R1V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O17 | C16 | doub | 1.21Å | 1.26Å | |
| O18 | C16 | sing | 1.34Å | 1.25Å | |
| C16 | C15 | sing | 1.51Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | C10 | sing | 1.53Å | 1.53Å | |
| O12 | C11 | doub | 1.21Å | 1.26Å | |
| C11 | O13 | sing | 1.34Å | 1.26Å | |
| C11 | C10 | sing | 1.51Å | 1.53Å | |
| C10 | N09 | sing | 1.47Å | 1.45Å | |
| N09 | C08 | sing | 1.47Å | 1.45Å | |
| C08 | C07 | sing | 1.51Å | 1.53Å | |
| C07 | C06 | doub | 1.31Å | 1.32Å | |
| C06 | C19 | sing | 1.51Å | 1.53Å | |
| C06 | C05 | sing | 1.51Å | 1.53Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C04 | C03 | sing | 1.51Å | 1.53Å | |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| C03 | C02 | doub | 1.31Å | 1.32Å | |
| C02 | C20 | sing | 1.51Å | 1.53Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.08Å | 1.08Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.08Å | 1.08Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| N09 | H23 | sing | 1.01Å | 1.00Å | |
| O13 | H25 | sing | 0.97Å | 0.95Å | |
| O18 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O17 | C16 | O18 | 120.1° | 120.0° |
| O17 | C16 | C15 | 120.2° | 120.0° |
| O18 | C16 | C15 | 119.7° | 120.0° |
| C16 | O18 | H26 | 109.5° | 117.0° |
| C16 | C15 | C14 | 112.4° | 109.5° |
| C16 | C15 | H15 | 108.7° | 109.5° |
| C16 | C15 | H16 | 108.7° | 109.5° |
| C15 | C14 | C10 | 109.8° | 109.5° |
| C15 | C14 | H13 | 109.4° | 109.5° |
| C15 | C14 | H14 | 109.4° | 109.4° |
| C14 | C15 | H15 | 108.8° | 109.5° |
| C14 | C15 | H16 | 108.7° | 109.5° |
| C14 | C10 | C11 | 112.5° | 109.5° |
| C14 | C10 | N09 | 109.0° | 109.4° |
| C14 | C10 | H12 | 108.0° | 109.5° |
| C10 | C14 | H13 | 109.4° | 109.5° |
| C10 | C14 | H14 | 109.4° | 109.4° |
| O12 | C11 | O13 | 120.2° | 120.0° |
| O12 | C11 | C10 | 120.0° | 120.0° |
| O13 | C11 | C10 | 119.8° | 120.0° |
| C11 | O13 | H25 | 109.5° | 117.0° |
| C11 | C10 | N09 | 110.3° | 109.5° |
| C11 | C10 | H12 | 108.0° | 109.5° |
| C10 | N09 | C08 | 108.3° | 111.0° |
| N09 | C10 | H12 | 109.0° | 109.4° |
| C10 | N09 | H23 | 109.7° | 111.0° |
| N09 | C08 | C07 | 110.5° | 109.5° |
| N09 | C08 | H10 | 109.2° | 109.5° |
| N09 | C08 | H11 | 109.2° | 109.4° |
| C08 | N09 | H23 | 109.8° | 111.0° |
| C08 | C07 | C06 | 119.5° | 120.0° |
| C08 | C07 | H9 | 120.3° | 120.0° |
| C07 | C08 | H10 | 109.2° | 109.5° |
| C07 | C08 | H11 | 109.2° | 109.5° |
| C07 | C06 | C19 | 120.2° | 120.0° |
| C07 | C06 | C05 | 120.2° | 120.0° |
