D4F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O40 | C25 | sing | 1.43Å | 1.38Å | |
| O21 | P19 | doub | 1.48Å | 1.45Å | |
| O39 | C26 | sing | 1.43Å | 1.37Å | |
| O20 | P19 | sing | 1.61Å | 1.45Å | |
| O22 | P19 | sing | 1.61Å | 1.75Å | |
| O22 | C23 | sing | 1.43Å | 1.37Å | |
| P19 | O18 | sing | 1.61Å | 1.79Å | |
| C24 | C23 | sing | 1.53Å | 1.57Å | |
| C24 | C25 | sing | 1.55Å | 1.53Å | |
| C24 | O28 | sing | 1.44Å | 1.44Å | |
| C25 | C26 | sing | 1.54Å | 1.58Å | |
| C26 | C27 | sing | 1.54Å | 1.59Å | |
| O28 | C27 | sing | 1.44Å | 1.38Å | |
| C27 | N29 | sing | 1.47Å | 1.51Å | |
| O18 | C16 | sing | 1.34Å | 1.06Å | |
| C16 | O17 | doub | 1.21Å | 1.22Å | |
| C16 | C2 | sing | 1.51Å | 1.56Å | |
| N29 | C33 | sing | 1.37Å | 1.40Å | Aromatic |
| N29 | C30 | sing | 1.36Å | 1.42Å | Aromatic |
| N34 | C33 | doub | 1.33Å | 1.38Å | Aromatic |
| N34 | C35 | sing | 1.32Å | 1.34Å | Aromatic |
| C33 | C32 | sing | 1.40Å | 1.42Å | Aromatic |
| C30 | N31 | doub | 1.30Å | 1.34Å | Aromatic |
| C1 | C2 | sing | 1.54Å | 1.55Å | |
| C1 | S5 | sing | 1.82Å | 1.83Å | |
| C2 | N3 | sing | 1.45Å | 1.55Å | |
| C35 | N36 | doub | 1.32Å | 1.38Å | Aromatic |
| C32 | N31 | sing | 1.35Å | 1.41Å | Aromatic |
| C32 | C37 | doub | 1.41Å | 1.45Å | Aromatic |
| N3 | C4 | doub | 1.28Å | 1.30Å | |
| N36 | C37 | sing | 1.33Å | 1.38Å | Aromatic |
| S5 | C4 | sing | 1.77Å | 1.70Å | |
| C37 | N38 | sing | 1.38Å | 1.39Å | |
| C4 | C6 | sing | 1.48Å | 1.60Å | |
| C6 | S10 | sing | 1.76Å | 1.78Å | Aromatic |
| C6 | N7 | doub | 1.29Å | 1.33Å | Aromatic |
| S10 | C9 | sing | 1.76Å | 1.81Å | Aromatic |
| N7 | C8 | sing | 1.34Å | 1.50Å | Aromatic |
| C9 | C8 | doub | 1.40Å | 1.41Å | Aromatic |
| C9 | C11 | sing | 1.39Å | 1.45Å | Aromatic |
| C8 | C14 | sing | 1.41Å | 1.44Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | doub | 1.36Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.44Å | Aromatic |
| C12 | O15 | sing | 1.36Å | 1.37Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C24 | H2 | sing | 1.09Å | 1.10Å | |
| C26 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C23 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.08Å | 1.08Å | |
| C35 | H15 | sing | 1.08Å | 1.08Å | |
| N38 | H18 | sing | 0.97Å | 1.00Å | |
| N38 | H19 | sing | 0.97Å | 1.00Å | |
| O15 | H20 | sing | 0.97Å | 0.95Å | |
| O20 | H21 | sing | 0.97Å | 0.95Å | |
| O39 | H22 | sing | 0.97Å | 0.95Å | |
| O40 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O40 | C25 | C24 | 107.4° | 110.5° |
| O40 | C25 | C26 | 118.9° | 110.5° |
| O40 | C25 | H12 | 112.8° | 110.5° |
