59F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | C09 | doub | 1.21Å | 1.28Å | |
| O01 | C03 | doub | 1.21Å | 1.24Å | |
| C09 | O03 | sing | 1.34Å | 1.27Å | |
| C09 | C07 | sing | 1.51Å | 1.50Å | |
| O05 | C11 | doub | 1.21Å | 1.23Å | |
| C03 | C02 | sing | 1.51Å | 1.50Å | |
| C07 | N01 | sing | 1.46Å | 1.44Å | |
| C07 | C04 | sing | 1.53Å | 1.40Å | |
| N01 | C01 | sing | 1.47Å | 1.44Å | |
| N02 | C02 | sing | 1.46Å | 1.43Å | |
| N02 | C06 | sing | 1.35Å | 1.44Å | |
| C12 | C13 | sing | 1.53Å | 1.57Å | |
| C12 | N04 | sing | 1.46Å | 1.49Å | |
| C11 | N04 | sing | 1.35Å | 1.47Å | |
| C11 | N03 | sing | 1.35Å | 1.44Å | |
| C15 | C21 | doub | 1.38Å | 1.37Å | Aromatic |
| C15 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| CA | C10 | sing | 1.51Å | 1.51Å | |
| CA | C06 | sing | 1.51Å | 1.48Å | |
| CA | N03 | sing | 1.46Å | 1.44Å | |
| C21 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C10 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | N05 | sing | 1.46Å | 1.46Å | |
| C08 | C04 | sing | 1.53Å | 1.52Å | |
| C04 | C05 | sing | 1.53Å | 1.51Å | |
| N04 | C16 | sing | 1.35Å | 1.43Å | |
| C06 | O02 | doub | 1.21Å | 1.20Å | |
| C22 | O | sing | 1.36Å | 1.41Å | |
| C22 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C01 | S01 | sing | 1.82Å | 1.78Å | |
| C14 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C19 | sing | 1.53Å | 1.52Å | |
| S01 | C05 | sing | 1.82Å | 1.80Å | |
| N05 | C19 | sing | 1.46Å | 1.46Å | |
| N05 | C17 | sing | 1.35Å | 1.40Å | |
| C16 | O06 | doub | 1.21Å | 1.23Å | |
| C16 | C17 | sing | 1.50Å | 1.45Å | |
| C17 | O07 | doub | 1.21Å | 1.24Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| O03 | H5 | sing | 0.97Å | 0.95Å | |
| O | H6 | sing | 0.97Å | 0.95Å | |
| N01 | H7 | sing | 1.01Å | 1.00Å | |
| N02 | H9 | sing | 0.97Å | 1.00Å | |
| N03 | H10 | sing | 0.97Å | 1.00Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C02 | H12 | sing | 1.09Å | 1.10Å | |
| C03 | H13 | sing | 1.08Å | 1.08Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C04 | H15 | sing | 1.09Å | 1.10Å | |
| C05 | H16 | sing | 1.09Å | 1.10Å | |
| C05 | H17 | sing | 1.09Å | 1.10Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| C08 | H19 | sing | 1.09Å | 1.10Å | |
| C08 | H20 | sing | 1.09Å | 1.10Å | |
| CA | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.08Å | 1.08Å | |
| C21 | H27 | sing | 1.08Å | 1.08Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | C09 | O03 | 120.6° | 120.0° |