| C06 | C07 | H9 | 120.3° | 120.0° |
| C19 | C06 | C05 | 119.6° | 120.0° |
| C06 | C19 | H17 | 109.5° | 109.5° |
| C06 | C19 | H18 | 109.5° | 109.5° |
| C06 | C19 | H19 | 109.5° | 109.5° |
| C06 | C05 | C04 | 111.2° | 109.5° |
| C06 | C05 | H7 | 109.0° | 109.5° |
| C06 | C05 | H8 | 109.0° | 109.5° |
| C05 | C04 | C03 | 112.6° | 109.5° |
| C05 | C04 | H5 | 108.7° | 109.5° |
| C05 | C04 | H6 | 108.7° | 109.5° |
| C04 | C05 | H7 | 109.1° | 109.4° |
| C04 | C05 | H8 | 109.0° | 109.5° |
| C04 | C03 | C02 | 121.3° | 120.0° |
| C04 | C03 | H4 | 119.3° | 120.0° |
| C03 | C04 | H5 | 108.7° | 109.5° |
| C03 | C04 | H6 | 108.7° | 109.5° |
| C01 | C02 | C03 | 120.8° | 120.0° |
| C01 | C02 | C20 | 120.3° | 120.0° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.4° |
| C03 | C02 | C20 | 118.9° | 120.0° |
| C02 | C03 | H4 | 119.3° | 120.0° |
| C02 | C20 | H20 | 109.5° | 109.4° |
| C02 | C20 | H21 | 109.5° | 109.5° |
| C02 | C20 | H22 | 109.5° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H5 | C04 | H6 | 109.5° | 109.5° |
| H7 | C05 | H8 | 109.5° | 109.5° |
| H10 | C08 | H11 | 109.5° | 109.4° |
| H13 | C14 | H14 | 109.5° | 109.5° |
| H15 | C15 | H16 | 109.5° | 109.5° |
| H17 | C19 | H18 | 109.5° | 109.5° |
| H17 | C19 | H19 | 109.5° | 109.5° |
| H18 | C19 | H19 | 109.4° | 109.4° |
| H20 | C20 | H21 | 109.5° | 109.4° |
| H20 | C20 | H22 | 109.5° | 109.5° |
| H21 | C20 | H22 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | C16 | O18 | C15 | 179.8° | 180.0° |
| O17 | C16 | C15 | C14 | 25.6° | 0.0° |
| O17 | C16 | C15 | H15 | 94.9° | 120.0° |
| O17 | C16 | C15 | H16 | 146.0° | 120.0° |
| O17 | C16 | O18 | H26 | 0.0° | 0.0° |
| O18 | C16 | C15 | C14 | 154.7° | 180.0° |
| O18 | C16 | C15 | H15 | 84.9° | 60.0° |
| O18 | C16 | C15 | H16 | 34.2° | 60.0° |
| C16 | C15 | C14 | H15 | 120.4° | 120.0° |
| C16 | C15 | C14 | H16 | 120.4° | 120.0° |
| C16 | C15 | C14 | C10 | 159.0° | 180.0° |
| C16 | C15 | C14 | H13 | 80.9° | 60.0° |
| C16 | C15 | C14 | H14 | 39.0° | 60.0° |
| C16 | C15 | H15 | H16 | 118.7° | 120.0° |
| C15 | C16 | O18 | H26 | 179.8° | 180.0° |
| C15 | C14 | C10 | H13 | 120.0° | 120.1° |
| C15 | C14 | C10 | H14 | 120.1° | 119.9° |
| C15 | C14 | C10 | C11 | 161.9° | 175.0° |
| C15 | C14 | C10 | N09 | 39.3° | 65.0° |
| C15 | C14 | C10 | H12 | 78.9° | 55.0° |
| C15 | C14 | H13 | H14 | 119.9° | 120.0° |
| C14 | C15 | H15 | H16 | 118.7° | 120.0° |
| C14 | C10 | C11 | O12 | 65.7° | 120.0° |
| C14 | C10 | C11 | O13 | 114.2° | 60.0° |
| C14 | C10 | C11 | N09 | 121.9° | 120.0° |
