GBO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P1 | O2 | sing | 1.61Å | 1.61Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O1 | P1 | doub | 1.48Å | 1.48Å | |
| O3 | P1 | sing | 1.61Å | 1.59Å | |
| P1 | O8 | sing | 1.61Å | 1.59Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| P2 | O3 | sing | 1.61Å | 1.62Å | |
| O9 | P2 | doub | 1.48Å | 1.50Å | |
| O5 | P2 | sing | 1.61Å | 1.58Å | |
| P2 | O4 | sing | 1.61Å | 1.46Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C1 | O5 | sing | 1.43Å | 1.40Å | |
| C1 | C2 | sing | 1.51Å | 1.39Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C3 | C2 | doub | 1.31Å | 1.37Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | C3 | sing | 1.51Å | 1.55Å | |
| C3 | C5 | sing | 1.51Å | 1.52Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C7 | C6 | sing | 1.51Å | 1.39Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | C8 | doub | 1.31Å | 1.38Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | C8 | sing | 1.51Å | 1.54Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| N1 | C10 | sing | 1.46Å | 1.45Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | N1 | sing | 1.35Å | 1.32Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C12 | C11 | sing | 1.51Å | 1.56Å | |
| O6 | C11 | doub | 1.21Å | 1.23Å | |
| C12 | C13 | sing | 1.53Å | 1.57Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C16 | C15 | sing | 1.53Å | 1.56Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| S1 | C16 | sing | 1.84Å | 1.86Å | |
| C19 | C16 | sing | 1.54Å | 1.57Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | S1 | sing | 1.84Å | 1.83Å | |
| C18 | C17 | sing | 1.54Å | 1.56Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| N3 | C18 | sing | 1.47Å | 1.47Å | |
| C18 | C19 | sing | 1.54Å | 1.57Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| N2 | C19 | sing | 1.47Å | 1.49Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | N2 | sing | 1.34Å | 1.33Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| O7 | C20 | doub | 1.22Å | 1.23Å | |
| C20 | N3 | sing | 1.34Å | 1.34Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P1 | O2 | HO2 | 109.5° | 114.0° |
| O2 | P1 | O1 | 112.9° | 109.4° |
| O2 | P1 | O3 | 105.7° | 109.5° |
| O2 | P1 | O8 | 100.7° | 109.5° |
| O1 | P1 | O3 | 113.1° | 109.5° |
| O1 | P1 | O8 | 117.5° | 109.5° |
| O3 | P1 | O8 | 105.6° | 109.5° |
| P1 | O3 | P2 | 125.9° | 134.0° |
| P1 | O8 | HO8 | 109.5° | 114.0° |
| O3 | P2 | O9 | 116.1° | 109.5° |
