R2V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N03 | C04 | doub | 1.32Å | 1.37Å | Aromatic |
| N03 | C02 | sing | 1.33Å | 1.38Å | Aromatic |
| C04 | N05 | sing | 1.32Å | 1.35Å | Aromatic |
| N01 | C02 | sing | 1.38Å | 1.39Å | |
| C02 | C07 | doub | 1.41Å | 1.43Å | Aromatic |
| N05 | C06 | doub | 1.33Å | 1.38Å | Aromatic |
| C07 | C06 | sing | 1.41Å | 1.42Å | Aromatic |
| C07 | N08 | sing | 1.35Å | 1.41Å | Aromatic |
| C06 | N10 | sing | 1.37Å | 1.40Å | Aromatic |
| N08 | C09 | doub | 1.30Å | 1.35Å | Aromatic |
| N10 | C09 | sing | 1.36Å | 1.45Å | Aromatic |
| N10 | C11 | sing | 1.46Å | 1.47Å | |
| C11 | O12 | sing | 1.44Å | 1.41Å | |
| C11 | C32 | sing | 1.55Å | 1.56Å | |
| O33 | C32 | sing | 1.43Å | 1.40Å | |
| O12 | C13 | sing | 1.44Å | 1.43Å | |
| C32 | C30 | sing | 1.55Å | 1.54Å | |
| O27 | C26 | sing | 1.36Å | 1.37Å | |
| O21 | C20 | doub | 1.22Å | 1.17Å | |
| C28 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C30 | sing | 1.55Å | 1.56Å | |
| C13 | C14 | sing | 1.53Å | 1.56Å | |
| C30 | O31 | sing | 1.43Å | 1.39Å | |
| C26 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| N15 | C14 | sing | 1.46Å | 1.49Å | |
| N15 | S16 | sing | 1.66Å | 1.68Å | |
| C20 | C22 | sing | 1.48Å | 1.56Å | |
| C20 | N19 | sing | 1.35Å | 1.48Å | |
| O18 | S16 | doub | 1.42Å | 1.41Å | |
| C22 | C23 | doub | 1.40Å | 1.42Å | Aromatic |
| S16 | N19 | sing | 1.66Å | 1.73Å | |
| S16 | O17 | doub | 1.42Å | 1.41Å | |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C04 | H1 | sing | 1.08Å | 1.08Å | |
| C09 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C23 | H6 | sing | 1.08Å | 1.08Å | |
| C24 | H7 | sing | 1.08Å | 1.08Å | |
| C25 | H8 | sing | 1.08Å | 1.08Å | |
| C28 | H9 | sing | 1.08Å | 1.08Å | |
| C30 | H10 | sing | 1.09Å | 1.10Å | |
| C32 | H11 | sing | 1.09Å | 1.10Å | |
| N01 | H12 | sing | 0.97Å | 1.00Å | |
| N01 | H13 | sing | 0.97Å | 1.00Å | |
| N19 | H14 | sing | 0.97Å | 1.00Å | |
| O27 | H15 | sing | 0.97Å | 0.95Å | |
| O31 | H16 | sing | 0.97Å | 0.95Å | |
| O33 | H17 | sing | 0.97Å | 0.95Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| N15 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | N03 | C02 | 117.4° | 121.2° |
| N03 | C04 | N05 | 129.7° | 122.5° |
| N03 | C04 | H1 | 115.1° | 118.8° |
| N03 | C02 | N01 | 115.5° | 120.7° |
| N03 | C02 | C07 | 119.0° | 118.5° |
| C04 | N05 | C06 | 111.6° | 120.7° |
| N05 | C04 | H1 | 115.1° | 118.7° |
| N01 | C02 | C07 | 125.5° | 120.8° |
| C02 | N01 | H12 | 109.5° | 119.9° |
| C02 | N01 | H13 | 109.5° | 120.0° |
| C02 | C07 | C06 | 117.3° | 118.1° |
| C02 | C07 | N08 | 134.2° | 134.7° |
| N05 | C06 | C07 | 125.0° | 119.1° |
