
| P | O3P | sing | 1.61Å | 1.51Å | |
| C22 | N0 | sing | 1.35Å | 1.35Å | |
| N0 | C20 | sing | 1.47Å | 1.47Å | |
| N0 | HN0 | sing | 0.97Å | 1.00Å | |
| O0 | C22 | doub | 1.21Å | 1.23Å | |
| C20 | C1 | sing | 1.51Å | 1.53Å | |
| C1 | C2 | doub | 1.31Å | 1.36Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C9 | N1 | sing | 1.46Å | 1.48Å | |
| N1 | C7 | sing | 1.35Å | 1.35Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C6 | C2 | sing | 1.52Å | 1.51Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| N2 | C10 | sing | 1.35Å | 1.34Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| N2 | HN2A | sing | 0.97Å | 1.00Å | |
| C7 | O2 | doub | 1.21Å | 1.23Å | |
| C4 | C3 | sing | 1.54Å | 1.53Å | |
| C3 | C7 | sing | 1.51Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| N3 | C13 | sing | 1.46Å | 1.46Å | |
| N3 | C14 | sing | 1.37Å | 1.33Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| O3 | C10 | doub | 1.21Å | 1.22Å | |
| C5 | C4 | sing | 1.55Å | 1.55Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| N4 | C14 | doub | 1.30Å | 1.33Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C6 | C5 | sing | 1.55Å | 1.57Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C14 | N5 | sing | 1.37Å | 1.33Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| N5 | HN5A | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| C9 | C11 | sing | 1.53Å | 1.55Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| O1P | HO1P | sing | 0.97Å | 0.95Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | O4P | sing | 1.43Å | 1.44Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C23 | C22 | sing | 1.51Å | 1.52Å | |
| C23 | C31 | sing | 1.53Å | 1.54Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.51Å | 1.52Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C33 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | C36 | sing | 1.38Å | 1.40Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C37 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| O3P | HO3P | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | N | HN | 109.5° | 111.0° |
| C23 | N | HNA | 109.5° | 111.0° |
| N | C23 | C22 | 108.7° | 109.5° |
| N | C23 | C31 | 109.4° | 109.5° |
| N | C23 | H23 | 112.7° | 109.5° |
| HN | N | HNA | 109.4° | 111.0° |
| O2P | P | O4P | 110.5° | 109.4° |
| O2P | P | O1P | 112.9° | 109.5° |
| O2P | P | O3P | 108.2° | 109.5° |
| O4P | P | O1P | 108.7° | 109.5° |
| O4P | P | O3P | 107.8° | 109.5° |
| P | O4P | C21 | 118.5° | 123.0° |
| O1P | P | O3P | 108.6° | 109.5° |
| P | O1P | HO1P | 109.5° | 114.0° |
| P | O3P | HO3P | 109.5° | 114.0° |
