JPP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O03 | C04 | doub | 1.21Å | 1.26Å | |
| O01 | C01 | doub | 1.21Å | 1.23Å | |
| O02 | C04 | sing | 1.34Å | 1.27Å | |
| C04 | C18 | sing | 1.51Å | 1.48Å | |
| O04 | C06 | doub | 1.22Å | 1.21Å | |
| C01 | C20 | sing | 1.51Å | 1.51Å | |
| C18 | N02 | sing | 1.47Å | 1.42Å | |
| C18 | C19 | sing | 1.54Å | 1.55Å | |
| C07 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C07 | C05 | sing | 1.38Å | 1.49Å | Aromatic |
| C12 | C16 | sing | 1.38Å | 1.50Å | Aromatic |
| C09 | C10 | sing | 1.53Å | 1.59Å | |
| C09 | N01 | sing | 1.46Å | 1.44Å | |
| C03 | C19 | sing | 1.53Å | 1.53Å | |
| N02 | C17 | sing | 1.49Å | 1.46Å | |
| N03 | C20 | sing | 1.46Å | 1.46Å | |
| N03 | C21 | sing | 1.35Å | 1.42Å | |
| C06 | N01 | sing | 1.35Å | 1.48Å | |
| C06 | N04 | sing | 1.35Å | 1.44Å | |
| C10 | N | sing | 1.46Å | 1.52Å | |
| CA | C05 | sing | 1.51Å | 1.50Å | |
| CA | C21 | sing | 1.51Å | 1.48Å | |
| CA | N04 | sing | 1.46Å | 1.47Å | |
| C19 | C02 | sing | 1.53Å | 1.52Å | |
| C19 | S | sing | 1.84Å | 1.79Å | |
| C20 | C17 | sing | 1.53Å | 1.52Å | |
| C05 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
| N01 | C11 | sing | 1.35Å | 1.36Å | |
| C16 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| C21 | O06 | doub | 1.21Å | 1.22Å | |
| C17 | S | sing | 1.84Å | 1.79Å | |
| C08 | C13 | sing | 1.38Å | 1.51Å | Aromatic |
| N | C15 | sing | 1.47Å | 1.45Å | |
| N | C14 | sing | 1.35Å | 1.41Å | |
| C11 | O05 | doub | 1.21Å | 1.22Å | |
| C11 | C14 | sing | 1.50Å | 1.42Å | |
| C | C15 | sing | 1.53Å | 1.49Å | |
| C14 | O | doub | 1.21Å | 1.22Å | |
| O02 | H1 | sing | 0.97Å | 0.95Å | |
| N02 | H2 | sing | 1.01Å | 1.00Å | |
| N03 | H4 | sing | 0.97Å | 1.00Å | |
| N04 | H5 | sing | 0.97Å | 1.00Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.08Å | 1.08Å | |
| C02 | H10 | sing | 1.09Å | 1.10Å | |
| C02 | H11 | sing | 1.09Å | 1.10Å | |
| C02 | H12 | sing | 1.09Å | 1.10Å | |
| C03 | H13 | sing | 1.09Å | 1.10Å | |
| C03 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| CA | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.08Å | 1.08Å | |
| C08 | H18 | sing | 1.08Å | 1.08Å | |
| C09 | H19 | sing | 1.09Å | 1.10Å | |
| C09 | H20 | sing | 1.09Å | 1.10Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| C10 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.08Å | 1.08Å | |
| C13 | H24 | sing | 1.08Å | 1.08Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.08Å | 1.08Å | |