| O3 | P2 | O5 | 94.1° | 109.4° |
| O3 | P2 | O4 | 103.0° | 109.5° |
| O9 | P2 | O5 | 113.4° | 109.4° |
| O9 | P2 | O4 | 118.9° | 109.5° |
| O5 | P2 | O4 | 108.3° | 109.5° |
| P2 | O5 | C1 | 127.0° | 123.0° |
| P2 | O4 | HO4 | 109.5° | 114.0° |
| O5 | C1 | C2 | 108.1° | 109.5° |
| O5 | C1 | H1 | 109.9° | 109.4° |
| O5 | C1 | H1A | 110.2° | 109.4° |
| C2 | C1 | H1 | 109.9° | 109.5° |
| C2 | C1 | H1A | 110.2° | 109.5° |
| C1 | C2 | C3 | 121.0° | 120.0° |
| C1 | C2 | H2 | 119.5° | 120.0° |
| H1 | C1 | H1A | 108.4° | 109.5° |
| C3 | C2 | H2 | 119.5° | 120.0° |
| C2 | C3 | C4 | 118.7° | 120.0° |
| C2 | C3 | C5 | 123.8° | 120.0° |
| C4 | C3 | C5 | 117.5° | 120.0° |
| C3 | C4 | H4 | 109.5° | 109.5° |
| C3 | C4 | H4A | 109.5° | 109.5° |
| C3 | C4 | H4B | 109.5° | 109.5° |
| C3 | C5 | C6 | 116.1° | 109.5° |
| C3 | C5 | H5 | 107.3° | 109.5° |
| C3 | C5 | H5A | 105.8° | 109.4° |
| H4 | C4 | H4A | 109.4° | 109.5° |
| H4 | C4 | H4B | 109.5° | 109.4° |
| H4A | C4 | H4B | 109.5° | 109.4° |
| C6 | C5 | H5 | 107.3° | 109.5° |
| C6 | C5 | H5A | 105.8° | 109.5° |
| C5 | C6 | C7 | 108.0° | 109.5° |
| C5 | C6 | H6 | 110.0° | 109.5° |
| C5 | C6 | H6A | 110.3° | 109.5° |
| H5 | C5 | H5A | 114.8° | 109.5° |
| C7 | C6 | H6 | 110.0° | 109.5° |
| C7 | C6 | H6A | 110.3° | 109.5° |
| C6 | C7 | C8 | 127.6° | 120.0° |
| C6 | C7 | H7 | 116.2° | 120.0° |
| H6 | C6 | H6A | 108.3° | 109.4° |
| C8 | C7 | H7 | 116.2° | 120.0° |
| C7 | C8 | C10 | 121.5° | 120.0° |
| C7 | C8 | C9 | 118.0° | 120.0° |
| C10 | C8 | C9 | 120.4° | 120.0° |
| C8 | C10 | N1 | 100.0° | 109.5° |
| C8 | C10 | H10 | 112.7° | 109.4° |
| C8 | C10 | H10A | 114.7° | 109.5° |
| C8 | C9 | H9 | 109.5° | 109.5° |
| C8 | C9 | H9A | 109.5° | 109.5° |
| C8 | C9 | H9B | 109.5° | 109.5° |
| H9 | C9 | H9A | 109.4° | 109.5° |
| H9 | C9 | H9B | 109.5° | 109.5° |
| H9A | C9 | H9B | 109.5° | 109.5° |
| N1 | C10 | H10 | 112.8° | 109.5° |
| N1 | C10 | H10A | 114.7° | 109.5° |
| C10 | N1 | C11 | 130.5° | 120.0° |
| C10 | N1 | HN1 | 114.7° | 120.0° |
| H10 | C10 | H10A | 102.5° | 109.5° |
| C11 | N1 | HN1 | 114.7° | 120.0° |
| N1 | C11 | C12 | 112.6° | 120.0° |
| N1 | C11 | O6 | 127.1° | 120.0° |
| C12 | C11 | O6 | 120.3° | 120.0° |
| C11 | C12 | C13 | 117.0° | 109.5° |
| C11 | C12 | H12 | 107.0° | 109.5° |
| C11 | C12 | H12A | 105.3° | 109.5° |
| C13 | C12 | H12 | 107.1° | 109.5° |
| C13 | C12 | H12A | 105.3° | 109.5° |
| C12 | C13 | C14 | 110.0° | 109.4° |
| C12 | C13 | H13 | 109.3° | 109.5° |
| C12 | C13 | H13A | 109.2° | 109.5° |
