6R9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| O03 | C02 | doub | 1.21Å | 1.18Å | |
| O06 | P05 | doub | 1.48Å | 1.51Å | |
| C02 | O04 | sing | 1.34Å | 1.41Å | |
| O04 | P05 | sing | 1.61Å | 1.65Å | |
| N24 | C23 | sing | 1.38Å | 1.45Å | |
| P05 | O08 | sing | 1.61Å | 1.66Å | |
| P05 | O07 | sing | 1.61Å | 1.51Å | |
| N17 | C16 | doub | 1.30Å | 1.33Å | Aromatic |
| N17 | C18 | sing | 1.35Å | 1.34Å | Aromatic |
| C16 | N15 | sing | 1.36Å | 1.32Å | Aromatic |
| O08 | C09 | sing | 1.43Å | 1.40Å | |
| C23 | C18 | doub | 1.40Å | 1.41Å | Aromatic |
| C23 | N22 | sing | 1.33Å | 1.32Å | Aromatic |
| C18 | C19 | sing | 1.41Å | 1.38Å | Aromatic |
| O14 | C13 | sing | 1.44Å | 1.62Å | |
| O14 | C10 | sing | 1.44Å | 1.31Å | |
| N15 | C19 | sing | 1.37Å | 1.35Å | Aromatic |
| N15 | C13 | sing | 1.46Å | 1.47Å | |
| N22 | C21 | doub | 1.32Å | 1.33Å | Aromatic |
| C19 | N20 | doub | 1.33Å | 1.34Å | Aromatic |
| C09 | C10 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | sing | 1.55Å | 1.34Å | |
| C21 | N20 | sing | 1.32Å | 1.32Å | Aromatic |
| C10 | C11 | sing | 1.55Å | 1.57Å | |
| C12 | C11 | sing | 1.55Å | 1.51Å | |
| C12 | O25 | sing | 1.43Å | 1.40Å | |
| C11 | O26 | sing | 1.43Å | 1.40Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C09 | H4 | sing | 1.09Å | 1.10Å | |
| C09 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| N24 | H12 | sing | 0.97Å | 1.00Å | |
| N24 | H13 | sing | 0.97Å | 1.00Å | |
| O07 | H14 | sing | 0.97Å | 0.95Å | |
| O25 | H15 | sing | 0.97Å | 0.95Å | |
| O26 | H16 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | O03 | 120.0° | 120.0° |
| C01 | C02 | O04 | 119.3° | 120.0° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.4° | 109.4° |
| C02 | C01 | H3 | 109.4° | 109.4° |
| O03 | C02 | O04 | 120.7° | 119.9° |
| O06 | P05 | O04 | 110.0° | 109.4° |
| O06 | P05 | O08 | 109.3° | 109.4° |
| O06 | P05 | O07 | 109.7° | 109.5° |
| C02 | O04 | P05 | 119.2° | 117.0° |
| O04 | P05 | O08 | 108.1° | 109.5° |
| O04 | P05 | O07 | 109.6° | 109.5° |
| N24 | C23 | C18 | 119.9° | 120.8° |
| N24 | C23 | N22 | 120.5° | 120.7° |
| C23 | N24 | H12 | 109.5° | 120.0° |
| C23 | N24 | H13 | 109.5° | 120.0° |
| O08 | P05 | O07 | 110.2° | 109.5° |
| P05 | O08 | C09 | 118.6° | 123.0° |
| P05 | O07 | H14 | 109.5° | 114.0° |
| C16 | N17 | C18 | 107.9° | 109.4° |
| N17 | C16 | N15 | 109.8° | 110.0° |
| N17 | C16 | H10 | 125.1° | 125.0° |
| N17 | C18 | C23 | 134.9° | 134.7° |
| N17 | C18 | C19 | 107.3° | 107.1° |
| C16 | N15 | C19 | 108.2° | 107.5° |
| C16 | N15 | C13 | 126.2° | 126.3° |
| N15 | C16 | H10 | 125.1° | 125.0° |