| C | H28 | sing | 1.09Å | 1.10Å | |
| C | H29 | sing | 1.09Å | 1.10Å | |
| C | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O03 | C04 | O02 | 119.6° | 120.0° |
| O03 | C04 | C18 | 118.5° | 120.0° |
| O01 | C01 | C20 | 119.2° | 120.0° |
| O01 | C01 | H9 | 120.4° | 120.0° |
| O02 | C04 | C18 | 121.9° | 120.0° |
| C04 | O02 | H1 | 109.5° | 117.0° |
| C04 | C18 | N02 | 111.9° | 108.8° |
| C04 | C18 | C19 | 114.3° | 108.8° |
| C04 | C18 | H7 | 108.4° | 108.6° |
| O04 | C06 | N01 | 123.1° | 119.9° |
| O04 | C06 | N04 | 118.0° | 120.0° |
| C01 | C20 | N03 | 103.1° | 109.5° |
| C01 | C20 | C17 | 109.3° | 109.5° |
| C01 | C20 | H8 | 107.9° | 109.4° |
| C20 | C01 | H9 | 120.4° | 120.0° |
| N02 | C18 | C19 | 105.2° | 112.9° |
| C18 | N02 | C17 | 110.0° | 110.9° |
| C18 | N02 | H2 | 109.3° | 111.0° |
| N02 | C18 | H7 | 109.3° | 108.8° |
| C18 | C19 | C03 | 112.0° | 110.8° |
| C18 | C19 | C02 | 110.5° | 110.6° |
| C18 | C19 | S | 101.6° | 103.5° |
| C19 | C18 | H7 | 107.6° | 108.8° |
| C12 | C07 | C05 | 120.8° | 120.0° |
| C07 | C12 | C16 | 120.3° | 120.0° |
| C12 | C07 | H17 | 119.6° | 120.0° |
| C07 | C12 | H23 | 119.8° | 120.0° |
| C07 | C05 | CA | 117.6° | 120.0° |
| C07 | C05 | C08 | 119.2° | 120.0° |
| C05 | C07 | H17 | 119.7° | 120.0° |
| C12 | C16 | C13 | 118.9° | 120.0° |
| C16 | C12 | H23 | 119.8° | 120.0° |
| C12 | C16 | H27 | 120.5° | 119.9° |
| C10 | C09 | N01 | 107.8° | 110.6° |
| C09 | C10 | N | 109.1° | 110.5° |
| C10 | C09 | H19 | 109.9° | 109.2° |
| C10 | C09 | H20 | 109.9° | 109.3° |
| C09 | C10 | H21 | 109.5° | 109.2° |
| C09 | C10 | H22 | 109.6° | 109.3° |
| C09 | N01 | C06 | 116.3° | 119.9° |
| C09 | N01 | C11 | 126.3° | 120.2° |
| N01 | C09 | H19 | 109.9° | 109.3° |
| N01 | C09 | H20 | 109.9° | 109.3° |
| C03 | C19 | C02 | 110.4° | 110.6° |
| C03 | C19 | S | 110.7° | 110.6° |
| C19 | C03 | H13 | 109.5° | 109.5° |
| C19 | C03 | H14 | 109.4° | 109.5° |
| C19 | C03 | H15 | 109.5° | 109.4° |
| N02 | C17 | C20 | 112.5° | 111.2° |
| N02 | C17 | S | 104.1° | 100.9° |
| C17 | N02 | H2 | 109.3° | 111.0° |
| N02 | C17 | H6 | 109.0° | 111.2° |
| C20 | N03 | C21 | 119.9° | 120.0° |
| N03 | C20 | C17 | 119.9° | 109.5° |
| C20 | N03 | H4 | 120.1° | 120.0° |
| N03 | C20 | H8 | 108.4° | 109.5° |
| N03 | C21 | CA | 120.0° | 120.0° |
| N03 | C21 | O06 | 119.4° | 120.0° |
| C21 | N03 | H4 | 120.0° | 120.0° |
| N01 | C06 | N04 | 118.9° | 120.0° |
