RG4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C02 | sing | 1.47Å | 1.54Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C02 | N01 | trip | 1.14Å | 1.14Å | |
| C09 | C08 | sing | 1.55Å | 1.61Å | |
| C09 | C05 | sing | 1.54Å | 1.38Å | |
| C08 | C07 | sing | 1.55Å | 1.59Å | |
| C04 | C05 | sing | 1.53Å | 1.54Å | |
| C04 | N10 | sing | 1.47Å | 1.45Å | |
| C05 | C06 | sing | 1.54Å | 1.66Å | |
| N10 | N11 | sing | 1.40Å | 1.37Å | Aromatic |
| N10 | C23 | sing | 1.35Å | 1.31Å | Aromatic |
| C07 | C06 | sing | 1.54Å | 1.36Å | |
| N11 | C12 | doub | 1.31Å | 1.33Å | Aromatic |
| C23 | C13 | doub | 1.37Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.41Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.53Å | |
| C14 | N15 | doub | 1.33Å | 1.33Å | Aromatic |
| C14 | C19 | sing | 1.41Å | 1.42Å | Aromatic |
| C20 | C19 | sing | 1.46Å | 1.42Å | Aromatic |
| C20 | C21 | doub | 1.34Å | 1.39Å | Aromatic |
| N15 | C16 | sing | 1.32Å | 1.34Å | Aromatic |
| C19 | C18 | doub | 1.41Å | 1.39Å | Aromatic |
| C21 | N22 | sing | 1.37Å | 1.33Å | Aromatic |
| C16 | N17 | doub | 1.32Å | 1.32Å | Aromatic |
| C18 | N17 | sing | 1.33Å | 1.37Å | Aromatic |
| C18 | N22 | sing | 1.37Å | 1.38Å | Aromatic |
| C20 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C23 | H17 | sing | 1.08Å | 1.08Å | |
| N22 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C03 | C04 | 115.3° | 109.5° |
| C03 | C02 | N01 | 173.7° | 179.9° |
| C02 | C03 | H3 | 108.0° | 109.5° |
| C02 | C03 | H4 | 108.0° | 109.5° |
| C03 | C04 | C05 | 112.3° | 109.5° |
| C03 | C04 | N10 | 105.8° | 109.5° |
| C04 | C03 | H3 | 108.0° | 109.5° |
| C04 | C03 | H4 | 108.0° | 109.5° |
| C03 | C04 | H5 | 107.2° | 109.5° |
| C08 | C09 | C05 | 106.6° | 104.2° |
| C09 | C08 | C07 | 105.1° | 102.7° |
| C09 | C08 | H11 | 110.6° | 110.8° |
| C09 | C08 | H12 | 110.5° | 111.0° |
| C08 | C09 | H13 | 110.2° | 110.5° |
| C08 | C09 | H14 | 110.2° | 110.5° |
| C09 | C05 | C04 | 111.6° | 110.0° |
| C09 | C05 | C06 | 105.2° | 106.6° |
| C09 | C05 | H6 | 112.3° | 110.0° |
| C05 | C09 | H13 | 110.2° | 110.5° |
| C05 | C09 | H14 | 110.2° | 110.5° |
| C08 | C07 | C06 | 106.2° | 104.2° |
| C08 | C07 | H9 | 110.3° | 110.5° |
| C08 | C07 | H10 | 110.3° | 110.6° |
| C07 | C08 | H11 | 110.6° | 110.7° |
| C07 | C08 | H12 | 110.6° | 110.8° |
| C05 | C04 | N10 | 115.8° | 109.5° |
| C04 | C05 | C06 | 109.1° | 110.0° |
| C05 | C04 | H5 | 107.2° | 109.5° |
| C04 | C05 | H6 | 109.9° | 110.0° |
| C04 | N10 | N11 | 120.4° | 125.9° |
| C04 | N10 | C23 | 129.0° | 125.8° |
| N10 | C04 | H5 | 108.2° | 109.4° |
| C05 | C06 | C07 | 106.9° | 106.6° |
| C06 | C05 | H6 | 108.4° | 110.1° |
| C05 | C06 | H7 | 110.1° | 110.0° |
| C05 | C06 | H8 | 110.1° | 110.0° |
| N11 | N10 | C23 | 110.6° | 108.3° |
| N10 | N11 | C12 | 108.3° | 108.6° |
| N10 | C23 | C13 | 106.4° | 107.6° |