| H12 | C12 | H12A | 115.5° | 109.5° |
| C14 | C13 | H13 | 109.3° | 109.4° |
| C14 | C13 | H13A | 109.2° | 109.5° |
| C13 | C14 | C15 | 112.5° | 109.5° |
| C13 | C14 | H14 | 108.5° | 109.5° |
| C13 | C14 | H14A | 107.8° | 109.5° |
| H13 | C13 | H13A | 109.9° | 109.6° |
| C15 | C14 | H14 | 108.5° | 109.4° |
| C15 | C14 | H14A | 107.8° | 109.5° |
| C14 | C15 | C16 | 110.1° | 109.5° |
| C14 | C15 | H15 | 109.3° | 109.5° |
| C14 | C15 | H15A | 109.2° | 109.5° |
| H14 | C14 | H14A | 111.9° | 109.5° |
| C16 | C15 | H15 | 109.3° | 109.5° |
| C16 | C15 | H15A | 109.1° | 109.5° |
| C15 | C16 | S1 | 117.0° | 110.8° |
| C15 | C16 | C19 | 113.4° | 110.8° |
| C15 | C16 | H16 | 99.1° | 110.7° |
| H15 | C15 | H15A | 109.9° | 109.4° |
| S1 | C16 | C19 | 102.0° | 102.8° |
| S1 | C16 | H16 | 111.1° | 110.8° |
| C16 | S1 | C17 | 92.7° | 94.8° |
| C19 | C16 | H16 | 114.9° | 110.7° |
| C16 | C19 | C18 | 109.5° | 112.2° |
| C16 | C19 | N2 | 109.9° | 109.0° |
| C16 | C19 | H19 | 107.4° | 110.6° |
| S1 | C17 | C18 | 103.4° | 102.7° |
| S1 | C17 | H17 | 111.6° | 110.8° |
| S1 | C17 | H17A | 112.8° | 110.8° |
| C18 | C17 | H17 | 111.5° | 110.7° |
| C18 | C17 | H17A | 112.8° | 110.9° |
| C17 | C18 | N3 | 105.7° | 109.2° |
| C17 | C18 | C19 | 111.5° | 112.4° |
| C17 | C18 | H18 | 108.3° | 110.3° |
| H17 | C17 | H17A | 104.9° | 110.6° |
| N3 | C18 | C19 | 101.5° | 104.1° |
| N3 | C18 | H18 | 117.4° | 110.5° |
| C18 | N3 | C20 | 112.7° | 108.9° |
| C18 | N3 | HN3 | 123.7° | 125.7° |
| C19 | C18 | H18 | 112.2° | 110.1° |
| C18 | C19 | N2 | 103.4° | 104.0° |
| C18 | C19 | H19 | 113.5° | 110.3° |
| N2 | C19 | H19 | 113.1° | 110.5° |
| C19 | N2 | C20 | 110.5° | 109.0° |
| C19 | N2 | HN2 | 124.8° | 125.5° |
| C20 | N2 | HN2 | 124.8° | 125.5° |
| N2 | C20 | O7 | 123.9° | 123.0° |
| N2 | C20 | N3 | 112.0° | 114.0° |
| O7 | C20 | N3 | 124.1° | 123.0° |
| C20 | N3 | HN3 | 123.7° | 125.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | P1 | O1 | O3 | 120.0° | 120.0° |
| O2 | P1 | O1 | O8 | 116.5° | 120.0° |
| O2 | P1 | O3 | O8 | 106.2° | 120.0° |
| O2 | P1 | O8 | HO8 | 21.1° | 60.0° |
| O2 | P1 | O3 | P2 | 148.8° | 75.0° |
| HO2 | O2 | P1 | O1 | 6.3° | 180.0° |
| HO2 | O2 | P1 | O3 | 117.7° | 60.0° |
| HO2 | O2 | P1 | O8 | 132.5° | 60.0° |
| O1 | P1 | O3 | O8 | 129.8° | 120.0° |
| O1 | P1 | O8 | HO8 | 144.1° | 59.9° |
| O1 | P1 | O3 | P2 | 24.8° | 45.0° |
| O3 | P1 | O8 | HO8 | 88.7° | 179.9° |
| P1 | O3 | P2 | O9 | 51.4° | 45.0° |
| P1 | O3 | P2 | O5 | 67.2° | 165.0° |