| C22 | N0 | C20 | 130.7° | 120.0° |
| C22 | N0 | HN0 | 114.7° | 120.0° |
| N0 | C22 | O0 | 119.1° | 120.0° |
| N0 | C22 | C23 | 124.9° | 120.0° |
| C20 | N0 | HN0 | 114.6° | 120.0° |
| N0 | C20 | C1 | 113.0° | 109.5° |
| N0 | C20 | C21 | 113.8° | 109.5° |
| N0 | C20 | H20 | 105.1° | 109.5° |
| O0 | C22 | C23 | 116.0° | 120.0° |
| C20 | C1 | C2 | 131.0° | 120.0° |
| C20 | C1 | H1 | 114.5° | 120.0° |
| C1 | C20 | C21 | 113.1° | 109.4° |
| C1 | C20 | H20 | 105.9° | 109.5° |
| C2 | C1 | H1 | 114.5° | 120.0° |
| C1 | C2 | C6 | 126.6° | 126.4° |
| C1 | C2 | C3 | 121.3° | 126.3° |
| C9 | N1 | C7 | 131.0° | 120.0° |
| C9 | N1 | HN1 | 114.5° | 120.0° |
| N1 | C9 | C10 | 111.6° | 109.5° |
| N1 | C9 | C11 | 110.2° | 109.5° |
| N1 | C9 | H9 | 110.7° | 109.5° |
| C7 | N1 | HN1 | 114.5° | 120.0° |
| N1 | C7 | O2 | 124.7° | 120.0° |
| N1 | C7 | C3 | 114.6° | 120.0° |
| C6 | C2 | C3 | 112.0° | 107.3° |
| C2 | C6 | C5 | 103.4° | 104.3° |
| C2 | C6 | H6 | 111.6° | 110.4° |
| C2 | C6 | H6A | 111.5° | 110.4° |
| C2 | C3 | C4 | 104.3° | 106.9° |
| C2 | C3 | C7 | 111.0° | 110.0° |
| C2 | C3 | H3 | 112.1° | 110.0° |
| C10 | N2 | HN2 | 120.0° | 120.0° |
| C10 | N2 | HN2A | 120.0° | 120.0° |
| N2 | C10 | O3 | 122.5° | 120.0° |
| N2 | C10 | C9 | 118.5° | 120.0° |
| HN2 | N2 | HN2A | 120.0° | 120.0° |
| O2 | C7 | C3 | 120.8° | 120.0° |
| C4 | C3 | C7 | 110.3° | 110.0° |
| C4 | C3 | H3 | 112.9° | 110.0° |
| C3 | C4 | C5 | 105.4° | 103.7° |
| C3 | C4 | H4 | 110.8° | 110.5° |
| C3 | C4 | H4A | 110.9° | 110.6° |
| C7 | C3 | H3 | 106.3° | 110.0° |
| C13 | N3 | C14 | 121.9° | 120.0° |
| C13 | N3 | HN3 | 119.0° | 120.0° |
| N3 | C13 | C12 | 103.5° | 109.5° |
| N3 | C13 | H13 | 111.5° | 109.4° |
| N3 | C13 | H13A | 111.5° | 109.4° |
| C14 | N3 | HN3 | 119.0° | 119.9° |
| N3 | C14 | N4 | 119.6° | 120.0° |
| N3 | C14 | N5 | 120.3° | 120.0° |
| O3 | C10 | C9 | 118.9° | 120.0° |
| C5 | C4 | H4 | 110.9° | 110.6° |
| C5 | C4 | H4A | 110.8° | 110.7° |
| C4 | C5 | C6 | 104.9° | 102.2° |
| C4 | C5 | H5 | 111.1° | 110.8° |
| C4 | C5 | H5A | 111.0° | 110.8° |
| H4 | C4 | H4A | 108.1° | 110.5° |
| C14 | N4 | HN4 | 112.0° | 120.0° |
| N4 | C14 | N5 | 120.1° | 120.0° |
| C6 | C5 | H5 | 111.0° | 111.0° |
| C6 | C5 | H5A | 111.0° | 110.9° |
| C5 | C6 | H6 | 111.5° | 110.6° |
| C5 | C6 | H6A | 111.6° | 110.4° |
| H5 | C5 | H5A | 107.8° | 110.8° |
| C14 | N5 | HN5 | 120.0° | 120.0° |
| C14 | N5 | HN5A | 120.0° | 120.0° |
| HN5 | N5 | HN5A | 120.0° | 119.9° |
| H6 | C6 | H6A | 107.3° | 110.5° |
| C10 | C9 | C11 | 117.2° | 109.5° |
| C10 | C9 | H9 | 102.4° | 109.4° |
| C11 | C9 | H9 | 104.1° | 109.5° |
| C9 | C11 | C12 | 116.7° | 109.5° |