| C25 | O40 | H23 | 109.5° | 114.0° |
| O21 | P19 | O20 | 122.7° | 109.5° |
| O21 | P19 | O22 | 110.6° | 109.4° |
| O21 | P19 | O18 | 99.5° | 109.5° |
| O39 | C26 | C25 | 110.7° | 110.6° |
| O39 | C26 | C27 | 107.1° | 110.5° |
| O39 | C26 | H3 | 114.0° | 110.4° |
| C26 | O39 | H22 | 109.5° | 114.0° |
| O20 | P19 | O22 | 107.9° | 109.4° |
| O20 | P19 | O18 | 112.7° | 109.5° |
| P19 | O20 | H21 | 109.5° | 114.0° |
| P19 | O22 | C23 | 117.2° | 123.0° |
| O22 | P19 | O18 | 101.3° | 109.5° |
| O22 | C23 | C24 | 104.0° | 109.5° |
| O22 | C23 | H10 | 110.8° | 109.5° |
| O22 | C23 | H11 | 110.8° | 109.5° |
| P19 | O18 | C16 | 125.5° | 117.0° |
| C23 | C24 | C25 | 110.6° | 110.4° |
| C23 | C24 | O28 | 112.8° | 110.4° |
| C23 | C24 | H2 | 107.9° | 110.3° |
| C24 | C23 | H10 | 110.8° | 109.4° |
| C24 | C23 | H11 | 110.8° | 109.5° |
| C25 | C24 | O28 | 107.5° | 104.8° |
| C24 | C25 | C26 | 96.0° | 104.1° |
| C25 | C24 | H2 | 108.4° | 110.4° |
| C24 | C25 | H12 | 110.5° | 110.5° |
| C24 | O28 | C27 | 109.3° | 105.3° |
| O28 | C24 | H2 | 109.5° | 110.5° |
| C25 | C26 | C27 | 103.1° | 104.1° |
| C25 | C26 | H3 | 110.6° | 110.5° |
| C26 | C25 | H12 | 109.8° | 110.5° |
| C26 | C27 | O28 | 106.1° | 104.8° |
| C26 | C27 | N29 | 111.0° | 110.4° |
| C27 | C26 | H3 | 110.6° | 110.5° |
| C26 | C27 | H13 | 110.1° | 110.4° |
| O28 | C27 | N29 | 105.1° | 110.3° |
| O28 | C27 | H13 | 113.2° | 110.5° |
| C27 | N29 | C33 | 124.2° | 126.3° |
| C27 | N29 | C30 | 129.8° | 126.3° |
| N29 | C27 | H13 | 111.1° | 110.3° |
| O18 | C16 | O17 | 129.7° | 120.0° |
| O18 | C16 | C2 | 117.4° | 120.0° |
| O17 | C16 | C2 | 112.8° | 120.0° |
| C16 | C2 | C1 | 108.6° | 109.1° |
| C16 | C2 | N3 | 110.7° | 109.1° |
| C16 | C2 | H6 | 110.6° | 109.0° |
| C33 | N29 | C30 | 105.9° | 107.4° |
| N29 | C33 | N34 | 129.6° | 134.9° |
| N29 | C33 | C32 | 107.0° | 106.0° |
| N29 | C30 | N31 | 111.5° | 110.0° |
| N29 | C30 | H14 | 124.3° | 125.0° |
| C33 | N34 | C35 | 114.6° | 120.6° |
| N34 | C33 | C32 | 123.4° | 119.1° |
| N34 | C35 | N36 | 127.2° | 122.5° |
| N34 | C35 | H15 | 116.4° | 118.8° |
| C33 | C32 | N31 | 108.7° | 107.1° |
| C33 | C32 | C37 | 118.6° | 118.2° |
| C30 | N31 | C32 | 106.9° | 109.4° |
| N31 | C30 | H14 | 124.2° | 125.0° |
| C2 | C1 | S5 | 97.5° | 103.3° |
| C1 | C2 | N3 | 105.3° | 111.2° |
| C2 | C1 | H4 | 112.4° | 110.6° |
| C2 | C1 | H5 | 112.4° | 110.7° |
| C1 | C2 | H6 | 110.7° | 109.1° |
| C1 | S5 | C4 | 93.6° | 95.7° |
| S5 | C1 | H4 | 112.4° | 110.7° |
| S5 | C1 | H5 | 112.4° | 110.7° |
| C2 | N3 | C4 | 106.1° | 119.9° |