| P1 | O3 | P2 | O4 | 177.0° | 75.1° |
| O8 | P1 | O3 | P2 | 105.0° | 165.0° |
| O3 | P2 | O9 | O5 | 107.4° | 120.0° |
| O3 | P2 | O9 | O4 | 123.7° | 120.0° |
| O3 | P2 | O5 | O4 | 105.1° | 120.0° |
| O3 | P2 | O4 | HO4 | 172.4° | 60.0° |
| O3 | P2 | O5 | C1 | 159.5° | 175.0° |
| O9 | P2 | O5 | O4 | 134.2° | 120.0° |
| O9 | P2 | O4 | HO4 | 57.6° | 179.9° |
| O9 | P2 | O5 | C1 | 38.7° | 55.0° |
| O5 | P2 | O4 | HO4 | 73.6° | 59.9° |
| P2 | O5 | C1 | C2 | 176.2° | 180.0° |
| P2 | O5 | C1 | H1 | 63.7° | 59.9° |
| P2 | O5 | C1 | H1A | 55.7° | 60.0° |
| O4 | P2 | O5 | C1 | 95.4° | 65.0° |
| O5 | C1 | C2 | H1 | 120.0° | 120.0° |
| O5 | C1 | C2 | H1A | 120.6° | 120.0° |
| O5 | C1 | H1 | H1A | 120.5° | 119.9° |
| O5 | C1 | C2 | C3 | 171.4° | 135.1° |
| O5 | C1 | C2 | H2 | 8.7° | 44.9° |
| C2 | C1 | H1 | H1A | 120.5° | 120.1° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.8° | 5.6° |
| C1 | C2 | C3 | C5 | 179.8° | 174.4° |
| H1 | C1 | C2 | C3 | 51.4° | 104.9° |
| H1 | C1 | C2 | H2 | 128.7° | 75.0° |
| H1A | C1 | C2 | C3 | 68.1° | 15.1° |
| H1A | C1 | C2 | H2 | 111.9° | 164.9° |
| C2 | C3 | C4 | C5 | 179.4° | 180.0° |
| C2 | C3 | C4 | H4 | 20.4° | 84.8° |
| C2 | C3 | C4 | H4A | 99.6° | 155.1° |
| C2 | C3 | C4 | H4B | 140.4° | 35.2° |
| C2 | C3 | C5 | C6 | 33.6° | 95.0° |
| C2 | C3 | C5 | H5 | 153.6° | 145.0° |
| C2 | C3 | C5 | H5A | 83.4° | 25.0° |
| H2 | C2 | C3 | C4 | 179.2° | 174.4° |
| H2 | C2 | C3 | C5 | 0.2° | 5.6° |
| C3 | C4 | H4 | H4A | 120.0° | 120.0° |
| C3 | C4 | H4 | H4B | 120.0° | 120.0° |
| C3 | C4 | H4A | H4B | 120.0° | 120.0° |
| C4 | C3 | C5 | C6 | 147.0° | 85.0° |
| C4 | C3 | C5 | H5 | 27.0° | 35.0° |
| C4 | C3 | C5 | H5A | 96.0° | 155.0° |
| C5 | C3 | C4 | H4 | 160.2° | 95.2° |
| C5 | C3 | C4 | H4A | 79.9° | 24.8° |
| C5 | C3 | C4 | H4B | 40.2° | 144.8° |
| C3 | C5 | C6 | H5 | 120.0° | 120.0° |
| C3 | C5 | C6 | H5A | 117.0° | 120.0° |
| C3 | C5 | H5 | H5A | 117.3° | 119.9° |
| C3 | C5 | C6 | C7 | 159.4° | 180.0° |
| C3 | C5 | C6 | H6 | 80.7° | 60.0° |
| C3 | C5 | C6 | H6A | 38.8° | 60.0° |
| H4 | C4 | H4A | H4B | 120.0° | 120.0° |
| C6 | C5 | H5 | H5A | 117.3° | 120.0° |
| C5 | C6 | C7 | H6 | 120.0° | 120.0° |
| C5 | C6 | C7 | H6A | 120.6° | 120.0° |
| C5 | C6 | H6 | H6A | 120.6° | 120.0° |
| C5 | C6 | C7 | C8 | 175.5° | 120.8° |
| C5 | C6 | C7 | H7 | 4.5° | 59.2° |
| H5 | C5 | C6 | C7 | 39.4° | 60.0° |
| H5 | C5 | C6 | H6 | 159.4° | 180.0° |
| H5 | C5 | C6 | H6A | 81.2° | 60.0° |