| O08 | C09 | C10 | 106.9° | 109.5° |
| O08 | C09 | H4 | 110.1° | 109.5° |
| O08 | C09 | H5 | 110.1° | 109.5° |
| C18 | C23 | N22 | 119.6° | 118.5° |
| C23 | C18 | C19 | 117.8° | 118.1° |
| C23 | N22 | C21 | 120.4° | 121.2° |
| C18 | C19 | N15 | 106.9° | 106.0° |
| C18 | C19 | N20 | 119.8° | 119.1° |
| C13 | O14 | C10 | 106.4° | 105.3° |
| O14 | C13 | N15 | 99.9° | 110.5° |
| O14 | C13 | C12 | 106.6° | 104.8° |
| O14 | C13 | H9 | 107.2° | 110.3° |
| O14 | C10 | C09 | 110.4° | 110.4° |
| O14 | C10 | C11 | 103.2° | 104.8° |
| O14 | C10 | H6 | 113.2° | 110.5° |
| C19 | N15 | C13 | 125.6° | 126.3° |
| N15 | C19 | N20 | 133.4° | 134.9° |
| N15 | C13 | C12 | 121.9° | 110.4° |
| N15 | C13 | H9 | 109.0° | 110.4° |
| N22 | C21 | N20 | 122.2° | 122.5° |
| N22 | C21 | H11 | 118.9° | 118.7° |
| C19 | N20 | C21 | 120.2° | 120.6° |
| C09 | C10 | C11 | 111.4° | 110.4° |
| C10 | C09 | H4 | 110.1° | 109.5° |
| C10 | C09 | H5 | 110.1° | 109.4° |
| C09 | C10 | H6 | 109.5° | 110.3° |
| C13 | C12 | C11 | 103.8° | 104.1° |
| C13 | C12 | O25 | 108.5° | 110.5° |
| C13 | C12 | H8 | 113.0° | 110.6° |
| C12 | C13 | H9 | 110.9° | 110.3° |
| N20 | C21 | H11 | 118.9° | 118.8° |
| C10 | C11 | C12 | 100.6° | 104.1° |
| C10 | C11 | O26 | 111.4° | 110.5° |
| C11 | C10 | H6 | 109.1° | 110.4° |
| C10 | C11 | H7 | 110.0° | 110.5° |
| C11 | C12 | O25 | 109.0° | 110.5° |
| C12 | C11 | O26 | 110.6° | 110.5° |
| C12 | C11 | H7 | 110.9° | 110.7° |
| C11 | C12 | H8 | 110.3° | 110.5° |
| O25 | C12 | H8 | 111.9° | 110.5° |
| C12 | O25 | H15 | 109.5° | 114.0° |
| O26 | C11 | H7 | 112.7° | 110.5° |
| C11 | O26 | H16 | 109.5° | 114.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C09 | H5 | 109.5° | 109.4° |
| H12 | N24 | H13 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | O03 | O04 | 179.8° | 179.9° |
| C01 | C02 | O04 | P05 | 178.1° | 180.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 119.9° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| O03 | C02 | O04 | P05 | 2.2° | 0.1° |
| O03 | C02 | C01 | H1 | 0.0° | 120.0° |
| O03 | C02 | C01 | H2 | 120.0° | 0.0° |
| O03 | C02 | C01 | H3 | 120.0° | 120.1° |
| O06 | P05 | O04 | C02 | 67.4° | 55.1° |
| O06 | P05 | O04 | O08 | 119.2° | 119.9° |
| O06 | P05 | O04 | O07 | 120.7° | 120.0° |
| O06 | P05 | O08 | O07 | 120.6° | 120.0° |
| O06 | P05 | O08 | C09 | 179.4° | 55.1° |
| O06 | P05 | O07 | H14 | 0.0° | 180.0° |
| C02 | O04 | P05 | O08 | 51.8° | 175.0° |
| C02 | O04 | P05 | O07 | 171.8° | 64.9° |
| O04 | C02 | C01 | H1 | 179.8° | 60.0° |
| O04 | C02 | C01 | H2 | 60.2° | 180.0° |
| O04 | C02 | C01 | H3 | 59.8° | 60.0° |