| N10 | C23 | H17 | 126.8° | 126.2° |
| C07 | C06 | H7 | 110.1° | 110.1° |
| C07 | C06 | H8 | 110.1° | 110.1° |
| C06 | C07 | H9 | 110.3° | 110.5° |
| C06 | C07 | H10 | 110.3° | 110.5° |
| N11 | C12 | C13 | 107.0° | 108.0° |
| N11 | C12 | H15 | 126.5° | 126.0° |
| C23 | C13 | C12 | 107.7° | 107.4° |
| C23 | C13 | C14 | 129.3° | 126.3° |
| C13 | C23 | H17 | 126.8° | 126.2° |
| C12 | C13 | C14 | 122.9° | 126.3° |
| C13 | C12 | H15 | 126.5° | 126.0° |
| C13 | C14 | N15 | 117.1° | 120.9° |
| C13 | C14 | C19 | 123.6° | 120.9° |
| N15 | C14 | C19 | 119.1° | 118.3° |
| C14 | N15 | C16 | 121.9° | 121.0° |
| C14 | C19 | C20 | 136.7° | 135.2° |
| C14 | C19 | C18 | 117.6° | 118.6° |
| C19 | C20 | C21 | 107.9° | 106.8° |
| C20 | C19 | C18 | 105.7° | 106.2° |
| C19 | C20 | H1 | 126.1° | 126.6° |
| C20 | C21 | N22 | 107.9° | 109.9° |
| C21 | C20 | H1 | 126.0° | 126.6° |
| C20 | C21 | H2 | 126.0° | 125.1° |
| N15 | C16 | N17 | 120.6° | 122.8° |
| N15 | C16 | H16 | 119.7° | 118.6° |
| C19 | C18 | N17 | 119.2° | 118.6° |
| C19 | C18 | N22 | 108.4° | 107.1° |
| C21 | N22 | C18 | 110.2° | 110.0° |
| N22 | C21 | H2 | 126.1° | 125.1° |
| C21 | N22 | H18 | 124.9° | 125.0° |
| C16 | N17 | C18 | 121.6° | 120.7° |
| N17 | C16 | H16 | 119.7° | 118.6° |
| N17 | C18 | N22 | 132.4° | 134.3° |
| C18 | N22 | H18 | 124.9° | 125.0° |
| H3 | C03 | H4 | 109.5° | 109.5° |
| H7 | C06 | H8 | 109.5° | 110.0° |
| H9 | C07 | H10 | 109.5° | 110.4° |
| H11 | C08 | H12 | 109.4° | 110.7° |
| H13 | C09 | H14 | 109.4° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C03 | C04 | H3 | 120.8° | 120.0° |
| C02 | C03 | C04 | H4 | 120.9° | 120.0° |
| C02 | C03 | C04 | C05 | 57.1° | 65.0° |
| C02 | C03 | C04 | N10 | 70.2° | 175.0° |
| C02 | C03 | H3 | H4 | 117.4° | 120.0° |
| C02 | C03 | C04 | H5 | 174.5° | 55.0° |
| C04 | C03 | C02 | N01 | 54.7° | 128.0° |
| C03 | C04 | C05 | C09 | 49.3° | 62.8° |
| C03 | C04 | C05 | N10 | 121.7° | 120.0° |
| C03 | C04 | C05 | H5 | 117.4° | 120.0° |
| C03 | C04 | N10 | H5 | 114.6° | 120.0° |
| C03 | C04 | C05 | C06 | 165.2° | 180.0° |
| C03 | C04 | N10 | N11 | 89.9° | 145.0° |
| C03 | C04 | N10 | C23 | 87.7° | 35.1° |
| C04 | C03 | H3 | H4 | 117.3° | 120.0° |
| C03 | C04 | C05 | H6 | 76.0° | 58.6° |
| N01 | C02 | C03 | H3 | 66.1° | 8.0° |
| N01 | C02 | C03 | H4 | 175.6° | 112.0° |
| C08 | C09 | C05 | H13 | 119.6° | 118.7° |
| C08 | C09 | C05 | H14 | 119.5° | 118.7° |
| C09 | C08 | C07 | H11 | 119.3° | 118.3° |
| C09 | C08 | C07 | H12 | 119.3° | 118.5° |
| C08 | C09 | C05 | C04 | 142.3° | 142.9° |
| C08 | C09 | C05 | C06 | 24.0° | 23.6° |
| C09 | C08 | C07 | C06 | 12.2° | 38.0° |
| C08 | C09 | C05 | H6 | 93.7° | 95.7° |
| C09 | C08 | C07 | H9 | 131.7° | 156.6° |
| C09 | C08 | C07 | H10 | 107.2° | 80.8° |
| C09 | C08 | H11 | H12 | 122.0° | 123.5° |
| C08 | C09 | H13 | H14 | 121.3° | 122.6° |