| C06 | N01 | C11 | 117.4° | 119.9° |
| C06 | N04 | CA | 118.1° | 120.0° |
| C06 | N04 | H5 | 121.0° | 120.0° |
| C10 | N | C15 | 116.1° | 119.9° |
| C10 | N | C14 | 119.7° | 120.3° |
| N | C10 | H21 | 109.5° | 109.3° |
| N | C10 | H22 | 109.6° | 109.3° |
| C05 | CA | C21 | 115.9° | 109.5° |
| C05 | CA | N04 | 115.7° | 109.5° |
| CA | C05 | C08 | 123.2° | 120.0° |
| C05 | CA | H16 | 107.0° | 109.4° |
| C21 | CA | N04 | 103.1° | 109.5° |
| CA | C21 | O06 | 120.5° | 120.0° |
| C21 | CA | H16 | 107.3° | 109.5° |
| CA | N04 | H5 | 121.0° | 120.0° |
| N04 | CA | H16 | 107.4° | 109.5° |
| C02 | C19 | S | 111.4° | 110.6° |
| C19 | C02 | H10 | 109.5° | 109.5° |
| C19 | C02 | H11 | 109.5° | 109.4° |
| C19 | C02 | H12 | 109.4° | 109.5° |
| C19 | S | C17 | 95.7° | 94.9° |
| C20 | C17 | S | 117.2° | 111.1° |
| C20 | C17 | H6 | 108.2° | 111.0° |
| C17 | C20 | H8 | 107.7° | 109.4° |
| C05 | C08 | C13 | 120.1° | 120.0° |
| C05 | C08 | H18 | 120.0° | 120.0° |
| N01 | C11 | O05 | 120.8° | 120.5° |
| N01 | C11 | C14 | 118.8° | 119.1° |
| C16 | C13 | C08 | 120.6° | 120.0° |
| C16 | C13 | H24 | 119.7° | 120.0° |
| C13 | C16 | H27 | 120.5° | 120.0° |
| S | C17 | H6 | 105.4° | 111.1° |
| C13 | C08 | H18 | 119.9° | 120.0° |
| C08 | C13 | H24 | 119.7° | 120.0° |
| C15 | N | C14 | 124.1° | 119.9° |
| N | C15 | C | 108.8° | 109.5° |
| N | C15 | H25 | 109.7° | 109.4° |
| N | C15 | H26 | 109.6° | 109.5° |
| N | C14 | C11 | 118.4° | 119.0° |
| N | C14 | O | 120.3° | 120.5° |
| O05 | C11 | C14 | 120.3° | 120.4° |
| C11 | C14 | O | 121.2° | 120.6° |
| C | C15 | H25 | 109.6° | 109.5° |
| C | C15 | H26 | 109.6° | 109.5° |
| C15 | C | H28 | 109.5° | 109.5° |
| C15 | C | H29 | 109.5° | 109.5° |
| C15 | C | H30 | 109.5° | 109.4° |
| H10 | C02 | H11 | 109.4° | 109.5° |
| H10 | C02 | H12 | 109.5° | 109.5° |
| H11 | C02 | H12 | 109.5° | 109.4° |
| H13 | C03 | H14 | 109.5° | 109.5° |
| H13 | C03 | H15 | 109.5° | 109.4° |
| H14 | C03 | H15 | 109.5° | 109.4° |
| H19 | C09 | H20 | 109.4° | 109.2° |
| H21 | C10 | H22 | 109.5° | 109.3° |
| H25 | C15 | H26 | 109.5° | 109.5° |
| H28 | C | H29 | 109.4° | 109.5° |
| H28 | C | H30 | 109.4° | 109.5° |
| H29 | C | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O03 | C04 | O02 | C18 | 179.6° | 180.0° |
| O03 | C04 | C18 | N02 | 165.7° | 18.6° |
| O03 | C04 | C18 | C19 | 74.9° | 104.8° |
| O03 | C04 | O02 | H1 | 0.0° | 0.0° |
| O03 | C04 | C18 | H7 | 45.1° | 136.9° |