| C9 | C11 | H11 | 107.2° | 109.5° |
| C9 | C11 | H11A | 107.2° | 109.5° |
| C12 | C11 | H11 | 107.1° | 109.5° |
| C12 | C11 | H11A | 107.1° | 109.4° |
| C11 | C12 | C13 | 112.6° | 109.4° |
| C11 | C12 | H12 | 108.4° | 109.5° |
| C11 | C12 | H12A | 108.4° | 109.5° |
| H11 | C11 | H11A | 111.7° | 109.5° |
| C13 | C12 | H12 | 108.4° | 109.5° |
| C13 | C12 | H12A | 108.4° | 109.5° |
| C12 | C13 | H13 | 111.5° | 109.5° |
| C12 | C13 | H13A | 111.5° | 109.5° |
| H12 | C12 | H12A | 110.5° | 109.5° |
| H13 | C13 | H13A | 107.4° | 109.5° |
| C21 | C20 | H20 | 104.9° | 109.6° |
| C20 | C21 | O4P | 111.5° | 109.5° |
| C20 | C21 | H21 | 108.8° | 109.5° |
| C20 | C21 | H21A | 108.8° | 109.4° |
| O4P | C21 | H21 | 108.8° | 109.5° |
| O4P | C21 | H21A | 108.8° | 109.5° |
| H21 | C21 | H21A | 110.2° | 109.4° |
| C22 | C23 | C31 | 116.2° | 109.5° |
| C22 | C23 | H23 | 105.3° | 109.5° |
| C31 | C23 | H23 | 104.6° | 109.4° |
| C23 | C31 | C32 | 111.7° | 109.5° |
| C23 | C31 | H31 | 108.7° | 109.4° |
| C23 | C31 | H31A | 108.7° | 109.5° |
| C32 | C31 | H31 | 108.7° | 109.5° |
| C32 | C31 | H31A | 108.7° | 109.5° |
| C31 | C32 | C33 | 120.3° | 120.0° |
| C31 | C32 | C37 | 120.0° | 120.0° |
| H31 | C31 | H31A | 110.2° | 109.5° |
| C33 | C32 | C37 | 119.8° | 120.0° |
| C32 | C33 | C34 | 120.3° | 120.0° |
| C32 | C33 | H33 | 119.9° | 120.0° |
| C32 | C37 | C36 | 120.0° | 120.0° |
| C32 | C37 | H37 | 120.0° | 120.0° |
| C34 | C33 | H33 | 119.9° | 120.0° |
| C33 | C34 | C35 | 119.7° | 120.0° |
| C33 | C34 | H34 | 120.1° | 120.1° |
| C35 | C34 | H34 | 120.2° | 119.9° |
| C34 | C35 | C36 | 120.1° | 120.0° |
| C34 | C35 | H35 | 119.9° | 120.0° |
| C36 | C35 | H35 | 119.9° | 120.0° |
| C35 | C36 | C37 | 120.1° | 120.0° |
| C35 | C36 | H36 | 119.9° | 120.0° |
| C37 | C36 | H36 | 119.9° | 120.0° |
| C36 | C37 | H37 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | N | HN | HNA | 120.0° | 124.0° |
| N | C23 | C22 | N0 | 117.5° | 160.0° |
| N | C23 | C22 | O0 | 61.3° | 20.0° |
| N | C23 | C22 | C31 | 123.8° | 120.0° |
| N | C23 | C22 | H23 | 121.0° | 120.0° |
| N | C23 | C31 | H23 | 120.9° | 120.0° |
| N | C23 | C31 | C32 | 104.9° | 65.0° |
| N | C23 | C31 | H31 | 15.1° | 55.0° |
| N | C23 | C31 | H31A | 135.1° | 175.0° |
| HN | N | C23 | C22 | 180.0° | 60.0° |
| HN | N | C23 | C31 | 52.2° | 60.0° |
| HN | N | C23 | H23 | 63.7° | 180.0° |
| HNA | N | C23 | C22 | 60.0° | 176.0° |
| HNA | N | C23 | C31 | 172.1° | 63.9° |
| HNA | N | C23 | H23 | 56.3° | 56.0° |
| O2P | P | O4P | O1P | 124.4° | 120.0° |
| O2P | P | O4P | O3P | 118.1° | 120.0° |
| O2P | P | O1P | O3P | 120.0° | 120.0° |