| O04 | P05 | O08 | O07 | 119.7° | 120.0° |
| O04 | P05 | O08 | C09 | 60.8° | 175.0° |
| O04 | P05 | O07 | H14 | 120.9° | 60.0° |
| N24 | C23 | C18 | N17 | 0.1° | 0.5° |
| N24 | C23 | C18 | N22 | 180.0° | 179.9° |
| N24 | C23 | C18 | C19 | 180.0° | 180.0° |
| N24 | C23 | N22 | C21 | 179.9° | 180.0° |
| C23 | N24 | H12 | H13 | 120.0° | 180.0° |
| P05 | O08 | C09 | C10 | 179.4° | 180.0° |
| P05 | O08 | C09 | H4 | 59.8° | 60.0° |
| P05 | O08 | C09 | H5 | 61.0° | 60.0° |
| O08 | P05 | O07 | H14 | 120.3° | 60.0° |
| O07 | P05 | O08 | C09 | 58.9° | 65.0° |
| N17 | C16 | N15 | H10 | 180.0° | 179.8° |
| C16 | N17 | C18 | C23 | 179.9° | 179.8° |
| C16 | N17 | C18 | C19 | 0.1° | 0.3° |
| N17 | C16 | N15 | C19 | 0.5° | 0.2° |
| N17 | C16 | N15 | C13 | 179.8° | 179.8° |
| C18 | N17 | C16 | N15 | 0.3° | 0.0° |
| N17 | C18 | C23 | C19 | 179.9° | 179.5° |
| N17 | C18 | C23 | N22 | 179.9° | 179.5° |
| N17 | C18 | C19 | N15 | 0.2° | 0.4° |
| N17 | C18 | C19 | N20 | 180.0° | 179.7° |
| C18 | N17 | C16 | H10 | 179.7° | 179.7° |
| C16 | N15 | C19 | C18 | 0.4° | 0.3° |
| C16 | N15 | C13 | O14 | 8.3° | 20.5° |
| C16 | N15 | C19 | C13 | 179.3° | 180.0° |
| C16 | N15 | C19 | N20 | 179.8° | 179.7° |
| C16 | N15 | C13 | C12 | 108.5° | 95.0° |
| C16 | N15 | C13 | H9 | 120.4° | 142.7° |
| O08 | C09 | C10 | O14 | 56.6° | 69.6° |
| O08 | C09 | C10 | H4 | 119.6° | 120.0° |
| O08 | C09 | C10 | H5 | 119.6° | 120.1° |
| O08 | C09 | C10 | C11 | 170.7° | 175.0° |
| O08 | C09 | H4 | H5 | 121.2° | 120.0° |
| O08 | C09 | C10 | H6 | 68.6° | 52.7° |
| C23 | C18 | C19 | N15 | 179.8° | 180.0° |
| C18 | C23 | N22 | C21 | 0.0° | 0.0° |
| C23 | C18 | C19 | N20 | 0.0° | 0.0° |
| C18 | C23 | N24 | H12 | 180.0° | 0.0° |
| C18 | C23 | N24 | H13 | 60.0° | 180.0° |
| N22 | C23 | C18 | C19 | 0.0° | 0.0° |
| C23 | N22 | C21 | N20 | 0.2° | 0.0° |
| C23 | N22 | C21 | H11 | 179.8° | 180.0° |
| N22 | C23 | N24 | H12 | 0.0° | 180.0° |
| N22 | C23 | N24 | H13 | 120.0° | 0.1° |
| C18 | C19 | N15 | N20 | 179.8° | 180.0° |
| C18 | C19 | N15 | C13 | 179.7° | 179.6° |
| C18 | C19 | N20 | C21 | 0.2° | 0.0° |
| O14 | C13 | N15 | C19 | 172.5° | 159.5° |
| O14 | C13 | N15 | C12 | 116.8° | 115.5° |
| O14 | C13 | N15 | H9 | 112.1° | 122.3° |
| C13 | O14 | C10 | C09 | 146.7° | 159.3° |
| O14 | C13 | C12 | H9 | 116.3° | 118.7° |
| C13 | O14 | C10 | C11 | 27.6° | 40.5° |
| O14 | C13 | C12 | C11 | 25.1° | 23.9° |
| O14 | C13 | C12 | O25 | 90.8° | 142.6° |
| C13 | O14 | C10 | H6 | 90.2° | 78.4° |
| O14 | C13 | C12 | H8 | 144.5° | 94.8° |
| C10 | O14 | C13 | N15 | 130.2° | 159.4° |
| O14 | C10 | C09 | C11 | 114.0° | 115.4° |