| N05 | C06 | N10 | 126.2° | 134.9° |
| C06 | C07 | N08 | 108.5° | 107.2° |
| C07 | C06 | N10 | 108.8° | 106.0° |
| C07 | N08 | C09 | 106.3° | 109.4° |
| C06 | N10 | C09 | 104.2° | 107.4° |
| C06 | N10 | C11 | 131.6° | 126.3° |
| N08 | C09 | N10 | 112.3° | 110.0° |
| N08 | C09 | H2 | 123.9° | 125.0° |
| C09 | N10 | C11 | 124.2° | 126.3° |
| N10 | C09 | H2 | 123.8° | 125.0° |
| N10 | C11 | O12 | 111.7° | 110.4° |
| N10 | C11 | C32 | 107.9° | 110.4° |
| N10 | C11 | H3 | 110.2° | 110.4° |
| O12 | C11 | C32 | 106.8° | 104.8° |
| C11 | O12 | C13 | 112.9° | 105.3° |
| O12 | C11 | H3 | 111.0° | 110.3° |
| C11 | C32 | O33 | 106.4° | 110.5° |
| C11 | C32 | C30 | 99.5° | 104.1° |
| C32 | C11 | H3 | 109.0° | 110.5° |
| C11 | C32 | H11 | 111.5° | 110.5° |
| O33 | C32 | C30 | 112.5° | 110.5° |
| O33 | C32 | H11 | 114.2° | 110.6° |
| C32 | O33 | H17 | 109.5° | 114.0° |
| O12 | C13 | C30 | 100.9° | 104.8° |
| O12 | C13 | C14 | 109.6° | 110.4° |
| O12 | C13 | H4 | 110.1° | 110.5° |
| C32 | C30 | C13 | 102.8° | 104.1° |
| C32 | C30 | O31 | 110.2° | 110.5° |
| C32 | C30 | H10 | 110.6° | 110.6° |
| C30 | C32 | H11 | 111.7° | 110.5° |
| O27 | C26 | C28 | 120.3° | 120.0° |
| O27 | C26 | C25 | 118.7° | 119.9° |
| C26 | O27 | H15 | 109.5° | 114.0° |
| O21 | C20 | C22 | 122.1° | 120.0° |
| O21 | C20 | N19 | 118.2° | 120.0° |
| C26 | C28 | C22 | 122.0° | 119.8° |
| C28 | C26 | C25 | 121.0° | 120.1° |
| C26 | C28 | H9 | 119.0° | 120.1° |
| C28 | C22 | C20 | 124.5° | 120.1° |
| C28 | C22 | C23 | 116.7° | 119.8° |
| C22 | C28 | H9 | 119.0° | 120.2° |
| C30 | C13 | C14 | 119.3° | 110.3° |
| C13 | C30 | O31 | 109.4° | 110.5° |
| C30 | C13 | H4 | 108.3° | 110.4° |
| C13 | C30 | H10 | 110.3° | 110.5° |
| C13 | C14 | N15 | 119.7° | 109.5° |
| C14 | C13 | H4 | 108.3° | 110.3° |
| C13 | C14 | H5 | 106.9° | 109.5° |
| C13 | C14 | H18 | 106.9° | 109.5° |
| O31 | C30 | H10 | 113.1° | 110.5° |
| C30 | O31 | H16 | 109.5° | 114.0° |
| C26 | C25 | C24 | 117.3° | 120.2° |
| C26 | C25 | H8 | 121.4° | 119.9° |
| C14 | N15 | S16 | 126.5° | 120.0° |
| N15 | C14 | H5 | 106.8° | 109.5° |
| N15 | C14 | H18 | 106.9° | 109.5° |
| C14 | N15 | H19 | 105.1° | 120.0° |
| N15 | S16 | O18 | 109.0° | 106.4° |
| N15 | S16 | N19 | 106.7° | 107.2° |
| N15 | S16 | O17 | 105.7° | 106.4° |
| S16 | N15 | H19 | 105.1° | 120.0° |
| C22 | C20 | N19 | 119.7° | 119.9° |
| C20 | C22 | C23 | 118.8° | 120.1° |
| C20 | N19 | S16 | 125.1° | 120.0° |
| C20 | N19 | H14 | 117.5° | 120.0° |
| O18 | S16 | N19 | 104.4° | 106.4° |
| O18 | S16 | O17 | 119.3° | 123.1° |
| C22 | C23 | C24 | 120.8° | 120.0° |
| C22 | C23 | H6 | 119.6° | 120.0° |
| N19 | S16 | O17 | 111.1° | 106.4° |