| C05 | C09 | C08 | C07 | 9.7° | 37.9° |
| C09 | C05 | C04 | C06 | 115.9° | 117.2° |
| C09 | C05 | C04 | H6 | 125.3° | 121.4° |
| C09 | C05 | C04 | N10 | 171.1° | 177.2° |
| C09 | C05 | C06 | H6 | 120.4° | 119.3° |
| C09 | C05 | C06 | C07 | 33.8° | 0.0° |
| C09 | C05 | C04 | H5 | 68.1° | 57.2° |
| C09 | C05 | C06 | H7 | 153.5° | 119.3° |
| C09 | C05 | C06 | H8 | 85.7° | 119.3° |
| C05 | C09 | C08 | H11 | 129.0° | 80.3° |
| C05 | C09 | C08 | H12 | 109.6° | 156.3° |
| C05 | C09 | H13 | H14 | 121.4° | 122.6° |
| C08 | C07 | C06 | C05 | 26.2° | 23.6° |
| C08 | C07 | C06 | H9 | 119.5° | 118.7° |
| C08 | C07 | C06 | H10 | 119.5° | 118.8° |
| C08 | C07 | C06 | H7 | 145.8° | 95.6° |
| C08 | C07 | C06 | H8 | 93.5° | 142.9° |
| C08 | C07 | H9 | H10 | 121.5° | 122.7° |
| C07 | C08 | H11 | H12 | 122.0° | 123.2° |
| C07 | C08 | C09 | H13 | 129.3° | 80.7° |
| C07 | C08 | C09 | H14 | 109.8° | 156.6° |
| C05 | C04 | N10 | H5 | 120.3° | 120.0° |
| C04 | C05 | C06 | H6 | 119.7° | 121.4° |
| C05 | C04 | N10 | N11 | 145.0° | 95.0° |
| C05 | C04 | N10 | C23 | 37.4° | 84.9° |
| C04 | C05 | C06 | C07 | 153.8° | 119.3° |
| C05 | C04 | C03 | H3 | 177.9° | 55.0° |
| C05 | C04 | C03 | H4 | 63.8° | 175.0° |
| C04 | C05 | C06 | H7 | 86.6° | 121.4° |
| C04 | C05 | C06 | H8 | 34.2° | 0.1° |
| C04 | C05 | C09 | H13 | 98.2° | 24.2° |
| C04 | C05 | C09 | H14 | 22.7° | 98.4° |
| N10 | C04 | C05 | C06 | 73.0° | 60.0° |
| C04 | N10 | N11 | C23 | 178.0° | 179.9° |
| C04 | N10 | N11 | C12 | 178.5° | 180.0° |
| C04 | N10 | C23 | C13 | 179.0° | 179.9° |
| N10 | C04 | C03 | H3 | 50.7° | 65.0° |
| N10 | C04 | C03 | H4 | 168.9° | 55.0° |
| N10 | C04 | C05 | H6 | 45.7° | 61.5° |
| C04 | N10 | C23 | H17 | 1.0° | 0.1° |
| C05 | C06 | C07 | H7 | 119.6° | 119.3° |
| C05 | C06 | C07 | H8 | 119.6° | 119.2° |
| C06 | C05 | C04 | H5 | 47.8° | 60.0° |
| C05 | C06 | H7 | H8 | 121.2° | 121.3° |
| C05 | C06 | C07 | H9 | 145.7° | 142.3° |
| C05 | C06 | C07 | H10 | 93.3° | 95.2° |
| C06 | C05 | C09 | H13 | 143.6° | 95.0° |
| C06 | C05 | C09 | H14 | 95.5° | 142.3° |
| N11 | N10 | C23 | C13 | 1.2° | 0.2° |
| N10 | N11 | C12 | C13 | 0.5° | 0.1° |
| N11 | N10 | C04 | H5 | 24.8° | 25.0° |
| N10 | N11 | C12 | H15 | 179.5° | 179.9° |
| N11 | N10 | C23 | H17 | 178.8° | 179.9° |
| C23 | N10 | N11 | C12 | 0.5° | 0.0° |
| N10 | C23 | C13 | H17 | 180.0° | 179.9° |
| N10 | C23 | C13 | C12 | 1.5° | 0.2° |
| N10 | C23 | C13 | C14 | 177.1° | 180.0° |
| C23 | N10 | C04 | H5 | 157.7° | 155.1° |
| C07 | C06 | C05 | H6 | 86.5° | 119.3° |
| C07 | C06 | H7 | H8 | 121.2° | 121.5° |
| C06 | C07 | H9 | H10 | 121.5° | 122.5° |
| C06 | C07 | C08 | H11 | 107.1° | 80.3° |
| C06 | C07 | C08 | H12 | 131.5° | 156.5° |
| N11 | C12 | C13 | C23 | 1.2° | 0.2° |
| N11 | C12 | C13 | H15 | 180.0° | 180.0° |
| N11 | C12 | C13 | C14 | 177.2° | 180.0° |