| O2P | P | O1P | HO1P | 0.0° | 180.0° |
| O2P | P | O4P | C21 | 61.4° | 55.0° |
| O2P | P | O3P | HO3P | 0.0° | 60.1° |
| O4P | P | O1P | O3P | 117.0° | 120.0° |
| O4P | P | O1P | HO1P | 122.9° | 60.1° |
| P | O4P | C21 | C20 | 83.5° | 180.0° |
| P | O4P | C21 | H21 | 36.5° | 60.0° |
| P | O4P | C21 | H21A | 156.5° | 60.0° |
| O4P | P | O3P | HO3P | 119.5° | 180.0° |
| O1P | P | O4P | C21 | 63.0° | 65.0° |
| O1P | P | O3P | HO3P | 122.8° | 60.0° |
| O3P | P | O1P | HO1P | 120.0° | 60.0° |
| O3P | P | O4P | C21 | 179.5° | 174.9° |
| C22 | N0 | C20 | HN0 | 180.0° | 180.0° |
| N0 | C22 | O0 | C23 | 178.9° | 180.0° |
| C22 | N0 | C20 | C1 | 124.9° | 155.0° |
| C22 | N0 | C20 | C21 | 104.2° | 85.0° |
| C22 | N0 | C20 | H20 | 9.9° | 35.1° |
| N0 | C22 | C23 | C31 | 6.3° | 80.0° |
| N0 | C22 | C23 | H23 | 121.5° | 40.0° |
| C20 | N0 | C22 | O0 | 179.0° | 0.0° |
| N0 | C20 | C1 | C21 | 131.2° | 120.0° |
| N0 | C20 | C1 | H20 | 114.5° | 120.0° |
| N0 | C20 | C1 | C2 | 23.2° | 120.0° |
| N0 | C20 | C1 | H1 | 156.8° | 60.0° |
| N0 | C20 | C21 | H20 | 114.3° | 120.0° |
| N0 | C20 | C21 | O4P | 173.8° | 65.0° |
| N0 | C20 | C21 | H21 | 66.3° | 175.0° |
| N0 | C20 | C21 | H21A | 53.8° | 55.1° |
| C20 | N0 | C22 | C23 | 2.2° | 180.0° |
| HN0 | N0 | C22 | O0 | 1.0° | 180.0° |
| HN0 | N0 | C20 | C1 | 55.1° | 25.0° |
| HN0 | N0 | C20 | C21 | 75.8° | 95.0° |
| HN0 | N0 | C20 | H20 | 170.1° | 144.9° |
| HN0 | N0 | C22 | C23 | 177.8° | 0.0° |
| O0 | C22 | C23 | C31 | 174.9° | 100.0° |
| O0 | C22 | C23 | H23 | 59.7° | 140.1° |
| C20 | C1 | C2 | H1 | 180.0° | 180.0° |
| C20 | C1 | C2 | C6 | 2.2° | 0.3° |
| C20 | C1 | C2 | C3 | 177.1° | 180.0° |
| C1 | C20 | C21 | H20 | 115.0° | 120.0° |
| C1 | C20 | C21 | O4P | 43.0° | 55.0° |
| C1 | C20 | C21 | H21 | 163.0° | 65.1° |
| C1 | C20 | C21 | H21A | 77.0° | 175.0° |
| C1 | C2 | C6 | C3 | 179.3° | 179.7° |
| C1 | C2 | C3 | C4 | 167.7° | 179.7° |
| C1 | C2 | C3 | C7 | 73.5° | 60.3° |
| C1 | C2 | C3 | H3 | 45.3° | 61.0° |
| C1 | C2 | C6 | C5 | 172.4° | 156.1° |
| C1 | C2 | C6 | H6 | 67.6° | 85.0° |
| C1 | C2 | C6 | H6A | 52.4° | 37.5° |
| C2 | C1 | C20 | C21 | 108.0° | 120.1° |
| C2 | C1 | C20 | H20 | 137.7° | 0.0° |
| H1 | C1 | C2 | C6 | 177.8° | 179.6° |
| H1 | C1 | C2 | C3 | 2.9° | 0.1° |
| H1 | C1 | C20 | C21 | 72.0° | 60.0° |
| H1 | C1 | C20 | H20 | 42.3° | 180.0° |
| C9 | N1 | C7 | HN1 | 180.0° | 180.0° |
| N1 | C9 | C10 | N2 | 171.2° | 180.0° |
| C9 | N1 | C7 | O2 | 0.1° | 0.1° |
| C9 | N1 | C7 | C3 | 179.9° | 180.0° |
| N1 | C9 | C10 | O3 | 5.9° | 0.0° |
| N1 | C9 | C10 | C11 | 128.4° | 120.0° |