| O04 | C09 | C07 | 121.4° | 120.0° |
| O01 | C03 | C02 | 119.1° | 120.0° |
| O01 | C03 | H13 | 120.5° | 120.0° |
| O03 | C09 | C07 | 118.0° | 120.0° |
| C09 | O03 | H5 | 109.5° | 117.0° |
| C09 | C07 | N01 | 111.2° | 109.2° |
| C09 | C07 | C04 | 121.8° | 109.2° |
| C09 | C07 | H14 | 99.9° | 109.1° |
| O05 | C11 | N04 | 122.7° | 120.0° |
| O05 | C11 | N03 | 120.6° | 120.0° |
| C03 | C02 | N02 | 104.9° | 109.5° |
| C03 | C02 | C01 | 111.5° | 109.5° |
| C03 | C02 | H12 | 107.5° | 109.5° |
| C02 | C03 | H13 | 120.5° | 120.0° |
| N01 | C07 | C04 | 117.6° | 110.9° |
| C07 | N01 | C01 | 125.2° | 111.6° |
| C07 | N01 | H7 | 105.4° | 111.0° |
| N01 | C07 | H14 | 100.4° | 109.1° |
| C07 | C04 | C08 | 122.0° | 109.5° |
| C07 | C04 | C05 | 117.8° | 109.7° |
| C04 | C07 | H14 | 100.7° | 109.2° |
| C07 | C04 | H15 | 94.9° | 109.4° |
| N01 | C01 | C02 | 107.9° | 109.6° |
| N01 | C01 | S01 | 113.1° | 108.7° |
| C01 | N01 | H7 | 105.4° | 111.0° |
| N01 | C01 | H11 | 108.9° | 109.6° |
| C02 | N02 | C06 | 117.8° | 120.0° |
| N02 | C02 | C01 | 117.0° | 109.5° |
| C02 | N02 | H9 | 121.1° | 120.0° |
| N02 | C02 | H12 | 108.4° | 109.5° |
| N02 | C06 | CA | 118.3° | 120.0° |
| N02 | C06 | O02 | 121.9° | 120.0° |
| C06 | N02 | H9 | 121.1° | 120.0° |
| C13 | C12 | N04 | 115.4° | 110.5° |
| C12 | C13 | N05 | 115.4° | 110.6° |
| C12 | C13 | H1 | 108.0° | 109.3° |
| C12 | C13 | H2 | 108.0° | 109.2° |
| C13 | C12 | H22 | 108.0° | 109.3° |
| C13 | C12 | H23 | 108.0° | 109.2° |
| C12 | N04 | C11 | 118.1° | 119.9° |
| C12 | N04 | C16 | 122.5° | 120.2° |
| N04 | C12 | H22 | 108.0° | 109.3° |
| N04 | C12 | H23 | 108.0° | 109.3° |
| N04 | C11 | N03 | 116.6° | 120.0° |
| C11 | N04 | C16 | 119.4° | 119.9° |
| C11 | N03 | CA | 121.4° | 120.0° |
| C11 | N03 | H10 | 119.3° | 120.0° |
| C21 | C15 | C10 | 120.3° | 120.1° |
| C15 | C21 | C22 | 120.0° | 119.9° |
| C21 | C15 | H4 | 119.8° | 119.9° |
| C15 | C21 | H27 | 120.0° | 120.1° |
| C15 | C10 | CA | 117.0° | 120.0° |
| C15 | C10 | C14 | 120.3° | 120.1° |
| C10 | C15 | H4 | 119.8° | 120.0° |
| C10 | CA | C06 | 113.8° | 109.5° |
| C10 | CA | N03 | 117.1° | 109.4° |
| CA | C10 | C14 | 122.7° | 120.0° |
| C10 | CA | H21 | 106.9° | 109.4° |
| C06 | CA | N03 | 103.6° | 109.5° |
| CA | C06 | O02 | 119.8° | 120.0° |
| C06 | CA | H21 | 107.2° | 109.5° |
| CA | N03 | H10 | 119.3° | 120.0° |
| N03 | CA | H21 | 107.8° | 109.5° |
| C21 | C22 | O | 117.9° | 120.1° |
| C21 | C22 | C20 | 120.5° | 119.9° |