| S16 | N19 | H14 | 117.5° | 120.0° |
| C25 | C24 | C23 | 122.1° | 120.2° |
| C25 | C24 | H7 | 118.9° | 119.9° |
| C24 | C25 | H8 | 121.4° | 119.9° |
| C24 | C23 | H6 | 119.6° | 120.0° |
| C23 | C24 | H7 | 119.0° | 119.9° |
| H5 | C14 | H18 | 109.5° | 109.4° |
| H12 | N01 | H13 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N03 | C04 | N05 | H1 | 180.0° | 180.0° |
| C04 | N03 | C02 | N01 | 179.9° | 180.0° |
| C04 | N03 | C02 | C07 | 0.1° | 0.0° |
| N03 | C04 | N05 | C06 | 0.2° | 0.1° |
| C02 | N03 | C04 | N05 | 0.1° | 0.0° |
| N03 | C02 | N01 | C07 | 180.0° | 180.0° |
| N03 | C02 | C07 | C06 | 0.0° | 0.0° |
| N03 | C02 | C07 | N08 | 180.0° | 180.0° |
| C02 | N03 | C04 | H1 | 179.8° | 180.0° |
| N03 | C02 | N01 | H12 | 0.0° | 179.9° |
| N03 | C02 | N01 | H13 | 120.0° | 0.0° |
| C04 | N05 | C06 | C07 | 0.2° | 0.0° |
| C04 | N05 | C06 | N10 | 179.9° | 179.9° |
| N01 | C02 | C07 | C06 | 179.9° | 180.0° |
| N01 | C02 | C07 | N08 | 0.0° | 0.0° |
| C02 | N01 | H12 | H13 | 120.0° | 179.9° |
| C02 | C07 | C06 | N05 | 0.1° | 0.0° |
| C02 | C07 | C06 | N08 | 180.0° | 180.0° |
| C02 | C07 | C06 | N10 | 179.9° | 180.0° |
| C02 | C07 | N08 | C09 | 180.0° | 180.0° |
| C07 | C02 | N01 | H12 | 180.0° | 0.1° |
| C07 | C02 | N01 | H13 | 60.0° | 179.9° |
| N05 | C06 | C07 | N10 | 179.8° | 180.0° |
| N05 | C06 | C07 | N08 | 179.9° | 180.0° |
| N05 | C06 | N10 | C09 | 180.0° | 180.0° |
| N05 | C06 | N10 | C11 | 0.4° | 0.3° |
| C06 | N05 | C04 | H1 | 179.8° | 180.0° |
| C06 | C07 | N08 | C09 | 0.0° | 0.0° |
| C07 | C06 | N10 | C09 | 0.2° | 0.0° |
| C07 | C06 | N10 | C11 | 179.9° | 179.7° |
| N08 | C07 | C06 | N10 | 0.2° | 0.0° |
| C07 | N08 | C09 | N10 | 0.1° | 0.0° |
| C07 | N08 | C09 | H2 | 179.9° | 179.7° |
| C06 | N10 | C09 | N08 | 0.2° | 0.0° |
| C06 | N10 | C09 | C11 | 179.7° | 179.7° |
| C06 | N10 | C11 | O12 | 166.8° | 156.1° |
| C06 | N10 | C11 | C32 | 76.1° | 88.5° |
| C06 | N10 | C09 | H2 | 179.8° | 179.7° |
| C06 | N10 | C11 | H3 | 42.8° | 33.9° |
| N08 | C09 | N10 | H2 | 180.0° | 179.7° |
| N08 | C09 | N10 | C11 | 179.9° | 179.7° |
| C09 | N10 | C11 | O12 | 13.7° | 23.5° |
| C09 | N10 | C11 | C32 | 103.5° | 91.9° |
| C09 | N10 | C11 | H3 | 137.6° | 145.7° |
| N10 | C11 | O12 | C32 | 117.8° | 118.8° |
| N10 | C11 | O12 | H3 | 123.5° | 122.3° |
| N10 | C11 | C32 | H3 | 119.7° | 122.3° |
| N10 | C11 | C32 | O33 | 146.7° | 98.6° |
| N10 | C11 | O12 | C13 | 118.7° | 159.3° |
| N10 | C11 | C32 | C30 | 96.3° | 142.8° |
| C11 | N10 | C09 | H2 | 0.1° | 0.0° |
| N10 | C11 | C32 | H11 | 21.7° | 24.1° |
| O12 | C11 | C32 | H3 | 120.0° | 118.8° |
| O12 | C11 | C32 | O33 | 93.0° | 142.6° |