| N1 | C9 | C10 | H9 | 118.5° | 120.0° |
| N1 | C9 | C11 | H9 | 118.7° | 120.0° |
| N1 | C9 | C11 | C12 | 131.0° | 65.0° |
| N1 | C9 | C11 | H11 | 109.0° | 55.0° |
| N1 | C9 | C11 | H11A | 11.0° | 175.0° |
| N1 | C7 | C3 | C2 | 34.6° | 180.0° |
| N1 | C7 | O2 | C3 | 180.0° | 180.0° |
| N1 | C7 | C3 | C4 | 149.6° | 62.6° |
| N1 | C7 | C3 | H3 | 87.7° | 58.7° |
| C7 | N1 | C9 | C10 | 71.2° | 85.0° |
| C7 | N1 | C9 | C11 | 60.8° | 155.0° |
| C7 | N1 | C9 | H9 | 175.4° | 34.9° |
| HN1 | N1 | C7 | O2 | 179.9° | 180.0° |
| HN1 | N1 | C7 | C3 | 0.1° | 0.0° |
| HN1 | N1 | C9 | C10 | 108.8° | 95.0° |
| HN1 | N1 | C9 | C11 | 119.2° | 25.0° |
| HN1 | N1 | C9 | H9 | 4.6° | 145.0° |
| C6 | C2 | C3 | C4 | 12.9° | 0.6° |
| C6 | C2 | C3 | C7 | 105.9° | 120.0° |
| C6 | C2 | C3 | H3 | 135.3° | 118.7° |
| C2 | C6 | C5 | C4 | 23.8° | 38.0° |
| C2 | C6 | C5 | H6 | 120.0° | 118.8° |
| C2 | C6 | C5 | H6A | 120.0° | 118.6° |
| C2 | C6 | C5 | H5 | 96.2° | 80.3° |
| C2 | C6 | C5 | H5A | 143.8° | 156.1° |
| C2 | C6 | H6 | H6A | 122.5° | 122.5° |
| C2 | C3 | C7 | O2 | 145.5° | 0.0° |
| C2 | C3 | C4 | C7 | 119.3° | 119.4° |
| C2 | C3 | C4 | H3 | 122.0° | 119.4° |
| C2 | C3 | C7 | H3 | 122.2° | 121.3° |
| C2 | C3 | C4 | C5 | 27.7° | 23.1° |
| C2 | C3 | C4 | H4 | 147.7° | 141.7° |
| C2 | C3 | C4 | H4A | 92.3° | 95.6° |
| C3 | C2 | C6 | C5 | 7.0° | 24.2° |
| C3 | C2 | C6 | H6 | 113.0° | 94.7° |
| C3 | C2 | C6 | H6A | 127.0° | 142.7° |
| C10 | N2 | HN2 | HN2A | 180.0° | 180.0° |
| N2 | C10 | O3 | C9 | 177.0° | 180.0° |
| N2 | C10 | C9 | C11 | 60.4° | 60.0° |
| N2 | C10 | C9 | H9 | 52.7° | 60.0° |
| HN2 | N2 | C10 | O3 | 0.0° | 0.0° |
| HN2 | N2 | C10 | C9 | 177.0° | 179.9° |
| HN2A | N2 | C10 | O3 | 180.0° | 180.0° |
| HN2A | N2 | C10 | C9 | 3.0° | 0.0° |
| O2 | C7 | C3 | C4 | 30.4° | 117.4° |
| O2 | C7 | C3 | H3 | 92.3° | 121.3° |
| C4 | C3 | C7 | H3 | 122.7° | 121.3° |
| C3 | C4 | C5 | H4 | 120.0° | 118.5° |
| C3 | C4 | C5 | H4A | 120.0° | 118.6° |
| C3 | C4 | H4 | H4A | 121.7° | 122.7° |
| C3 | C4 | C5 | C6 | 32.5° | 37.3° |
| C3 | C4 | C5 | H5 | 87.5° | 81.1° |
| C3 | C4 | C5 | H5A | 152.5° | 155.5° |
| C7 | C3 | C4 | C5 | 91.6° | 96.2° |
| C7 | C3 | C4 | H4 | 28.4° | 22.3° |
| C7 | C3 | C4 | H4A | 148.4° | 145.1° |
| H3 | C3 | C4 | C5 | 149.6° | 142.5° |
| H3 | C3 | C4 | H4 | 90.4° | 98.9° |
| H3 | C3 | C4 | H4A | 29.7° | 23.8° |
| C13 | N3 | C14 | HN3 | 180.0° | 179.9° |
| C13 | N3 | C14 | N4 | 179.1° | 179.9° |
| C13 | N3 | C14 | N5 | 0.9° | 0.0° |
| N3 | C13 | C12 | C11 | 178.8° | 180.0° |
| N3 | C13 | C12 | H13 | 120.0° | 120.0° |
| N3 | C13 | C12 | H13A | 120.0° | 119.9° |