| C22 | C21 | H27 | 120.0° | 120.0° |
| C02 | C01 | S01 | 113.7° | 109.6° |
| C02 | C01 | H11 | 107.8° | 109.8° |
| C01 | C02 | H12 | 107.2° | 109.4° |
| C10 | C14 | C20 | 119.4° | 120.1° |
| C10 | C14 | H3 | 120.3° | 119.9° |
| C13 | N05 | C19 | 112.9° | 119.9° |
| C13 | N05 | C17 | 124.3° | 120.2° |
| N05 | C13 | H1 | 108.0° | 109.3° |
| N05 | C13 | H2 | 108.0° | 109.3° |
| C08 | C04 | C05 | 118.3° | 109.4° |
| C08 | C04 | H15 | 94.5° | 109.4° |
| C04 | C08 | H18 | 109.5° | 109.5° |
| C04 | C08 | H19 | 109.4° | 109.5° |
| C04 | C08 | H20 | 109.5° | 109.5° |
| C04 | C05 | S01 | 112.1° | 108.5° |
| C05 | C04 | H15 | 94.5° | 109.4° |
| C04 | C05 | H16 | 108.8° | 109.7° |
| C04 | C05 | H17 | 108.8° | 109.6° |
| N04 | C16 | O06 | 121.0° | 120.4° |
| N04 | C16 | C17 | 119.9° | 119.1° |
| O | C22 | C20 | 121.6° | 120.0° |
| C22 | O | H6 | 109.5° | 114.1° |
| C22 | C20 | C14 | 119.5° | 119.9° |
| C22 | C20 | H26 | 120.2° | 120.0° |
| C01 | S01 | C05 | 92.2° | 102.0° |
| S01 | C01 | H11 | 105.2° | 109.6° |
| C20 | C14 | H3 | 120.3° | 119.9° |
| C14 | C20 | H26 | 120.2° | 120.1° |
| C23 | C19 | N05 | 110.5° | 109.5° |
| C23 | C19 | H24 | 109.2° | 109.5° |
| C23 | C19 | H25 | 109.2° | 109.5° |
| C19 | C23 | H28 | 109.5° | 109.4° |
| C19 | C23 | H29 | 109.5° | 109.5° |
| C19 | C23 | H30 | 109.5° | 109.5° |
| S01 | C05 | H16 | 108.8° | 109.6° |
| S01 | C05 | H17 | 108.8° | 109.6° |
| C19 | N05 | C17 | 122.7° | 119.9° |
| N05 | C19 | H24 | 109.2° | 109.5° |
| N05 | C19 | H25 | 109.2° | 109.5° |
| N05 | C17 | C16 | 120.0° | 119.1° |
| N05 | C17 | O07 | 120.5° | 120.5° |
| O06 | C16 | C17 | 119.1° | 120.5° |
| C16 | C17 | O07 | 119.6° | 120.4° |
| H1 | C13 | H2 | 109.5° | 109.2° |
| H16 | C05 | H17 | 109.5° | 109.8° |
| H18 | C08 | H19 | 109.5° | 109.5° |
| H18 | C08 | H20 | 109.5° | 109.4° |
| H19 | C08 | H20 | 109.5° | 109.4° |
| H22 | C12 | H23 | 109.5° | 109.3° |
| H24 | C19 | H25 | 109.5° | 109.4° |
| H28 | C23 | H29 | 109.5° | 109.5° |
| H28 | C23 | H30 | 109.4° | 109.5° |
| H29 | C23 | H30 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | C09 | O03 | C07 | 178.4° | 180.0° |
| O04 | C09 | C07 | N01 | 106.5° | 154.5° |
| O04 | C09 | C07 | C04 | 108.0° | 33.1° |
| O04 | C09 | O03 | H5 | 0.0° | 0.0° |
| O04 | C09 | C07 | H14 | 1.2° | 86.2° |
| O01 | C03 | C02 | H13 | 180.0° | 180.0° |
| O01 | C03 | C02 | N02 | 11.2° | 0.0° |
| O01 | C03 | C02 | C01 | 116.4° | 120.0° |
| O01 | C03 | C02 | H12 | 126.4° | 120.0° |