| O01 | C01 | C20 | H9 | 180.0° | 180.0° |
| O01 | C01 | C20 | N03 | 10.5° | 0.0° |
| O01 | C01 | C20 | C17 | 118.0° | 120.0° |
| O01 | C01 | C20 | H8 | 125.1° | 120.1° |
| O02 | C04 | C18 | N02 | 13.9° | 161.5° |
| O02 | C04 | C18 | C19 | 105.5° | 75.1° |
| O02 | C04 | C18 | H7 | 134.5° | 43.1° |
| C04 | C18 | N02 | C19 | 124.7° | 120.9° |
| C04 | C18 | N02 | H7 | 120.1° | 118.2° |
| C04 | C18 | C19 | H7 | 120.5° | 118.2° |
| C04 | C18 | C19 | C03 | 76.4° | 124.4° |
| C04 | C18 | N02 | C17 | 177.6° | 89.0° |
| C04 | C18 | C19 | C02 | 47.1° | 1.4° |
| C04 | C18 | C19 | S | 165.4° | 117.0° |
| C18 | C04 | O02 | H1 | 179.6° | 180.0° |
| C04 | C18 | N02 | H2 | 57.5° | 34.8° |
| O04 | C06 | N01 | C09 | 3.6° | 174.4° |
| O04 | C06 | N01 | N04 | 178.5° | 180.0° |
| O04 | C06 | N04 | CA | 2.3° | 4.9° |
| O04 | C06 | N01 | C11 | 177.1° | 5.3° |
| O04 | C06 | N04 | H5 | 177.7° | 175.1° |
| C01 | C20 | C17 | N02 | 24.6° | 60.0° |
| C01 | C20 | N03 | C17 | 121.6° | 120.0° |
| C01 | C20 | N03 | H8 | 114.2° | 120.0° |
| C01 | C20 | N03 | C21 | 143.6° | 85.0° |
| C01 | C20 | C17 | H8 | 116.9° | 119.9° |
| C01 | C20 | C17 | S | 145.2° | 51.6° |
| C01 | C20 | N03 | H4 | 36.4° | 95.1° |
| C01 | C20 | C17 | H6 | 95.8° | 175.8° |
| N02 | C18 | C19 | H7 | 116.4° | 120.9° |
| N02 | C18 | C19 | C03 | 160.5° | 114.7° |
| C18 | N02 | C17 | H2 | 120.0° | 123.9° |
| N02 | C18 | C19 | C02 | 76.0° | 122.4° |
| N02 | C18 | C19 | S | 42.3° | 3.9° |
| C18 | N02 | C17 | C20 | 91.5° | 160.4° |
| C18 | N02 | C17 | S | 36.3° | 42.5° |
| C18 | N02 | C17 | H6 | 148.4° | 75.4° |
| C18 | C19 | C03 | C02 | 123.5° | 123.0° |
| C18 | C19 | C03 | S | 112.6° | 114.2° |
| C19 | C18 | N02 | C17 | 52.9° | 31.9° |
| C18 | C19 | C02 | S | 112.2° | 114.0° |
| C18 | C19 | S | C17 | 19.1° | 18.3° |
| C19 | C18 | N02 | H2 | 67.2° | 155.8° |
| C18 | C19 | C02 | H10 | 180.0° | 175.5° |
| C18 | C19 | C02 | H11 | 60.0° | 64.5° |
| C18 | C19 | C02 | H12 | 60.0° | 55.5° |
| C18 | C19 | C03 | H13 | 180.0° | 177.8° |
| C18 | C19 | C03 | H14 | 60.0° | 57.7° |
| C18 | C19 | C03 | H15 | 60.0° | 62.3° |
| C12 | C07 | C05 | H17 | 180.0° | 179.9° |
| C07 | C12 | C16 | H23 | 180.0° | 180.0° |
| C12 | C07 | C05 | CA | 180.0° | 180.0° |
| C12 | C07 | C05 | C08 | 0.2° | 0.3° |
| C07 | C12 | C16 | C13 | 0.1° | 0.2° |
| C07 | C12 | C16 | H27 | 179.9° | 180.0° |
| C05 | C07 | C12 | C16 | 0.3° | 0.0° |
| C07 | C05 | CA | C08 | 179.8° | 179.7° |
| C07 | C05 | CA | C21 | 74.4° | 80.3° |