| O12 | C11 | C32 | C30 | 24.0° | 24.0° |
| C11 | O12 | C13 | C30 | 25.3° | 40.5° |
| C11 | O12 | C13 | C14 | 152.0° | 159.3° |
| C11 | O12 | C13 | H4 | 89.0° | 78.4° |
| O12 | C11 | C32 | H11 | 142.0° | 94.7° |
| C11 | C32 | O33 | C30 | 107.9° | 114.6° |
| C11 | C32 | O33 | H11 | 123.4° | 122.7° |
| C32 | C11 | O12 | C13 | 0.9° | 40.5° |
| C11 | C32 | C30 | H11 | 117.8° | 118.7° |
| C11 | C32 | C30 | C13 | 38.2° | 0.0° |
| C11 | C32 | C30 | O31 | 154.7° | 118.6° |
| C11 | C32 | C30 | H10 | 79.6° | 118.7° |
| C11 | C32 | O33 | H17 | 180.0° | 180.0° |
| O33 | C32 | C30 | H11 | 130.0° | 122.7° |
| O33 | C32 | C30 | C13 | 74.0° | 118.6° |
| O33 | C32 | C30 | O31 | 42.5° | 0.0° |
| O33 | C32 | C11 | H3 | 27.1° | 23.8° |
| O33 | C32 | C30 | H10 | 168.2° | 122.7° |
| O12 | C13 | C30 | C32 | 39.6° | 24.0° |
| O12 | C13 | C30 | C14 | 120.0° | 118.8° |
| O12 | C13 | C30 | H4 | 115.6° | 119.0° |
| O12 | C13 | C14 | H4 | 120.1° | 122.4° |
| O12 | C13 | C30 | O31 | 156.6° | 142.6° |
| O12 | C13 | C14 | N15 | 34.0° | 69.6° |
| C13 | O12 | C11 | H3 | 117.8° | 78.4° |
| O12 | C13 | C14 | H5 | 155.4° | 170.3° |
| O12 | C13 | C30 | H10 | 78.3° | 94.8° |
| O12 | C13 | C14 | H18 | 87.5° | 50.4° |
| C32 | C30 | C13 | O31 | 117.1° | 118.6° |
| C32 | C30 | C13 | H10 | 117.9° | 118.8° |
| C32 | C30 | C13 | C14 | 159.6° | 142.8° |
| C32 | C30 | O31 | H10 | 124.3° | 122.8° |
| C30 | C32 | C11 | H3 | 144.0° | 94.9° |
| C32 | C30 | C13 | H4 | 76.0° | 95.0° |
| C32 | C30 | O31 | H16 | 180.0° | 65.4° |
| C30 | C32 | O33 | H17 | 72.1° | 65.4° |
| O27 | C26 | C28 | C25 | 180.0° | 179.7° |
| O27 | C26 | C28 | C22 | 179.9° | 179.7° |
| O27 | C26 | C25 | C24 | 180.0° | 180.0° |
| O27 | C26 | C25 | H8 | 0.0° | 0.0° |
| O27 | C26 | C28 | H9 | 0.1° | 0.3° |
| O21 | C20 | C22 | C28 | 6.9° | 0.4° |
| O21 | C20 | C22 | N19 | 179.9° | 180.0° |
| O21 | C20 | C22 | C23 | 173.0° | 180.0° |
| O21 | C20 | N19 | S16 | 0.0° | 0.0° |
| O21 | C20 | N19 | H14 | 179.9° | 179.9° |
| C26 | C28 | C22 | H9 | 180.0° | 179.4° |
| C26 | C28 | C22 | C20 | 180.0° | 179.8° |
| C26 | C28 | C22 | C23 | 0.1° | 0.6° |
| C28 | C26 | C25 | C24 | 0.0° | 0.3° |
| C28 | C26 | C25 | H8 | 180.0° | 179.7° |
| C28 | C26 | O27 | H15 | 180.0° | 89.8° |
| C22 | C28 | C26 | C25 | 0.0° | 0.6° |
| C28 | C22 | C20 | C23 | 179.9° | 179.6° |
| C28 | C22 | C20 | N19 | 173.0° | 179.7° |
| C28 | C22 | C23 | C24 | 0.2° | 0.3° |
| C28 | C22 | C23 | H6 | 179.8° | 179.8° |
| C30 | C13 | C14 | H4 | 124.4° | 122.3° |
| C13 | C30 | O31 | H10 | 123.4° | 122.7° |
| C30 | C13 | C14 | N15 | 149.5° | 175.0° |
| C30 | C13 | C14 | H5 | 89.1° | 55.0° |
| C13 | C30 | C32 | H11 | 156.0° | 118.7° |