| C14 | C10 | C11 | H12 | 119.1° | 120.0° |
| C14 | C10 | N09 | H12 | 117.6° | 120.0° |
| C14 | C10 | N09 | C08 | 149.1° | 155.0° |
| C10 | C14 | H13 | H14 | 119.9° | 120.0° |
| C10 | C14 | C15 | H15 | 38.6° | 60.0° |
| C10 | C14 | C15 | H16 | 80.5° | 60.0° |
| C14 | C10 | N09 | H23 | 91.0° | 81.1° |
| O12 | C11 | O13 | C10 | 179.9° | 180.0° |
| O12 | C11 | C10 | N09 | 56.1° | 0.0° |
| O12 | C11 | C10 | H12 | 175.2° | 120.0° |
| O12 | C11 | O13 | H25 | 0.0° | 0.0° |
| O13 | C11 | C10 | N09 | 124.0° | 180.0° |
| O13 | C11 | C10 | H12 | 5.0° | 60.0° |
| C11 | C10 | N09 | H12 | 118.4° | 120.0° |
| C11 | C10 | N09 | C08 | 86.9° | 85.0° |
| C11 | C10 | C14 | H13 | 78.0° | 65.0° |
| C11 | C10 | C14 | H14 | 41.9° | 55.0° |
| C11 | C10 | N09 | H23 | 32.9° | 38.9° |
| C10 | C11 | O13 | H25 | 179.9° | 179.9° |
| C10 | N09 | C08 | H23 | 119.8° | 123.9° |
| C10 | N09 | C08 | C07 | 120.5° | 180.0° |
| C10 | N09 | C08 | H10 | 0.3° | 60.0° |
| C10 | N09 | C08 | H11 | 119.4° | 60.0° |
| N09 | C10 | C14 | H13 | 159.4° | 55.0° |
| N09 | C10 | C14 | H14 | 80.7° | 175.0° |
| N09 | C08 | C07 | H10 | 120.1° | 120.0° |
| N09 | C08 | C07 | H11 | 120.2° | 120.0° |
| N09 | C08 | C07 | C06 | 148.3° | 126.4° |
| N09 | C08 | C07 | H9 | 31.7° | 53.5° |
| N09 | C08 | H10 | H11 | 119.5° | 120.0° |
| C08 | N09 | C10 | H12 | 31.5° | 35.0° |
| C08 | C07 | C06 | H9 | 180.0° | 180.0° |
| C08 | C07 | C06 | C19 | 0.6° | 5.8° |
| C08 | C07 | C06 | C05 | 179.7° | 174.2° |
| C07 | C08 | H10 | H11 | 119.5° | 120.0° |
| C07 | C08 | N09 | H23 | 119.7° | 56.1° |
| C07 | C06 | C19 | C05 | 179.7° | 180.0° |
| C07 | C06 | C05 | C04 | 89.3° | 95.0° |
| C07 | C06 | C05 | H7 | 31.0° | 25.0° |
| C07 | C06 | C05 | H8 | 150.5° | 145.0° |
| C06 | C07 | C08 | H10 | 28.2° | 113.5° |
| C06 | C07 | C08 | H11 | 91.5° | 6.4° |
| C07 | C06 | C19 | H17 | 180.0° | 84.6° |
| C07 | C06 | C19 | H18 | 60.0° | 35.5° |
| C07 | C06 | C19 | H19 | 60.0° | 155.4° |
| C19 | C06 | C05 | C04 | 91.0° | 85.0° |
| C19 | C06 | C05 | H7 | 148.7° | 155.0° |
| C19 | C06 | C05 | H8 | 29.2° | 35.0° |
| C19 | C06 | C07 | H9 | 179.4° | 174.2° |
| C06 | C19 | H17 | H18 | 120.0° | 120.0° |
| C06 | C19 | H17 | H19 | 120.0° | 120.0° |
| C06 | C19 | H18 | H19 | 120.0° | 120.0° |
| C06 | C05 | C04 | H7 | 120.3° | 120.0° |
| C06 | C05 | C04 | H8 | 120.2° | 120.0° |
| C06 | C05 | C04 | C03 | 154.9° | 180.0° |
| C06 | C05 | C04 | H5 | 34.4° | 60.0° |
| C06 | C05 | C04 | H6 | 84.7° | 60.0° |
| C06 | C05 | H7 | H8 | 119.2° | 120.0° |