| N3 | C13 | C12 | H12 | 61.2° | 60.0° |
| N3 | C13 | C12 | H12A | 58.8° | 60.0° |
| N3 | C13 | H13 | H13A | 122.4° | 119.9° |
| N3 | C14 | N4 | N5 | 179.9° | 180.0° |
| N3 | C14 | N4 | HN4 | 179.9° | 180.0° |
| N3 | C14 | N5 | HN5 | 180.0° | 0.0° |
| N3 | C14 | N5 | HN5A | 0.1° | 180.0° |
| C14 | N3 | C13 | C12 | 119.4° | 180.0° |
| C14 | N3 | C13 | H13 | 0.6° | 60.0° |
| C14 | N3 | C13 | H13A | 120.6° | 60.0° |
| HN3 | N3 | C14 | N4 | 0.9° | 0.0° |
| HN3 | N3 | C14 | N5 | 179.1° | 180.0° |
| HN3 | N3 | C13 | C12 | 60.6° | 0.1° |
| HN3 | N3 | C13 | H13 | 179.4° | 119.9° |
| HN3 | N3 | C13 | H13A | 59.4° | 120.1° |
| O3 | C10 | C9 | C11 | 122.5° | 120.0° |
| O3 | C10 | C9 | H9 | 124.3° | 120.0° |
| C5 | C4 | H4 | H4A | 121.6° | 123.0° |
| C4 | C5 | C6 | H5 | 120.0° | 118.2° |
| C4 | C5 | C6 | H5A | 120.0° | 118.1° |
| C4 | C5 | H5 | H5A | 121.9° | 123.4° |
| C4 | C5 | C6 | H6 | 96.2° | 80.8° |
| C4 | C5 | C6 | H6A | 143.8° | 156.6° |
| H4 | C4 | C5 | C6 | 152.4° | 155.8° |
| H4 | C4 | C5 | H5 | 32.4° | 37.4° |
| H4 | C4 | C5 | H5A | 87.6° | 85.9° |
| H4A | C4 | C5 | C6 | 87.6° | 81.3° |
| H4A | C4 | C5 | H5 | 152.4° | 160.3° |
| H4A | C4 | C5 | H5A | 32.4° | 36.9° |
| N4 | C14 | N5 | HN5 | 0.0° | 179.9° |
| N4 | C14 | N5 | HN5A | 180.0° | 0.0° |
| HN4 | N4 | C14 | N5 | 0.0° | 0.1° |
| C6 | C5 | H5 | H5A | 121.9° | 123.7° |
| C5 | C6 | H6 | H6A | 122.5° | 122.6° |
| H5 | C5 | C6 | H6 | 143.8° | 161.0° |
| H5 | C5 | C6 | H6A | 23.8° | 38.3° |
| H5A | C5 | C6 | H6 | 23.8° | 37.3° |
| H5A | C5 | C6 | H6A | 96.2° | 85.3° |
| C14 | N5 | HN5 | HN5A | 180.0° | 180.0° |
| C10 | C9 | C11 | H9 | 112.2° | 120.0° |
| C10 | C9 | C11 | C12 | 2.0° | 175.0° |
| C10 | C9 | C11 | H11 | 122.0° | 65.0° |
| C10 | C9 | C11 | H11A | 118.0° | 55.0° |
| C9 | C11 | C12 | H11 | 120.0° | 120.0° |
| C9 | C11 | C12 | H11A | 120.0° | 120.0° |
| C9 | C11 | H11 | H11A | 117.1° | 120.0° |
| C9 | C11 | C12 | C13 | 155.6° | 180.0° |
| C9 | C11 | C12 | H12 | 84.4° | 60.0° |
| C9 | C11 | C12 | H12A | 35.6° | 60.1° |
| H9 | C9 | C11 | C12 | 110.3° | 55.0° |
| H9 | C9 | C11 | H11 | 9.7° | 175.0° |
| H9 | C9 | C11 | H11A | 129.7° | 65.0° |
| C12 | C11 | H11 | H11A | 117.0° | 120.0° |
| C11 | C12 | C13 | H12 | 120.0° | 120.0° |
| C11 | C12 | C13 | H12A | 120.0° | 120.0° |
| C11 | C12 | H12 | H12A | 118.7° | 120.0° |
| C11 | C12 | C13 | H13 | 61.2° | 60.1° |
| C11 | C12 | C13 | H13A | 58.8° | 60.0° |
| H11 | C11 | C12 | C13 | 35.6° | 60.0° |
| H11 | C11 | C12 | H12 | 155.5° | 180.0° |
| H11 | C11 | C12 | H12A | 84.4° | 60.0° |
| H11A | C11 | C12 | C13 | 84.4° | 60.0° |
| H11A | C11 | C12 | H12 | 35.6° | 60.0° |