| N3 | C2 | H6 | 110.7° | 109.2° |
| C35 | N36 | C37 | 119.2° | 121.2° |
| N36 | C35 | H15 | 116.4° | 118.7° |
| N31 | C32 | C37 | 132.6° | 134.7° |
| C32 | C37 | N36 | 117.0° | 118.5° |
| C32 | C37 | N38 | 121.3° | 120.8° |
| N3 | C4 | S5 | 115.7° | 109.9° |
| N3 | C4 | C6 | 135.0° | 125.0° |
| N36 | C37 | N38 | 121.7° | 120.8° |
| S5 | C4 | C6 | 108.1° | 125.0° |
| C37 | N38 | H18 | 109.5° | 120.0° |
| C37 | N38 | H19 | 109.5° | 120.0° |
| C4 | C6 | S10 | 108.0° | 124.9° |
| C4 | C6 | N7 | 139.8° | 124.9° |
| S10 | C6 | N7 | 112.1° | 110.3° |
| C6 | S10 | C9 | 94.1° | 90.3° |
| C6 | N7 | C8 | 111.4° | 118.2° |
| S10 | C9 | C8 | 104.9° | 108.3° |
| S10 | C9 | C11 | 131.1° | 131.3° |
| N7 | C8 | C9 | 117.4° | 112.9° |
| N7 | C8 | C14 | 126.5° | 128.7° |
| C8 | C9 | C11 | 124.1° | 120.4° |
| C9 | C8 | C14 | 116.0° | 118.3° |
| C9 | C11 | C12 | 118.2° | 120.0° |
| C9 | C11 | H8 | 120.9° | 120.0° |
| C8 | C14 | C13 | 120.8° | 120.6° |
| C8 | C14 | H9 | 119.6° | 119.7° |
| C11 | C12 | C13 | 118.7° | 119.9° |
| C11 | C12 | O15 | 123.8° | 120.0° |
| C12 | C11 | H8 | 120.9° | 120.0° |
| C14 | C13 | C12 | 122.1° | 120.8° |
| C14 | C13 | H1 | 118.9° | 119.6° |
| C13 | C14 | H9 | 119.6° | 119.7° |
| C13 | C12 | O15 | 117.5° | 120.0° |
| C12 | C13 | H1 | 119.0° | 119.6° |
| C12 | O15 | H20 | 109.5° | 114.0° |
| H4 | C1 | H5 | 109.5° | 110.7° |
| H10 | C23 | H11 | 109.5° | 109.5° |
| H18 | N38 | H19 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O40 | C25 | C26 | O39 | 35.4° | 0.1° |
| O40 | C25 | C24 | C23 | 72.1° | 98.6° |
| O40 | C25 | C24 | C26 | 122.8° | 118.6° |
| O40 | C25 | C24 | H12 | 123.5° | 122.7° |
| O40 | C25 | C24 | O28 | 164.3° | 142.6° |
| O40 | C25 | C26 | H12 | 132.0° | 122.7° |
| O40 | C25 | C26 | C27 | 149.7° | 118.6° |
| O40 | C25 | C24 | H2 | 46.0° | 23.7° |
| O40 | C25 | C26 | H3 | 92.1° | 122.7° |
| O21 | P19 | O20 | O22 | 130.2° | 119.9° |
| O21 | P19 | O20 | O18 | 118.8° | 120.0° |
| O21 | P19 | O22 | O18 | 104.7° | 120.0° |
| O21 | P19 | O22 | C23 | 41.1° | 54.9° |
| O21 | P19 | O18 | C16 | 153.6° | 55.0° |
| O21 | P19 | O20 | H21 | 0.0° | 180.0° |
| O39 | C26 | C25 | C24 | 78.2° | 118.7° |
| O39 | C26 | C25 | C27 | 114.3° | 118.7° |
| O39 | C26 | C25 | H3 | 127.4° | 122.6° |
| O39 | C26 | C27 | H3 | 124.8° | 122.5° |
| O39 | C26 | C27 | O28 | 96.0° | 142.8° |
| O39 | C26 | C27 | N29 | 150.3° | 98.4° |
| O39 | C26 | C25 | H12 | 167.4° | 122.6° |
| O39 | C26 | C27 | H13 | 26.8° | 23.9° |
| O20 | P19 | O22 | O18 | 118.6° | 120.0° |
| O20 | P19 | O22 | C23 | 177.8° | 65.0° |
| O20 | P19 | O18 | C16 | 74.8° | 65.0° |