| O14 | C10 | C09 | H6 | 125.2° | 122.4° |
| C10 | O14 | C13 | C12 | 2.5° | 40.5° |
| O14 | C10 | C11 | H6 | 120.6° | 118.9° |
| O14 | C10 | C11 | C12 | 42.7° | 24.0° |
| O14 | C10 | C11 | O26 | 160.0° | 142.6° |
| O14 | C10 | C09 | H4 | 63.0° | 170.3° |
| O14 | C10 | C09 | H5 | 176.2° | 50.4° |
| O14 | C10 | C11 | H7 | 74.3° | 94.8° |
| C10 | O14 | C13 | H9 | 116.3° | 78.3° |
| C19 | N15 | C13 | C12 | 70.7° | 85.0° |
| N15 | C19 | N20 | C21 | 179.9° | 180.0° |
| C19 | N15 | C13 | H9 | 60.4° | 37.2° |
| C19 | N15 | C16 | H10 | 179.5° | 180.0° |
| C13 | N15 | C19 | N20 | 0.5° | 0.3° |
| N15 | C13 | C12 | H9 | 130.3° | 122.3° |
| N15 | C13 | C12 | C11 | 88.3° | 142.9° |
| N15 | C13 | C12 | O25 | 155.8° | 98.4° |
| N15 | C13 | C12 | H8 | 31.1° | 24.2° |
| C13 | N15 | C16 | H10 | 0.3° | 0.0° |
| N22 | C21 | N20 | C19 | 0.3° | 0.0° |
| N22 | C21 | N20 | H11 | 180.0° | 180.0° |
| C19 | N20 | C21 | H11 | 179.8° | 180.0° |
| C09 | C10 | C11 | H6 | 121.0° | 122.2° |
| C09 | C10 | C11 | C12 | 161.1° | 142.8° |
| C09 | C10 | C11 | O26 | 81.6° | 98.6° |
| C10 | C09 | H4 | H5 | 121.1° | 119.9° |
| C09 | C10 | C11 | H7 | 44.1° | 24.0° |
| C13 | C12 | C11 | C10 | 40.7° | 0.0° |
| C13 | C12 | C11 | O25 | 115.5° | 118.7° |
| C13 | C12 | C11 | H8 | 121.3° | 118.7° |
| C13 | C12 | O25 | H8 | 125.3° | 122.7° |
| C13 | C12 | C11 | O26 | 158.5° | 118.6° |
| C13 | C12 | C11 | H7 | 75.7° | 118.7° |
| C13 | C12 | O25 | H15 | 180.0° | 176.1° |
| C10 | C11 | C12 | O26 | 117.8° | 118.6° |
| C10 | C11 | C12 | H7 | 116.4° | 118.7° |
| C10 | C11 | C12 | O25 | 74.8° | 118.6° |
| C10 | C11 | O26 | H7 | 124.2° | 122.6° |
| C11 | C10 | C09 | H4 | 51.0° | 55.0° |
| C11 | C10 | C09 | H5 | 69.7° | 64.9° |
| C10 | C11 | C12 | H8 | 161.9° | 118.8° |
| C10 | C11 | O26 | H16 | 180.0° | 180.0° |
| C11 | C12 | O25 | H8 | 122.3° | 122.6° |
| C12 | C11 | O26 | H7 | 124.8° | 122.8° |
| C12 | C11 | C10 | H6 | 77.9° | 95.0° |
| C11 | C12 | C13 | H9 | 141.4° | 94.8° |
| C11 | C12 | O25 | H15 | 67.5° | 61.4° |
| C12 | C11 | O26 | H16 | 69.0° | 65.4° |
| O25 | C12 | C11 | O26 | 43.0° | 0.1° |
| O25 | C12 | C11 | H7 | 168.8° | 122.6° |
| O25 | C12 | C13 | H9 | 25.5° | 23.9° |
| O26 | C11 | C10 | H6 | 39.4° | 23.7° |
| O26 | C11 | C12 | H8 | 80.2° | 122.6° |
| H1 | C01 | H2 | H3 | 120.0° | 120.1° |
| H4 | C09 | C10 | H6 | 171.8° | 67.3° |
| H5 | C09 | C10 | H6 | 51.0° | 172.8° |
| H6 | C10 | C11 | H7 | 165.1° | 146.2° |
| H7 | C11 | C12 | H8 | 45.6° | 0.1° |
| H7 | C11 | O26 | H16 | 55.8° | 57.4° |
| H8 | C12 | C13 | H9 | 99.2° | 146.5° |
| H8 | C12 | O25 | H15 | 54.7° | 61.1° |