| C07 | C05 | CA | N04 | 164.7° | 39.7° |
| C07 | C05 | C08 | C13 | 0.0° | 0.3° |
| C07 | C05 | CA | H16 | 45.1° | 159.8° |
| C07 | C05 | C08 | H18 | 180.0° | 179.8° |
| C05 | C07 | C12 | H23 | 179.7° | 180.0° |
| C12 | C16 | C13 | H27 | 180.0° | 179.8° |
| C12 | C16 | C13 | C08 | 0.2° | 0.2° |
| C16 | C12 | C07 | H17 | 179.7° | 180.0° |
| C12 | C16 | C13 | H24 | 179.8° | 179.7° |
| C10 | C09 | N01 | H19 | 119.8° | 120.3° |
| C10 | C09 | N01 | H20 | 119.8° | 120.3° |
| C10 | C09 | N01 | C06 | 149.4° | 142.2° |
| C09 | C10 | N | H21 | 119.9° | 120.2° |
| C09 | C10 | N | H22 | 120.0° | 120.3° |
| C10 | C09 | N01 | C11 | 31.4° | 37.5° |
| C09 | C10 | N | C15 | 144.7° | 142.2° |
| C09 | C10 | N | C14 | 38.0° | 37.2° |
| C10 | C09 | H19 | H20 | 120.8° | 119.4° |
| C09 | C10 | H21 | H22 | 120.2° | 119.5° |
| C09 | N01 | C06 | C11 | 179.3° | 179.7° |
| C09 | N01 | C06 | N04 | 177.9° | 5.6° |
| N01 | C09 | C10 | N | 48.1° | 51.6° |
| C09 | N01 | C11 | O05 | 178.5° | 174.3° |
| C09 | N01 | C11 | C14 | 3.0° | 5.7° |
| N01 | C09 | H19 | H20 | 120.8° | 119.5° |
| N01 | C09 | C10 | H21 | 71.8° | 68.7° |
| N01 | C09 | C10 | H22 | 168.1° | 171.8° |
| C03 | C19 | C02 | S | 123.5° | 122.9° |
| C03 | C19 | S | C17 | 138.2° | 137.0° |
| C03 | C19 | C18 | H7 | 44.1° | 6.2° |
| C03 | C19 | C02 | H10 | 55.6° | 61.4° |
| C03 | C19 | C02 | H11 | 64.4° | 58.6° |
| C03 | C19 | C02 | H12 | 175.6° | 178.6° |
| C19 | C03 | H13 | H14 | 120.0° | 120.1° |
| C19 | C03 | H13 | H15 | 120.0° | 120.0° |
| C19 | C03 | H14 | H15 | 120.0° | 119.9° |
| N02 | C17 | C20 | N03 | 93.8° | 180.0° |
| N02 | C17 | S | C19 | 7.7° | 34.6° |
| N02 | C17 | C20 | S | 120.6° | 111.5° |
| N02 | C17 | C20 | H6 | 120.4° | 124.3° |
| N02 | C17 | S | H6 | 114.6° | 117.9° |
| C17 | N02 | C18 | H7 | 62.4° | 152.8° |
| N02 | C17 | C20 | H8 | 141.6° | 60.0° |
| C20 | N03 | C21 | H4 | 180.0° | 180.0° |
| C20 | N03 | C21 | CA | 178.7° | 180.0° |
| N03 | C20 | C17 | H8 | 124.6° | 120.0° |
| C20 | N03 | C21 | O06 | 0.2° | 0.0° |
| N03 | C20 | C17 | S | 26.7° | 68.5° |
| N03 | C20 | C17 | H6 | 145.7° | 55.7° |
| N03 | C20 | C01 | H9 | 169.5° | 180.0° |
| N03 | C21 | CA | C05 | 93.9° | 60.0° |
| N03 | C21 | CA | O06 | 178.5° | 180.0° |
| N03 | C21 | CA | N04 | 138.7° | 180.0° |
| C21 | N03 | C20 | C17 | 94.8° | 155.0° |
| C21 | N03 | C20 | H8 | 29.4° | 35.0° |
| N03 | C21 | CA | H16 | 25.5° | 59.9° |
| N01 | C06 | N04 | CA | 176.2° | 175.1° |