| P19 | O22 | C23 | C24 | 179.4° | 180.0° |
| O22 | P19 | O18 | C16 | 40.3° | 175.0° |
| P19 | O22 | C23 | H10 | 61.5° | 60.0° |
| P19 | O22 | C23 | H11 | 60.3° | 59.9° |
| O22 | P19 | O20 | H21 | 130.3° | 60.1° |
| C23 | O22 | P19 | O18 | 63.6° | 175.0° |
| O22 | C23 | C24 | H10 | 119.1° | 120.0° |
| O22 | C23 | C24 | H11 | 119.1° | 120.0° |
| O22 | C23 | C24 | C25 | 178.5° | 175.0° |
| O22 | C23 | C24 | O28 | 61.0° | 69.7° |
| O22 | C23 | C24 | H2 | 60.0° | 52.7° |
| O22 | C23 | H10 | H11 | 122.5° | 120.0° |
| P19 | O18 | C16 | O17 | 7.9° | 0.0° |
| P19 | O18 | C16 | C2 | 169.9° | 180.0° |
| O18 | P19 | O20 | H21 | 118.7° | 60.0° |
| C23 | C24 | C25 | O28 | 123.5° | 118.8° |
| C23 | C24 | C25 | H2 | 118.2° | 122.2° |
| C23 | C24 | O28 | H2 | 120.2° | 122.3° |
| C23 | C24 | C25 | C26 | 165.0° | 142.8° |
| C23 | C24 | O28 | C27 | 153.9° | 159.4° |
| C24 | C23 | H10 | H11 | 122.6° | 120.0° |
| C23 | C24 | C25 | H12 | 51.3° | 24.1° |
| C25 | C24 | O28 | H2 | 117.6° | 118.9° |
| C24 | C25 | C26 | H12 | 114.4° | 118.7° |
| C24 | C25 | C26 | C27 | 36.1° | 0.0° |
| C25 | C24 | O28 | C27 | 31.7° | 40.6° |
| C24 | C25 | C26 | H3 | 154.3° | 118.7° |
| C25 | C24 | C23 | H10 | 62.4° | 55.0° |
| C25 | C24 | C23 | H11 | 59.4° | 65.0° |
| C24 | C25 | O40 | H23 | 180.0° | 180.0° |
| O28 | C24 | C25 | C26 | 41.5° | 24.0° |
| C24 | O28 | C27 | C26 | 5.5° | 40.6° |
| C24 | O28 | C27 | N29 | 123.2° | 159.4° |
| O28 | C24 | C23 | H10 | 58.1° | 170.3° |
| O28 | C24 | C23 | H11 | 179.9° | 50.4° |
| O28 | C24 | C25 | H12 | 72.2° | 94.7° |
| C24 | O28 | C27 | H13 | 115.3° | 78.4° |
| C25 | C26 | C27 | H3 | 118.3° | 118.7° |
| C25 | C26 | C27 | O28 | 20.9° | 24.0° |
| C25 | C26 | C27 | N29 | 92.7° | 142.8° |
| C26 | C25 | C24 | H2 | 76.8° | 95.0° |
| C25 | C26 | C27 | H13 | 143.7° | 95.0° |
| C25 | C26 | O39 | H22 | 180.0° | 65.3° |
| C26 | C25 | O40 | H23 | 72.7° | 65.4° |
| C26 | C27 | O28 | N29 | 117.7° | 118.8° |
| C26 | C27 | O28 | H13 | 120.8° | 118.9° |
| C26 | C27 | N29 | H13 | 122.9° | 122.3° |
| C26 | C27 | N29 | C33 | 78.2° | 85.0° |
| C26 | C27 | N29 | C30 | 107.2° | 94.9° |
| C27 | C26 | C25 | H12 | 78.3° | 118.7° |
| C27 | C26 | O39 | H22 | 68.2° | 180.0° |
| O28 | C27 | N29 | H13 | 122.8° | 122.4° |
| O28 | C27 | N29 | C33 | 167.6° | 159.7° |
| O28 | C27 | N29 | C30 | 7.1° | 20.4° |
| C27 | O28 | C24 | H2 | 85.9° | 78.3° |
| O28 | C27 | C26 | H3 | 139.2° | 94.7° |
| C27 | N29 | C33 | C30 | 175.7° | 179.9° |
| C27 | N29 | C33 | N34 | 5.0° | 0.3° |
| C27 | N29 | C33 | C32 | 177.1° | 179.7° |
| C27 | N29 | C30 | N31 | 175.2° | 180.0° |