| H5A | C5 | C6 | C7 | 83.6° | 60.0° |
| H5A | C5 | C6 | H6 | 36.3° | 60.0° |
| H5A | C5 | C6 | H6A | 155.8° | 180.0° |
| C7 | C6 | H6 | H6A | 120.6° | 120.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C10 | 178.2° | 174.2° |
| C6 | C7 | C8 | C9 | 1.7° | 5.9° |
| H6 | C6 | C7 | C8 | 64.5° | 0.8° |
| H6 | C6 | C7 | H7 | 115.5° | 179.2° |
| H6A | C6 | C7 | C8 | 54.9° | 119.2° |
| H6A | C6 | C7 | H7 | 125.1° | 60.8° |
| C7 | C8 | C10 | C9 | 176.5° | 179.9° |
| C7 | C8 | C9 | H9 | 135.5° | 86.5° |
| C7 | C8 | C9 | H9A | 15.5° | 153.5° |
| C7 | C8 | C9 | H9B | 104.5° | 33.5° |
| C7 | C8 | C10 | N1 | 106.0° | 95.0° |
| C7 | C8 | C10 | H10 | 14.0° | 145.1° |
| C7 | C8 | C10 | H10A | 130.8° | 25.1° |
| H7 | C7 | C8 | C10 | 1.8° | 5.8° |
| H7 | C7 | C8 | C9 | 178.3° | 174.2° |
| C10 | C8 | C9 | H9 | 47.9° | 93.6° |
| C10 | C8 | C9 | H9A | 167.9° | 26.4° |
| C10 | C8 | C9 | H9B | 72.1° | 146.4° |
| C8 | C10 | N1 | H10 | 120.0° | 119.9° |
| C8 | C10 | N1 | H10A | 123.2° | 120.0° |
| C8 | C10 | H10 | H10A | 123.8° | 120.0° |
| C8 | C10 | N1 | C11 | 168.1° | 180.0° |
| C8 | C10 | N1 | HN1 | 12.0° | 0.0° |
| C8 | C9 | H9 | H9A | 120.0° | 120.0° |
| C8 | C9 | H9 | H9B | 120.0° | 120.0° |
| C8 | C9 | H9A | H9B | 120.0° | 120.0° |
| C9 | C8 | C10 | N1 | 70.5° | 85.0° |
| C9 | C8 | C10 | H10 | 169.5° | 35.0° |
| C9 | C8 | C10 | H10A | 52.7° | 155.0° |
| H9 | C9 | H9A | H9B | 120.0° | 120.0° |
| N1 | C10 | H10 | H10A | 123.8° | 120.1° |
| C10 | N1 | C11 | HN1 | 180.0° | 180.0° |
| C10 | N1 | C11 | C12 | 179.5° | 180.0° |
| C10 | N1 | C11 | O6 | 1.7° | 0.0° |
| H10 | C10 | N1 | C11 | 72.0° | 60.0° |
| H10 | C10 | N1 | HN1 | 108.0° | 119.9° |
| H10A | C10 | N1 | C11 | 44.8° | 60.0° |
| H10A | C10 | N1 | HN1 | 135.2° | 120.0° |
| N1 | C11 | C12 | O6 | 178.0° | 179.9° |
| N1 | C11 | C12 | C13 | 54.8° | 180.0° |
| N1 | C11 | C12 | H12 | 65.2° | 60.0° |
| N1 | C11 | C12 | H12A | 171.4° | 60.0° |
| HN1 | N1 | C11 | C12 | 0.4° | 0.1° |
| HN1 | N1 | C11 | O6 | 178.3° | 180.0° |
| C11 | C12 | C13 | H12 | 120.0° | 120.0° |
| C11 | C12 | C13 | H12A | 116.5° | 120.0° |
| C11 | C12 | H12 | H12A | 116.9° | 120.0° |
| C11 | C12 | C13 | C14 | 168.5° | 179.9° |
| C11 | C12 | C13 | H13 | 71.5° | 60.0° |
| C11 | C12 | C13 | H13A | 48.7° | 60.1° |
| O6 | C11 | C12 | C13 | 127.2° | 0.0° |
| O6 | C11 | C12 | H12 | 112.8° | 120.0° |
| O6 | C11 | C12 | H12A | 10.6° | 120.0° |
| C13 | C12 | H12 | H12A | 116.9° | 120.0° |
| C12 | C13 | C14 | H13 | 120.0° | 119.9° |