| C06 | N01 | C11 | O05 | 0.7° | 6.0° |
| C06 | N01 | C11 | C14 | 176.2° | 174.0° |
| N01 | C06 | N04 | H5 | 3.8° | 5.0° |
| C06 | N01 | C09 | H19 | 90.9° | 97.5° |
| C06 | N01 | C09 | H20 | 29.6° | 21.9° |
| C06 | N04 | CA | C05 | 89.3° | 85.0° |
| C06 | N04 | CA | C21 | 143.1° | 155.0° |
| C06 | N04 | CA | H5 | 180.0° | 180.0° |
| N04 | C06 | N01 | C11 | 1.4° | 174.7° |
| C06 | N04 | CA | H16 | 30.0° | 34.9° |
| C10 | N | C15 | C14 | 177.1° | 179.5° |
| C10 | N | C14 | C11 | 4.3° | 5.5° |
| C10 | N | C15 | C | 77.2° | 89.5° |
| C10 | N | C14 | O | 179.4° | 174.0° |
| N | C10 | C09 | H19 | 71.6° | 68.8° |
| N | C10 | C09 | H20 | 167.9° | 171.8° |
| N | C10 | H21 | H22 | 120.2° | 119.5° |
| C10 | N | C15 | H25 | 42.7° | 30.5° |
| C10 | N | C15 | H26 | 162.9° | 150.5° |
| C05 | CA | C21 | N04 | 127.5° | 120.0° |
| C05 | CA | C21 | H16 | 119.4° | 119.9° |
| C05 | CA | N04 | H16 | 119.3° | 120.0° |
| C05 | CA | C21 | O06 | 87.6° | 120.0° |
| CA | C05 | C08 | C13 | 179.7° | 180.0° |
| C05 | CA | N04 | H5 | 90.7° | 95.0° |
| CA | C05 | C07 | H17 | 0.0° | 0.0° |
| CA | C05 | C08 | H18 | 0.3° | 0.0° |
| C21 | CA | N04 | H16 | 113.1° | 120.1° |
| C21 | CA | C05 | C08 | 105.8° | 100.0° |
| CA | C21 | N03 | H4 | 1.3° | 0.0° |
| C21 | CA | N04 | H5 | 36.9° | 25.0° |
| N04 | CA | C05 | C08 | 15.1° | 140.0° |
| N04 | CA | C21 | O06 | 39.9° | 0.0° |
| C02 | C19 | S | C17 | 98.5° | 100.2° |
| C02 | C19 | C18 | H7 | 167.6° | 116.7° |
| C19 | C02 | H10 | H11 | 120.0° | 120.0° |
| C19 | C02 | H10 | H12 | 120.0° | 120.0° |
| C19 | C02 | H11 | H12 | 120.0° | 120.0° |
| C02 | C19 | C03 | H13 | 56.5° | 59.2° |
| C02 | C19 | C03 | H14 | 176.5° | 179.3° |
| C02 | C19 | C03 | H15 | 63.5° | 60.7° |
| C19 | S | C17 | C20 | 117.3° | 152.5° |
| C19 | S | C17 | H6 | 122.3° | 83.3° |
| S | C19 | C18 | H7 | 74.1° | 124.8° |
| S | C19 | C02 | H10 | 67.9° | 61.5° |
| S | C19 | C02 | H11 | 172.2° | 178.5° |
| S | C19 | C02 | H12 | 52.1° | 58.6° |
| S | C19 | C03 | H13 | 67.4° | 63.6° |
| S | C19 | C03 | H14 | 52.6° | 56.5° |
| S | C19 | C03 | H15 | 172.6° | 176.4° |
| C20 | C17 | S | H6 | 120.5° | 124.1° |
| C20 | C17 | N02 | H2 | 148.4° | 75.7° |
| C17 | C20 | N03 | H4 | 85.2° | 25.0° |
| C17 | C20 | C01 | H9 | 62.0° | 59.9° |
| C05 | C08 | C13 | C16 | 0.2° | 0.1° |
| C05 | C08 | C13 | H18 | 180.0° | 179.9° |
| C08 | C05 | CA | H16 | 134.6° | 20.0° |
| C08 | C05 | C07 | H17 | 179.8° | 179.8° |