| N29 | C27 | C26 | H3 | 25.5° | 24.1° |
| C27 | N29 | C30 | H14 | 4.8° | 0.3° |
| O18 | C16 | O17 | C2 | 177.9° | 179.9° |
| O18 | C16 | C2 | C1 | 27.2° | 80.0° |
| O18 | C16 | C2 | N3 | 142.4° | 158.3° |
| O18 | C16 | C2 | H6 | 94.5° | 39.1° |
| O17 | C16 | C2 | C1 | 154.6° | 100.0° |
| O17 | C16 | C2 | N3 | 39.4° | 21.8° |
| O17 | C16 | C2 | H6 | 83.7° | 140.9° |
| C16 | C2 | C1 | N3 | 118.7° | 120.5° |
| C16 | C2 | C1 | H6 | 121.6° | 119.0° |
| C16 | C2 | C1 | S5 | 163.4° | 120.5° |
| C16 | C2 | N3 | H6 | 123.0° | 119.1° |
| C16 | C2 | N3 | C4 | 163.3° | 120.5° |
| C16 | C2 | C1 | H4 | 78.6° | 121.1° |
| C16 | C2 | C1 | H5 | 45.4° | 2.0° |
| N29 | C33 | N34 | C32 | 177.5° | 179.4° |
| N29 | C33 | N34 | C35 | 179.5° | 179.5° |
| C33 | N29 | C30 | N31 | 0.2° | 0.0° |
| N29 | C33 | C32 | N31 | 2.5° | 0.4° |
| N29 | C33 | C32 | C37 | 180.0° | 179.9° |
| C33 | N29 | C27 | H13 | 44.7° | 37.3° |
| C33 | N29 | C30 | H14 | 179.8° | 179.7° |
| C30 | N29 | C33 | N34 | 179.2° | 179.7° |
| C30 | N29 | C33 | C32 | 1.4° | 0.2° |
| N29 | C30 | N31 | H14 | 180.0° | 179.7° |
| N29 | C30 | N31 | C32 | 1.7° | 0.3° |
| C30 | N29 | C27 | H13 | 129.9° | 142.8° |
| C33 | N34 | C35 | N36 | 2.1° | 0.3° |
| N34 | C33 | C32 | N31 | 179.5° | 180.0° |
| N34 | C33 | C32 | C37 | 2.0° | 0.4° |
| C33 | N34 | C35 | H15 | 177.9° | 179.9° |
| C35 | N34 | C33 | C32 | 2.0° | 0.0° |
| N34 | C35 | N36 | H15 | 180.0° | 179.8° |
| N34 | C35 | N36 | C37 | 2.1° | 0.2° |
| C33 | C32 | N31 | C30 | 2.6° | 0.4° |
| C33 | C32 | N31 | C37 | 177.1° | 179.6° |
| C33 | C32 | C37 | N36 | 1.9° | 0.4° |
| C33 | C32 | C37 | N38 | 179.6° | 179.5° |
| C30 | N31 | C32 | C37 | 179.6° | 180.0° |
| C2 | C1 | S5 | H4 | 118.0° | 118.4° |
| C2 | C1 | S5 | H5 | 118.0° | 118.5° |
| C1 | C2 | N3 | H6 | 119.8° | 120.5° |
| C1 | C2 | N3 | C4 | 46.1° | 0.0° |
| C2 | C1 | S5 | C4 | 28.9° | 0.0° |
| C2 | C1 | H4 | H5 | 125.6° | 123.1° |
| S5 | C1 | C2 | N3 | 44.7° | 0.0° |
| C1 | S5 | C4 | N3 | 4.1° | 0.1° |
| C1 | S5 | C4 | C6 | 173.9° | 179.9° |
| S5 | C1 | H4 | H5 | 125.6° | 123.1° |
| S5 | C1 | C2 | H6 | 75.0° | 120.5° |
| C2 | N3 | C4 | S5 | 23.3° | 0.0° |
| C2 | N3 | C4 | C6 | 142.9° | 179.9° |
| N3 | C2 | C1 | H4 | 162.7° | 118.5° |
| N3 | C2 | C1 | H5 | 73.3° | 118.4° |
| C35 | N36 | C37 | C32 | 1.9° | 0.1° |
| C35 | N36 | C37 | N38 | 179.6° | 179.8° |
| N31 | C32 | C37 | N36 | 178.7° | 180.0° |
| N31 | C32 | C37 | N38 | 3.6° | 0.1° |
| C32 | N31 | C30 | H14 | 178.3° | 180.0° |
| C32 | C37 | N36 | N38 | 177.8° | 179.9° |
| C32 | C37 | N38 | H18 | 177.7° | 0.0° |