| C12 | C13 | C14 | H13A | 119.8° | 120.0° |
| C12 | C13 | H13 | H13A | 119.8° | 120.1° |
| C12 | C13 | C14 | C15 | 135.3° | 180.0° |
| C12 | C13 | C14 | H14 | 15.3° | 60.0° |
| C12 | C13 | C14 | H14A | 106.0° | 60.0° |
| H12 | C12 | C13 | C14 | 48.5° | 60.0° |
| H12 | C12 | C13 | H13 | 168.5° | 179.9° |
| H12 | C12 | C13 | H13A | 71.2° | 60.0° |
| H12A | C12 | C13 | C14 | 75.0° | 60.0° |
| H12A | C12 | C13 | H13 | 45.0° | 59.9° |
| H12A | C12 | C13 | H13A | 165.3° | 179.9° |
| C14 | C13 | H13 | H13A | 119.8° | 120.0° |
| C13 | C14 | C15 | H14 | 120.0° | 120.0° |
| C13 | C14 | C15 | H14A | 118.7° | 120.1° |
| C13 | C14 | H14 | H14A | 118.7° | 120.0° |
| C13 | C14 | C15 | C16 | 176.0° | 180.0° |
| C13 | C14 | C15 | H15 | 56.0° | 60.0° |
| C13 | C14 | C15 | H15A | 64.3° | 59.9° |
| H13 | C13 | C14 | C15 | 104.7° | 60.1° |
| H13 | C13 | C14 | H14 | 135.3° | 180.0° |
| H13 | C13 | C14 | H14A | 14.0° | 59.9° |
| H13A | C13 | C14 | C15 | 15.5° | 60.0° |
| H13A | C13 | C14 | H14 | 104.5° | 60.0° |
| H13A | C13 | C14 | H14A | 134.2° | 180.0° |
| C15 | C14 | H14 | H14A | 118.8° | 120.0° |
| C14 | C15 | C16 | H15 | 120.0° | 120.0° |
| C14 | C15 | C16 | H15A | 119.8° | 120.0° |
| C14 | C15 | H15 | H15A | 119.8° | 120.0° |
| C14 | C15 | C16 | S1 | 6.6° | 69.0° |
| C14 | C15 | C16 | C19 | 124.8° | 177.6° |
| C14 | C15 | C16 | H16 | 112.9° | 54.3° |
| H14 | C14 | C15 | C16 | 64.0° | 60.0° |
| H14 | C14 | C15 | H15 | 176.0° | 180.0° |
| H14 | C14 | C15 | H15A | 55.7° | 60.0° |
| H14A | C14 | C15 | C16 | 57.3° | 60.0° |
| H14A | C14 | C15 | H15 | 62.7° | 60.0° |
| H14A | C14 | C15 | H15A | 177.0° | 180.0° |
| C16 | C15 | H15 | H15A | 119.7° | 120.0° |
| C15 | C16 | S1 | C19 | 124.2° | 118.4° |
| C15 | C16 | S1 | H16 | 112.8° | 123.3° |
| C15 | C16 | C19 | H16 | 113.1° | 123.2° |
| C15 | C16 | S1 | C17 | 166.3° | 153.0° |
| C15 | C16 | C19 | C18 | 158.9° | 142.8° |
| C15 | C16 | C19 | N2 | 46.0° | 28.1° |
| C15 | C16 | C19 | H19 | 77.4° | 93.7° |
| H15 | C15 | C16 | S1 | 126.6° | 171.0° |
| H15 | C15 | C16 | C19 | 115.2° | 57.5° |
| H15 | C15 | C16 | H16 | 7.1° | 65.7° |
| H15A | C15 | C16 | S1 | 113.2° | 51.0° |
| H15A | C15 | C16 | C19 | 5.1° | 62.4° |
| H15A | C15 | C16 | H16 | 127.4° | 174.3° |
| S1 | C16 | C19 | H16 | 120.3° | 118.4° |
| C16 | S1 | C17 | C18 | 39.4° | 34.7° |
| C16 | S1 | C17 | H17 | 159.4° | 153.0° |
| C16 | S1 | C17 | H17A | 82.8° | 83.8° |
| S1 | C16 | C19 | C18 | 32.3° | 24.4° |
| S1 | C16 | C19 | N2 | 80.6° | 90.3° |