| C05 | C08 | C13 | H24 | 179.8° | 180.0° |
| N01 | C11 | C14 | N | 18.7° | 12.3° |
| N01 | C11 | O05 | C14 | 175.5° | 180.0° |
| N01 | C11 | C14 | O | 156.3° | 168.2° |
| C11 | N01 | C09 | H19 | 88.3° | 82.8° |
| C11 | N01 | C09 | H20 | 151.2° | 157.8° |
| C16 | C13 | C08 | H24 | 180.0° | 179.9° |
| C16 | C13 | C08 | H18 | 179.8° | 180.0° |
| C13 | C16 | C12 | H23 | 179.9° | 179.8° |
| O06 | C21 | N03 | H4 | 179.8° | 180.0° |
| O06 | C21 | CA | H16 | 153.0° | 120.1° |
| S | C17 | N02 | H2 | 83.7° | 166.4° |
| S | C17 | C20 | H8 | 97.8° | 171.5° |
| C08 | C13 | C16 | H27 | 179.9° | 180.0° |
| C15 | N | C14 | C11 | 178.6° | 174.0° |
| N | C15 | C | H25 | 119.9° | 119.9° |
| N | C15 | C | H26 | 119.9° | 120.0° |
| C15 | N | C14 | O | 3.6° | 6.5° |
| C15 | N | C10 | H21 | 95.3° | 97.5° |
| C15 | N | C10 | H22 | 24.8° | 22.0° |
| N | C15 | H25 | H26 | 120.3° | 120.0° |
| N | C15 | C | H28 | 180.0° | 60.0° |
| N | C15 | C | H29 | 60.0° | 60.0° |
| N | C15 | C | H30 | 60.0° | 180.0° |
| N | C14 | C11 | O05 | 165.8° | 167.7° |
| N | C14 | C11 | O | 175.0° | 179.5° |
| C14 | N | C15 | C | 99.9° | 90.0° |
| C14 | N | C10 | H21 | 81.9° | 83.0° |
| C14 | N | C10 | H22 | 157.9° | 157.5° |
| C14 | N | C15 | H25 | 140.2° | 150.0° |
| C14 | N | C15 | H26 | 20.0° | 30.0° |
| O05 | C11 | C14 | O | 19.2° | 11.8° |
| C | C15 | H25 | H26 | 120.3° | 120.0° |
| C15 | C | H28 | H29 | 120.0° | 120.0° |
| C15 | C | H28 | H30 | 120.0° | 120.0° |
| C15 | C | H29 | H30 | 120.0° | 119.9° |
| H2 | N02 | C17 | H6 | 28.4° | 48.5° |
| H2 | N02 | C18 | H7 | 177.6° | 83.4° |
| H4 | N03 | C20 | H8 | 150.6° | 145.0° |
| H5 | N04 | CA | H16 | 150.0° | 145.0° |
| H6 | C17 | C20 | H8 | 21.2° | 64.3° |
| H8 | C20 | C01 | H9 | 54.9° | 60.0° |
| H10 | C02 | H11 | H12 | 120.0° | 120.0° |
| H13 | C03 | H14 | H15 | 120.0° | 120.0° |
| H17 | C07 | C12 | H23 | 0.3° | 0.1° |
| H18 | C08 | C13 | H24 | 0.2° | 0.1° |
| H19 | C09 | C10 | H21 | 168.4° | 171.0° |
| H19 | C09 | C10 | H22 | 48.3° | 51.5° |
| H20 | C09 | C10 | H21 | 47.9° | 51.6° |
| H20 | C09 | C10 | H22 | 72.2° | 67.9° |
| H23 | C12 | C16 | H27 | 0.1° | 0.1° |
| H24 | C13 | C16 | H27 | 0.2° | 0.1° |
| H25 | C15 | C | H28 | 60.1° | 179.9° |
| H25 | C15 | C | H29 | 179.9° | 59.9° |
| H25 | C15 | C | H30 | 59.9° | 60.0° |
| H26 | C15 | C | H28 | 60.1° | 60.0° |
| H26 | C15 | C | H29 | 59.9° | 180.0° |
| H26 | C15 | C | H30 | 179.9° | 60.0° |
| H28 | C | H29 | H30 | 120.0° | 120.1° |