| O03 | C09 | C07 | N01 | 71.9° | 25.4° |
| O03 | C09 | C07 | C04 | 73.6° | 146.8° |
| O03 | C09 | C07 | H14 | 177.2° | 93.8° |
| C09 | C07 | N01 | C04 | 147.1° | 120.4° |
| C09 | C07 | N01 | H14 | 105.0° | 119.3° |
| C09 | C07 | C04 | H14 | 108.8° | 119.3° |
| C09 | C07 | N01 | C01 | 180.0° | 47.7° |
| C09 | C07 | C04 | C08 | 3.7° | 69.8° |
| C09 | C07 | C04 | C05 | 160.1° | 50.3° |
| C07 | C09 | O03 | H5 | 178.4° | 180.0° |
| C09 | C07 | N01 | H7 | 57.9° | 76.7° |
| C09 | C07 | C04 | H15 | 102.2° | 170.4° |
| O05 | C11 | N04 | C12 | 1.8° | 175.3° |
| O05 | C11 | N04 | N03 | 179.6° | 179.7° |
| O05 | C11 | N03 | CA | 1.8° | 5.0° |
| O05 | C11 | N04 | C16 | 179.9° | 4.7° |
| O05 | C11 | N03 | H10 | 178.2° | 175.0° |
| C03 | C02 | C01 | N01 | 31.9° | 60.0° |
| C03 | C02 | N02 | C01 | 124.1° | 120.1° |
| C03 | C02 | N02 | H12 | 114.6° | 120.0° |
| C03 | C02 | N02 | C06 | 136.8° | 85.0° |
| C03 | C02 | C01 | H12 | 117.4° | 120.0° |
| C03 | C02 | C01 | S01 | 158.2° | 59.2° |
| C03 | C02 | N02 | H9 | 43.2° | 95.0° |
| C03 | C02 | C01 | H11 | 85.5° | 179.6° |
| N01 | C07 | C04 | H14 | 107.8° | 120.3° |
| C07 | N01 | C01 | H7 | 122.1° | 124.4° |
| C07 | N01 | C01 | C02 | 136.3° | 175.9° |
| N01 | C07 | C04 | C08 | 147.1° | 169.8° |
| N01 | C07 | C04 | C05 | 16.6° | 70.1° |
| C07 | N01 | C01 | S01 | 9.7° | 64.4° |
| C07 | N01 | C01 | H11 | 107.0° | 55.3° |
| N01 | C07 | C04 | H15 | 114.4° | 50.0° |
| C04 | C07 | N01 | C01 | 32.9° | 72.7° |
| C07 | C04 | C08 | C05 | 163.7° | 120.2° |
| C07 | C04 | C08 | H15 | 98.7° | 119.9° |
| C07 | C04 | C05 | H15 | 98.0° | 120.1° |
| C07 | C04 | C05 | S01 | 36.6° | 60.9° |
| C04 | C07 | N01 | H7 | 89.2° | 162.9° |
| C07 | C04 | C05 | H16 | 156.9° | 58.8° |
| C07 | C04 | C05 | H17 | 83.8° | 179.4° |
| C07 | C04 | C08 | H18 | 180.0° | 60.0° |
| C07 | C04 | C08 | H19 | 60.0° | 180.0° |
| C07 | C04 | C08 | H20 | 60.0° | 60.0° |
| N01 | C01 | C02 | N02 | 88.8° | 180.0° |
| N01 | C01 | C02 | S01 | 126.3° | 119.2° |
| N01 | C01 | C02 | H11 | 117.5° | 120.5° |
| N01 | C01 | S01 | H11 | 118.8° | 119.8° |
| N01 | C01 | S01 | C05 | 50.8° | 52.2° |
| N01 | C01 | C02 | H12 | 149.3° | 60.0° |
| C01 | N01 | C07 | H14 | 75.0° | 167.0° |
| C02 | N02 | C06 | H9 | 180.0° | 180.0° |
| C02 | N02 | C06 | CA | 177.4° | 180.0° |
| N02 | C02 | C01 | H12 | 121.9° | 120.0° |
| C02 | N02 | C06 | O02 | 2.4° | 0.0° |
| N02 | C02 | C01 | S01 | 37.5° | 60.8° |
| N02 | C02 | C01 | H11 | 153.8° | 59.5° |