| S1 | C16 | C19 | H19 | 156.0° | 147.9° |
| C19 | C16 | S1 | C17 | 42.1° | 34.6° |
| C16 | C19 | C18 | C17 | 5.1° | 0.3° |
| C16 | C19 | C18 | N3 | 117.3° | 117.8° |
| C16 | C19 | C18 | N2 | 117.0° | 117.7° |
| C16 | C19 | C18 | H19 | 120.0° | 123.7° |
| C16 | C19 | C18 | H18 | 116.6° | 123.7° |
| C16 | C19 | N2 | H19 | 120.0° | 121.7° |
| C16 | C19 | N2 | C20 | 115.9° | 119.9° |
| C16 | C19 | N2 | HN2 | 64.1° | 60.1° |
| H16 | C16 | S1 | C17 | 80.8° | 83.8° |
| H16 | C16 | C19 | C18 | 88.0° | 94.0° |
| H16 | C16 | C19 | N2 | 159.1° | 151.3° |
| H16 | C16 | C19 | H19 | 35.7° | 29.6° |
| S1 | C17 | C18 | H17 | 120.0° | 118.3° |
| S1 | C17 | C18 | H17A | 122.2° | 118.4° |
| S1 | C17 | H17 | H17A | 122.5° | 123.3° |
| S1 | C17 | C18 | N3 | 84.3° | 90.3° |
| S1 | C17 | C18 | C19 | 25.2° | 24.8° |
| S1 | C17 | C18 | H18 | 149.1° | 148.1° |
| C18 | C17 | H17 | H17A | 122.4° | 123.4° |
| C17 | C18 | N3 | C19 | 116.5° | 120.3° |
| C17 | C18 | N3 | H18 | 120.9° | 121.5° |
| C17 | C18 | C19 | H18 | 121.7° | 123.4° |
| C17 | C18 | C19 | N2 | 111.9° | 118.0° |
| C17 | C18 | C19 | H19 | 125.2° | 123.4° |
| C17 | C18 | N3 | C20 | 115.1° | 120.1° |
| C17 | C18 | N3 | HN3 | 64.9° | 59.7° |
| H17 | C17 | C18 | N3 | 35.7° | 28.1° |
| H17 | C17 | C18 | C19 | 145.2° | 143.1° |
| H17 | C17 | C18 | H18 | 90.9° | 93.6° |
| H17A | C17 | C18 | N3 | 153.5° | 151.3° |
| H17A | C17 | C18 | C19 | 97.0° | 93.6° |
| H17A | C17 | C18 | H18 | 26.9° | 29.7° |
| N3 | C18 | C19 | H18 | 126.1° | 118.5° |
| N3 | C18 | C19 | N2 | 0.2° | 0.1° |
| N3 | C18 | C19 | H19 | 122.7° | 118.4° |
| C18 | N3 | C20 | N2 | 2.0° | 0.2° |
| C18 | N3 | C20 | O7 | 178.6° | 179.9° |
| C18 | N3 | C20 | HN3 | 180.0° | 179.8° |
| C18 | C19 | N2 | H19 | 123.2° | 118.3° |
| C18 | C19 | N2 | C20 | 0.9° | 0.0° |
| C18 | C19 | N2 | HN2 | 179.1° | 180.0° |
| C19 | C18 | N3 | C20 | 1.3° | 0.2° |
| C19 | C18 | N3 | HN3 | 178.7° | 180.0° |
| H18 | C18 | C19 | N2 | 126.4° | 118.6° |
| H18 | C18 | C19 | H19 | 3.5° | 0.1° |
| H18 | C18 | N3 | C20 | 123.9° | 118.4° |
| H18 | C18 | N3 | HN3 | 56.0° | 61.8° |
| C19 | N2 | C20 | HN2 | 180.0° | 180.0° |
| C19 | N2 | C20 | O7 | 178.8° | 180.0° |
| C19 | N2 | C20 | N3 | 1.8° | 0.1° |
| H19 | C19 | N2 | C20 | 124.1° | 118.3° |
| H19 | C19 | N2 | HN2 | 55.9° | 61.6° |
| N2 | C20 | O7 | N3 | 179.4° | 179.9° |
| N2 | C20 | N3 | HN3 | 178.0° | 180.0° |
| HN2 | N2 | C20 | O7 | 1.2° | 0.0° |
| HN2 | N2 | C20 | N3 | 178.2° | 179.9° |
| O7 | C20 | N3 | HN3 | 1.5° | 0.1° |