| C05 | C06 | C07 | H9 | 0.3° | 5.8° |
| C05 | C06 | C19 | H17 | 0.3° | 95.4° |
| C05 | C06 | C19 | H18 | 119.7° | 144.5° |
| C05 | C06 | C19 | H19 | 120.3° | 24.6° |
| C05 | C04 | C03 | H5 | 120.4° | 120.0° |
| C05 | C04 | C03 | H6 | 120.5° | 120.0° |
| C05 | C04 | C03 | C02 | 90.6° | 124.3° |
| C05 | C04 | C03 | H4 | 89.4° | 55.7° |
| C05 | C04 | H5 | H6 | 118.6° | 120.0° |
| C04 | C05 | H7 | H8 | 119.2° | 120.0° |
| C04 | C03 | C02 | C01 | 0.5° | 174.0° |
| C04 | C03 | C02 | H4 | 180.0° | 180.0° |
| C04 | C03 | C02 | C20 | 179.9° | 6.0° |
| C03 | C04 | H5 | H6 | 118.6° | 120.0° |
| C03 | C04 | C05 | H7 | 84.9° | 60.0° |
| C03 | C04 | C05 | H8 | 34.6° | 60.0° |
| C01 | C02 | C03 | C20 | 179.6° | 180.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.1° |
| C02 | C01 | H1 | H3 | 120.0° | 119.9° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C03 | H4 | 179.6° | 6.0° |
| C01 | C02 | C20 | H20 | 180.0° | 95.4° |
| C01 | C02 | C20 | H21 | 60.0° | 144.6° |
| C01 | C02 | C20 | H22 | 60.0° | 24.6° |
| C03 | C02 | C01 | H1 | 180.0° | 90.0° |
| C03 | C02 | C01 | H2 | 60.0° | 30.0° |
| C03 | C02 | C01 | H3 | 60.0° | 150.0° |
| C02 | C03 | C04 | H5 | 148.9° | 115.6° |
| C02 | C03 | C04 | H6 | 29.9° | 4.4° |
| C03 | C02 | C20 | H20 | 0.4° | 84.6° |
| C03 | C02 | C20 | H21 | 120.4° | 35.4° |
| C03 | C02 | C20 | H22 | 119.7° | 155.4° |
| C20 | C02 | C01 | H1 | 0.4° | 90.0° |
| C20 | C02 | C01 | H2 | 120.3° | 150.0° |
| C20 | C02 | C01 | H3 | 119.6° | 30.0° |
| C20 | C02 | C03 | H4 | 0.1° | 174.0° |
| C02 | C20 | H20 | H21 | 120.0° | 120.0° |
| C02 | C20 | H20 | H22 | 120.0° | 120.0° |
| C02 | C20 | H21 | H22 | 120.0° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C03 | C04 | H5 | 31.1° | 64.3° |
| H4 | C03 | C04 | H6 | 150.1° | 175.7° |
| H5 | C04 | C05 | H7 | 154.7° | 180.0° |
| H5 | C04 | C05 | H8 | 85.8° | 60.0° |
| H6 | C04 | C05 | H7 | 35.6° | 60.0° |
| H6 | C04 | C05 | H8 | 155.1° | 180.0° |
| H9 | C07 | C08 | H10 | 151.8° | 66.5° |
| H9 | C07 | C08 | H11 | 88.5° | 173.5° |
| H10 | C08 | N09 | H23 | 120.1° | 63.9° |
| H11 | C08 | N09 | H23 | 0.4° | 176.1° |
| H12 | C10 | C14 | H13 | 41.1° | 175.0° |
| H12 | C10 | C14 | H14 | 161.0° | 65.0° |
| H12 | C10 | N09 | H23 | 151.3° | 159.0° |
| H13 | C14 | C15 | H15 | 158.6° | 180.0° |
| H13 | C14 | C15 | H16 | 39.5° | 60.0° |
| H14 | C14 | C15 | H15 | 81.5° | 59.9° |
| H14 | C14 | C15 | H16 | 159.4° | 180.0° |
| H17 | C19 | H18 | H19 | 120.0° | 120.0° |
| H20 | C20 | H21 | H22 | 120.0° | 120.0° |