| C23 | C13 | C12 | C14 | 176.0° | 179.7° |
| C23 | C13 | C14 | N15 | 165.2° | 34.7° |
| C23 | C13 | C14 | C19 | 10.1° | 145.3° |
| C23 | C13 | C12 | H15 | 178.8° | 179.7° |
| C12 | C13 | C14 | N15 | 9.9° | 145.0° |
| C12 | C13 | C14 | C19 | 174.8° | 35.0° |
| C12 | C13 | C23 | H17 | 178.5° | 179.8° |
| C13 | C14 | N15 | C19 | 175.5° | 180.0° |
| C13 | C14 | C19 | C20 | 2.8° | 0.0° |
| C13 | C14 | N15 | C16 | 178.1° | 180.0° |
| C13 | C14 | C19 | C18 | 176.7° | 180.0° |
| C14 | C13 | C12 | H15 | 2.8° | 0.0° |
| C14 | C13 | C23 | H17 | 2.9° | 0.1° |
| N15 | C14 | C19 | C20 | 178.0° | 180.0° |
| N15 | C14 | C19 | C18 | 1.5° | 0.0° |
| C14 | N15 | C16 | N17 | 1.4° | 0.0° |
| C14 | N15 | C16 | H16 | 178.6° | 180.0° |
| C14 | C19 | C20 | C18 | 179.5° | 180.0° |
| C14 | C19 | C20 | C21 | 179.7° | 180.0° |
| C19 | C14 | N15 | C16 | 2.6° | 0.0° |
| C14 | C19 | C18 | N17 | 0.6° | 0.0° |
| C14 | C19 | C18 | N22 | 180.0° | 180.0° |
| C14 | C19 | C20 | H1 | 0.2° | 0.2° |
| C19 | C20 | C21 | H1 | 180.0° | 179.7° |
| C19 | C20 | C21 | N22 | 0.0° | 0.0° |
| C20 | C19 | C18 | N17 | 179.7° | 180.0° |
| C20 | C19 | C18 | N22 | 0.3° | 0.0° |
| C19 | C20 | C21 | H2 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 0.2° | 0.0° |
| C20 | C21 | N22 | H2 | 180.0° | 180.0° |
| C20 | C21 | N22 | C18 | 0.2° | 0.0° |
| C20 | C21 | N22 | H18 | 179.8° | 180.0° |
| N15 | C16 | N17 | H16 | 180.0° | 179.9° |
| N15 | C16 | N17 | C18 | 0.9° | 0.1° |
| C19 | C18 | N22 | C21 | 0.4° | 0.0° |
| C19 | C18 | N17 | C16 | 1.8° | 0.1° |
| C19 | C18 | N17 | N22 | 179.2° | 180.0° |
| C18 | C19 | C20 | H1 | 179.8° | 179.7° |
| C19 | C18 | N22 | H18 | 179.7° | 180.0° |
| C21 | N22 | C18 | N17 | 179.6° | 180.0° |
| C21 | N22 | C18 | H18 | 180.0° | 179.9° |
| N22 | C21 | C20 | H1 | 180.0° | 179.7° |
| C16 | N17 | C18 | N22 | 179.0° | 179.9° |
| C18 | N17 | C16 | H16 | 179.1° | 180.0° |
| N17 | C18 | N22 | H18 | 0.4° | 0.1° |
| C18 | N22 | C21 | H2 | 179.7° | 180.0° |
| H1 | C20 | C21 | H2 | 0.0° | 0.2° |
| H2 | C21 | N22 | H18 | 0.2° | 0.1° |
| H3 | C03 | C04 | H5 | 64.6° | 175.0° |
| H4 | C03 | C04 | H5 | 53.6° | 65.0° |
| H5 | C04 | C05 | H6 | 166.6° | 178.6° |
| H6 | C05 | C06 | H7 | 33.1° | 0.0° |
| H6 | C05 | C06 | H8 | 153.9° | 121.4° |
| H6 | C05 | C09 | H13 | 25.8° | 145.6° |
| H6 | C05 | C09 | H14 | 146.7° | 22.9° |
| H7 | C06 | C07 | H9 | 94.7° | 23.1° |
| H7 | C06 | C07 | H10 | 26.3° | 145.5° |
| H8 | C06 | C07 | H9 | 26.1° | 98.4° |
| H8 | C06 | C07 | H10 | 147.1° | 24.0° |
| H9 | C07 | C08 | H11 | 12.4° | 38.3° |
| H9 | C07 | C08 | H12 | 109.0° | 84.8° |
| H10 | C07 | C08 | H11 | 133.4° | 160.9° |
| H10 | C07 | C08 | H12 | 12.1° | 37.8° |
| H11 | C08 | C09 | H13 | 111.4° | 161.0° |
| H11 | C08 | C09 | H14 | 9.5° | 38.3° |
| H12 | C08 | C09 | H13 | 10.0° | 37.6° |
| H12 | C08 | C09 | H14 | 130.8° | 85.0° |