| C32 | C37 | N38 | H19 | 62.3° | 180.0° |
| N3 | C4 | S5 | C6 | 169.8° | 179.9° |
| N3 | C4 | C6 | S10 | 14.2° | 180.0° |
| N3 | C4 | C6 | N7 | 162.1° | 0.1° |
| C4 | N3 | C2 | H6 | 73.7° | 120.5° |
| C37 | N36 | C35 | H15 | 177.9° | 180.0° |
| N36 | C37 | N38 | H18 | 0.0° | 179.9° |
| N36 | C37 | N38 | H19 | 120.0° | 0.1° |
| S5 | C4 | C6 | S10 | 178.9° | 0.1° |
| S5 | C4 | C6 | N7 | 4.9° | 180.0° |
| C4 | S5 | C1 | H4 | 146.9° | 118.5° |
| C4 | S5 | C1 | H5 | 89.1° | 118.4° |
| C37 | N38 | H18 | H19 | 120.0° | 180.0° |
| C4 | C6 | S10 | N7 | 177.4° | 180.0° |
| C4 | C6 | S10 | C9 | 177.5° | 180.0° |
| C4 | C6 | N7 | C8 | 178.5° | 180.0° |
| S10 | C6 | N7 | C8 | 2.3° | 0.0° |
| C6 | S10 | C9 | C8 | 2.2° | 0.0° |
| C6 | S10 | C9 | C11 | 177.4° | 179.7° |
| N7 | C6 | S10 | C9 | 0.1° | 0.0° |
| C6 | N7 | C8 | C9 | 4.4° | 0.0° |
| C6 | N7 | C8 | C14 | 179.6° | 180.0° |
| S10 | C9 | C8 | N7 | 4.0° | 0.0° |
| S10 | C9 | C8 | C11 | 179.7° | 179.7° |
| S10 | C9 | C8 | C14 | 179.5° | 180.0° |
| S10 | C9 | C11 | C12 | 176.9° | 179.9° |
| S10 | C9 | C11 | H8 | 3.1° | 0.4° |
| N7 | C8 | C9 | C14 | 176.4° | 180.0° |
| N7 | C8 | C9 | C11 | 175.6° | 179.7° |
| N7 | C8 | C14 | C13 | 177.1° | 180.0° |
| N7 | C8 | C14 | H9 | 2.9° | 0.0° |
| C8 | C9 | C11 | C12 | 3.6° | 0.3° |
| C9 | C8 | C14 | C13 | 1.0° | 0.0° |
| C8 | C9 | C11 | H8 | 176.4° | 180.0° |
| C9 | C8 | C14 | H9 | 179.0° | 180.0° |
| C11 | C9 | C8 | C14 | 0.8° | 0.3° |
| C9 | C11 | C12 | H8 | 180.0° | 179.7° |
| C9 | C11 | C12 | C13 | 4.4° | 0.0° |
| C9 | C11 | C12 | O15 | 177.7° | 180.0° |
| C8 | C14 | C13 | H9 | 180.0° | 180.0° |
| C8 | C14 | C13 | C12 | 0.1° | 0.3° |
| C8 | C14 | C13 | H1 | 179.9° | 179.9° |
| C11 | C12 | C13 | C14 | 2.7° | 0.3° |
| C11 | C12 | C13 | O15 | 178.1° | 180.0° |
| C11 | C12 | C13 | H1 | 177.3° | 180.0° |
| C11 | C12 | O15 | H20 | 180.0° | 90.0° |
| C14 | C13 | C12 | H1 | 180.0° | 179.7° |
| C14 | C13 | C12 | O15 | 179.2° | 179.7° |
| C13 | C12 | C11 | H8 | 175.7° | 179.7° |
| C12 | C13 | C14 | H9 | 179.9° | 179.7° |
| C13 | C12 | O15 | H20 | 2.0° | 90.0° |
| O15 | C12 | C13 | H1 | 0.8° | 0.1° |
| O15 | C12 | C11 | H8 | 2.3° | 0.3° |
| H1 | C13 | C14 | H9 | 0.1° | 0.1° |
| H2 | C24 | C23 | H10 | 179.2° | 67.3° |
| H2 | C24 | C23 | H11 | 59.1° | 172.8° |
| H2 | C24 | C25 | H12 | 169.5° | 146.4° |
| H3 | C26 | C25 | H12 | 40.0° | 0.0° |
| H3 | C26 | C27 | H13 | 98.0° | 146.4° |
| H3 | C26 | O39 | H22 | 54.5° | 57.4° |
| H4 | C1 | C2 | H6 | 43.0° | 2.0° |
| H5 | C1 | C2 | H6 | 167.0° | 121.1° |
| H12 | C25 | O40 | H23 | 58.0° | 57.3° |