| N02 | C02 | C03 | H13 | 168.9° | 180.0° |
| N02 | C06 | CA | C10 | 92.0° | 60.0° |
| N02 | C06 | CA | O02 | 179.8° | 180.0° |
| N02 | C06 | CA | N03 | 139.8° | 180.0° |
| C06 | N02 | C02 | C01 | 99.1° | 155.0° |
| C06 | N02 | C02 | H12 | 22.2° | 35.0° |
| N02 | C06 | CA | H21 | 26.0° | 60.0° |
| C13 | C12 | N04 | H22 | 120.9° | 120.3° |
| C13 | C12 | N04 | H23 | 120.9° | 120.2° |
| C13 | C12 | N04 | C11 | 167.9° | 142.5° |
| C12 | C13 | N05 | H1 | 120.9° | 120.3° |
| C12 | C13 | N05 | H2 | 120.9° | 120.3° |
| C13 | C12 | N04 | C16 | 13.8° | 37.5° |
| C12 | C13 | N05 | C19 | 167.9° | 142.5° |
| C12 | C13 | N05 | C17 | 12.5° | 37.5° |
| C12 | C13 | H1 | H2 | 117.3° | 119.4° |
| C13 | C12 | H22 | H23 | 117.3° | 119.5° |
| C12 | N04 | C11 | C16 | 178.3° | 180.0° |
| C12 | N04 | C11 | N03 | 177.8° | 5.0° |
| N04 | C12 | C13 | N05 | 18.5° | 51.5° |
| C12 | N04 | C16 | O06 | 178.8° | 174.0° |
| C12 | N04 | C16 | C17 | 1.5° | 6.0° |
| N04 | C12 | C13 | H1 | 102.3° | 68.8° |
| N04 | C12 | C13 | H2 | 139.4° | 171.8° |
| N04 | C12 | H22 | H23 | 117.3° | 119.5° |
| N04 | C11 | N03 | CA | 178.6° | 174.7° |
| C11 | N04 | C16 | O06 | 0.5° | 5.9° |
| C11 | N04 | C16 | C17 | 179.8° | 174.0° |
| N04 | C11 | N03 | H10 | 1.4° | 5.3° |
| C11 | N04 | C12 | H22 | 71.3° | 22.2° |
| C11 | N04 | C12 | H23 | 47.0° | 97.3° |
| C11 | N03 | CA | C10 | 88.9° | 85.0° |
| C11 | N03 | CA | C06 | 144.9° | 155.0° |
| C11 | N03 | CA | H10 | 180.0° | 180.0° |
| N03 | C11 | N04 | C16 | 0.5° | 175.0° |
| C11 | N03 | CA | H21 | 31.5° | 35.0° |
| C21 | C15 | C10 | H4 | 180.0° | 179.2° |
| C21 | C15 | C10 | CA | 179.1° | 179.5° |
| C15 | C21 | C22 | H27 | 180.0° | 179.2° |
| C21 | C15 | C10 | C14 | 1.0° | 0.6° |
| C15 | C21 | C22 | O | 179.8° | 179.9° |
| C15 | C21 | C22 | C20 | 0.1° | 0.5° |
| C15 | C10 | CA | C14 | 178.0° | 179.9° |
| C15 | C10 | CA | C06 | 51.8° | 99.9° |
| C15 | C10 | CA | N03 | 172.7° | 140.1° |
| C10 | C15 | C21 | C22 | 0.6° | 0.8° |
| C15 | C10 | C14 | C20 | 0.7° | 0.1° |
| C15 | C10 | C14 | H3 | 179.3° | 179.7° |
| C15 | C10 | CA | H21 | 66.4° | 20.1° |
| C10 | C15 | C21 | H27 | 179.4° | 180.0° |
| C10 | CA | C06 | N03 | 128.2° | 120.0° |
| C10 | CA | C06 | H21 | 118.0° | 120.0° |
| C10 | CA | N03 | H21 | 120.4° | 120.0° |
| C10 | CA | C06 | O02 | 88.2° | 120.0° |
| CA | C10 | C14 | C20 | 178.7° | 180.0° |
| CA | C10 | C14 | H3 | 1.3° | 0.2° |
| CA | C10 | C15 | H4 | 0.9° | 0.3° |
| C10 | CA | N03 | H10 | 91.1° | 95.0° |