| H11A | C11 | C12 | H12A | 155.6° | 179.9° |
| C13 | C12 | H12 | H12A | 118.7° | 120.0° |
| C12 | C13 | H13 | H13A | 122.5° | 120.1° |
| H12 | C12 | C13 | H13 | 58.8° | 60.0° |
| H12 | C12 | C13 | H13A | 178.8° | 180.0° |
| H12A | C12 | C13 | H13 | 178.8° | 180.0° |
| H12A | C12 | C13 | H13A | 61.2° | 59.9° |
| C20 | C21 | O4P | H21 | 120.0° | 120.0° |
| C20 | C21 | O4P | H21A | 120.0° | 120.0° |
| C20 | C21 | H21 | H21A | 119.2° | 119.9° |
| H20 | C20 | C21 | O4P | 72.0° | 175.0° |
| H20 | C20 | C21 | H21 | 48.0° | 54.9° |
| H20 | C20 | C21 | H21A | 168.0° | 65.0° |
| O4P | C21 | H21 | H21A | 119.2° | 120.0° |
| C22 | C23 | C31 | H23 | 115.6° | 120.0° |
| C22 | C23 | C31 | C32 | 131.6° | 175.0° |
| C22 | C23 | C31 | H31 | 108.4° | 65.0° |
| C22 | C23 | C31 | H31A | 11.6° | 54.9° |
| C23 | C31 | C32 | H31 | 120.0° | 120.0° |
| C23 | C31 | C32 | H31A | 120.0° | 120.0° |
| C23 | C31 | H31 | H31A | 119.1° | 119.9° |
| C23 | C31 | C32 | C33 | 87.2° | 89.7° |
| C23 | C31 | C32 | C37 | 92.9° | 90.0° |
| H23 | C23 | C31 | C32 | 16.1° | 55.0° |
| H23 | C23 | C31 | H31 | 136.1° | 175.0° |
| H23 | C23 | C31 | H31A | 103.9° | 65.0° |
| C32 | C31 | H31 | H31A | 119.1° | 120.0° |
| C31 | C32 | C33 | C37 | 179.9° | 179.8° |
| C31 | C32 | C33 | C34 | 179.9° | 180.0° |
| C31 | C32 | C33 | H33 | 0.1° | 0.0° |
| C31 | C32 | C37 | C36 | 180.0° | 179.8° |
| C31 | C32 | C37 | H37 | 0.0° | 0.1° |
| H31 | C31 | C32 | C33 | 32.8° | 150.3° |
| H31 | C31 | C32 | C37 | 147.1° | 30.0° |
| H31A | C31 | C32 | C33 | 152.8° | 30.3° |
| H31A | C31 | C32 | C37 | 27.1° | 150.0° |
| C32 | C33 | C34 | H33 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 0.1° | 0.0° |
| C32 | C33 | C34 | H34 | 179.9° | 179.9° |
| C33 | C32 | C37 | C36 | 0.2° | 0.5° |
| C33 | C32 | C37 | H37 | 179.8° | 179.7° |
| C37 | C32 | C33 | C34 | 0.0° | 0.3° |
| C37 | C32 | C33 | H33 | 180.0° | 179.8° |
| C32 | C37 | C36 | C35 | 0.2° | 0.4° |
| C32 | C37 | C36 | H37 | 180.0° | 179.8° |
| C32 | C37 | C36 | H36 | 179.8° | 179.8° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.0° | 0.0° |
| C33 | C34 | C35 | H35 | 179.9° | 180.0° |
| H33 | C33 | C34 | C35 | 179.9° | 180.0° |
| H33 | C33 | C34 | H34 | 0.1° | 0.0° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.1° | 0.2° |
| C34 | C35 | C36 | H36 | 179.9° | 180.0° |
| H34 | C34 | C35 | C36 | 180.0° | 180.0° |
| H34 | C34 | C35 | H35 | 0.1° | 0.0° |
| C35 | C36 | C37 | H36 | 180.0° | 179.8° |
| C35 | C36 | C37 | H37 | 179.8° | 179.7° |
| H35 | C35 | C36 | C37 | 179.9° | 179.8° |
| H35 | C35 | C36 | H36 | 0.1° | 0.0° |
| H36 | C36 | C37 | H37 | 0.2° | 0.1° |