| C13 | C30 | O31 | H16 | 67.7° | 180.0° |
| C30 | C13 | C14 | H18 | 28.0° | 65.0° |
| C14 | C13 | C30 | O31 | 83.4° | 98.6° |
| C13 | C14 | N15 | H5 | 121.4° | 120.1° |
| C13 | C14 | N15 | H18 | 121.4° | 120.0° |
| C13 | C14 | N15 | S16 | 171.0° | 165.0° |
| C13 | C14 | H5 | H18 | 115.4° | 120.0° |
| C14 | C13 | C30 | H10 | 41.7° | 24.0° |
| C13 | C14 | N15 | H19 | 66.8° | 15.0° |
| O31 | C30 | C13 | H4 | 41.0° | 23.6° |
| O31 | C30 | C32 | H11 | 87.4° | 122.7° |
| C26 | C25 | C24 | H8 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 0.1° | 0.0° |
| C26 | C25 | C24 | H7 | 179.9° | 180.0° |
| C25 | C26 | C28 | H9 | 180.0° | 180.0° |
| C25 | C26 | O27 | H15 | 0.0° | 90.0° |
| C14 | N15 | S16 | H19 | 122.3° | 180.0° |
| C14 | N15 | S16 | O18 | 167.7° | 48.6° |
| C14 | N15 | S16 | N19 | 80.1° | 65.0° |
| C14 | N15 | S16 | O17 | 38.3° | 178.6° |
| N15 | C14 | C13 | H4 | 86.1° | 52.7° |
| N15 | C14 | H5 | H18 | 115.4° | 120.0° |
| N15 | S16 | N19 | C20 | 45.3° | 65.0° |
| N15 | S16 | O18 | N19 | 113.7° | 114.1° |
| N15 | S16 | O18 | O17 | 121.5° | 122.9° |
| N15 | S16 | N19 | O17 | 114.8° | 113.6° |
| S16 | N15 | C14 | H5 | 49.5° | 45.0° |
| N15 | S16 | N19 | H14 | 134.7° | 115.1° |
| S16 | N15 | C14 | H18 | 67.6° | 75.0° |
| C22 | C20 | N19 | S16 | 180.0° | 180.0° |
| C20 | C22 | C23 | C24 | 179.9° | 179.9° |
| C20 | C22 | C23 | H6 | 0.1° | 0.1° |
| C20 | C22 | C28 | H9 | 0.0° | 0.3° |
| C22 | C20 | N19 | H14 | 0.0° | 0.0° |
| C20 | N19 | S16 | O18 | 70.0° | 178.6° |
| N19 | C20 | C22 | C23 | 7.1° | 0.0° |
| C20 | N19 | S16 | H14 | 180.0° | 179.9° |
| C20 | N19 | S16 | O17 | 160.1° | 48.5° |
| O18 | S16 | N19 | O17 | 129.8° | 132.9° |
| O18 | S16 | N19 | H14 | 109.9° | 1.5° |
| O18 | S16 | N15 | H19 | 70.0° | 131.5° |
| C22 | C23 | C24 | C25 | 0.2° | 0.0° |
| C22 | C23 | C24 | H6 | 180.0° | 179.9° |
| C22 | C23 | C24 | H7 | 179.8° | 179.9° |
| C23 | C22 | C28 | H9 | 179.9° | 180.0° |
| N19 | S16 | N15 | H19 | 42.2° | 115.0° |
| O17 | S16 | N19 | H14 | 19.9° | 131.4° |
| O17 | S16 | N15 | H19 | 160.5° | 1.4° |
| C25 | C24 | C23 | H7 | 180.0° | 179.9° |
| C25 | C24 | C23 | H6 | 179.8° | 179.9° |
| C23 | C24 | C25 | H8 | 179.9° | 180.0° |
| H3 | C11 | C32 | H11 | 98.0° | 146.5° |
| H4 | C13 | C14 | H5 | 35.3° | 67.3° |
| H4 | C13 | C30 | H10 | 166.0° | 146.2° |
| H4 | C13 | C14 | H18 | 152.4° | 172.7° |
| H5 | C14 | N15 | H19 | 171.8° | 135.1° |
| H6 | C23 | C24 | H7 | 0.2° | 0.0° |
| H7 | C24 | C25 | H8 | 0.1° | 0.0° |
| H10 | C30 | C32 | H11 | 38.3° | 0.0° |
| H10 | C30 | O31 | H16 | 55.7° | 57.3° |
| H11 | C32 | O33 | H17 | 56.6° | 57.3° |
| H18 | C14 | N15 | H19 | 54.7° | 105.0° |