| C06 | CA | N03 | H21 | 113.4° | 120.1° |
| C06 | CA | C10 | C14 | 130.2° | 80.0° |
| CA | C06 | N02 | H9 | 2.6° | 0.0° |
| C06 | CA | N03 | H10 | 35.1° | 25.0° |
| N03 | CA | C10 | C14 | 9.2° | 40.0° |
| N03 | CA | C06 | O02 | 40.0° | 0.0° |
| C21 | C22 | O | C20 | 179.9° | 179.6° |
| C21 | C22 | C20 | C14 | 0.3° | 0.0° |
| C22 | C21 | C15 | H4 | 179.4° | 180.0° |
| C21 | C22 | O | H6 | 180.0° | 90.0° |
| C21 | C22 | C20 | H26 | 179.7° | 180.0° |
| C02 | C01 | S01 | H11 | 117.8° | 120.5° |
| C02 | C01 | S01 | C05 | 174.3° | 172.0° |
| C02 | C01 | N01 | H7 | 101.6° | 51.4° |
| C01 | C02 | N02 | H9 | 80.9° | 25.0° |
| C01 | C02 | C03 | H13 | 63.6° | 60.0° |
| C10 | C14 | C20 | C22 | 0.1° | 0.2° |
| C10 | C14 | C20 | H3 | 180.0° | 179.8° |
| C14 | C10 | C15 | H4 | 179.0° | 179.8° |
| C14 | C10 | CA | H21 | 111.6° | 160.0° |
| C10 | C14 | C20 | H26 | 179.9° | 179.8° |
| C13 | N05 | C19 | C23 | 44.9° | 90.0° |
| C13 | N05 | C19 | C17 | 179.7° | 179.9° |
| C13 | N05 | C17 | C16 | 0.0° | 6.0° |
| C13 | N05 | C17 | O07 | 179.3° | 174.1° |
| N05 | C13 | H1 | H2 | 117.3° | 119.5° |
| N05 | C13 | C12 | H22 | 102.3° | 171.8° |
| N05 | C13 | C12 | H23 | 139.4° | 68.7° |
| C13 | N05 | C19 | H24 | 165.0° | 149.9° |
| C13 | N05 | C19 | H25 | 75.3° | 30.0° |
| C08 | C04 | C05 | H15 | 97.6° | 119.8° |
| C08 | C04 | C05 | S01 | 159.0° | 179.0° |
| C08 | C04 | C07 | H14 | 105.1° | 49.5° |
| C08 | C04 | C05 | H16 | 38.7° | 61.3° |
| C08 | C04 | C05 | H17 | 80.6° | 59.3° |
| C04 | C08 | H18 | H19 | 120.0° | 120.1° |
| C04 | C08 | H18 | H20 | 120.0° | 120.0° |
| C04 | C08 | H19 | H20 | 120.0° | 120.0° |
| C04 | C05 | S01 | C01 | 65.0° | 51.3° |
| C04 | C05 | S01 | H16 | 120.4° | 119.8° |
| C04 | C05 | S01 | H17 | 120.4° | 119.7° |
| C05 | C04 | C07 | H14 | 91.1° | 169.6° |
| C04 | C05 | H16 | H17 | 118.8° | 120.5° |
| C05 | C04 | C08 | H18 | 16.3° | 60.3° |
| C05 | C04 | C08 | H19 | 136.3° | 59.8° |
| C05 | C04 | C08 | H20 | 103.7° | 179.8° |
| N04 | C16 | C17 | N05 | 6.2° | 11.8° |
| N04 | C16 | O06 | C17 | 179.7° | 179.9° |
| N04 | C16 | C17 | O07 | 174.6° | 168.2° |
| C16 | N04 | C12 | H22 | 107.0° | 157.8° |
| C16 | N04 | C12 | H23 | 134.7° | 82.7° |
| O02 | C06 | N02 | H9 | 177.6° | 180.0° |
| O02 | C06 | CA | H21 | 153.8° | 120.0° |
| O | C22 | C20 | C14 | 179.5° | 179.6° |
| O | C22 | C20 | H26 | 0.5° | 0.4° |
| O | C22 | C21 | H27 | 0.2° | 0.7° |
| C22 | C20 | C14 | H26 | 180.0° | 180.0° |
| C22 | C20 | C14 | H3 | 179.9° | 180.0° |
| C20 | C22 | O | H6 | 0.1° | 90.5° |
| C20 | C22 | C21 | H27 | 179.9° | 179.7° |
| S01 | C01 | N01 | H7 | 131.8° | 171.1° |
| S01 | C01 | C02 | H12 | 84.4° | 179.2° |
| C01 | S01 | C05 | H16 | 174.6° | 68.4° |
| C01 | S01 | C05 | H17 | 55.4° | 171.0° |
| C23 | C19 | N05 | H24 | 120.1° | 120.0° |
| C23 | C19 | N05 | H25 | 120.2° | 120.0° |
| C23 | C19 | N05 | C17 | 134.8° | 90.0° |
| C23 | C19 | H24 | H25 | 119.5° | 120.0° |
| C19 | C23 | H28 | H29 | 120.0° | 120.0° |
| C19 | C23 | H28 | H30 | 120.0° | 120.0° |
| C19 | C23 | H29 | H30 | 120.0° | 120.0° |
| C05 | S01 | C01 | H11 | 67.9° | 67.5° |
| S01 | C05 | C04 | H15 | 61.4° | 59.2° |
| S01 | C05 | H16 | H17 | 118.8° | 120.5° |
| C19 | N05 | C17 | C16 | 179.6° | 174.0° |
| C19 | N05 | C17 | O07 | 0.3° | 6.0° |
| C19 | N05 | C13 | H1 | 71.2° | 97.2° |
| C19 | N05 | C13 | H2 | 47.0° | 22.2° |
| N05 | C19 | H24 | H25 | 119.5° | 120.0° |
| N05 | C19 | C23 | H28 | 180.0° | 60.0° |
| N05 | C19 | C23 | H29 | 60.0° | 60.0° |
| N05 | C19 | C23 | H30 | 60.0° | 180.0° |
| N05 | C17 | C16 | O06 | 173.5° | 168.2° |
| N05 | C17 | C16 | O07 | 179.3° | 180.0° |
| C17 | N05 | C13 | H1 | 108.4° | 82.8° |
| C17 | N05 | C13 | H2 | 133.3° | 157.7° |
| C17 | N05 | C19 | H24 | 14.7° | 30.0° |
| C17 | N05 | C19 | H25 | 105.0° | 150.0° |
| O06 | C16 | C17 | O07 | 5.8° | 11.8° |
| H1 | C13 | C12 | H22 | 136.8° | 51.5° |
| H1 | C13 | C12 | H23 | 18.5° | 171.0° |
| H2 | C13 | C12 | H22 | 18.5° | 67.9° |
| H2 | C13 | C12 | H23 | 99.7° | 51.6° |
| H3 | C14 | C20 | H26 | 0.1° | 0.0° |
| H4 | C15 | C21 | H27 | 0.6° | 0.8° |
| H7 | N01 | C01 | H11 | 15.1° | 69.1° |
| H7 | N01 | C07 | H14 | 162.9° | 42.5° |
| H9 | N02 | C02 | H12 | 157.8° | 145.0° |
| H10 | N03 | CA | H21 | 148.5° | 145.0° |
| H11 | C01 | C02 | H12 | 31.8° | 60.4° |
| H12 | C02 | C03 | H13 | 53.6° | 60.0° |
| H14 | C07 | C04 | H15 | 6.6° | 70.4° |
| H15 | C04 | C05 | H16 | 58.9° | 178.9° |
| H15 | C04 | C05 | H17 | 178.2° | 60.5° |
| H15 | C04 | C08 | H18 | 81.3° | 179.9° |
| H15 | C04 | C08 | H19 | 38.7° | 60.1° |
| H15 | C04 | C08 | H20 | 158.7° | 59.9° |
| H18 | C08 | H19 | H20 | 120.0° | 120.0° |
| H24 | C19 | C23 | H28 | 59.9° | 180.0° |
| H24 | C19 | C23 | H29 | 60.2° | 60.0° |
| H24 | C19 | C23 | H30 | 179.9° | 60.0° |
| H25 | C19 | C23 | H28 | 59.8° | 60.0° |
| H25 | C19 | C23 | H29 | 179.8° | 180.0° |
| H25 | C19 | C23 | H30 | 60.2° | 60.0° |
| H28 | C23 | H29 | H30 | 119.9° | 120.0° |
