QA7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O27 | C12 | sing | 1.43Å | 1.51Å | |
| O26 | C13 | sing | 1.43Å | 1.48Å | |
| C13 | C12 | sing | 1.55Å | 1.23Å | |
| C13 | C14 | sing | 1.55Å | 1.68Å | |
| C12 | C11 | sing | 1.54Å | 1.60Å | |
| C11 | C10 | sing | 1.53Å | 1.39Å | |
| C11 | O25 | sing | 1.44Å | 1.52Å | |
| C14 | O25 | sing | 1.44Å | 1.29Å | |
| C14 | N15 | sing | 1.47Å | 1.43Å | |
| N22 | C21 | doub | 1.32Å | 1.32Å | Aromatic |
| N22 | C23 | sing | 1.33Å | 1.36Å | Aromatic |
| C21 | N20 | sing | 1.32Å | 1.33Å | Aromatic |
| C10 | O09 | sing | 1.43Å | 1.40Å | |
| C23 | N15 | sing | 1.37Å | 1.36Å | Aromatic |
| C23 | C18 | doub | 1.41Å | 1.37Å | Aromatic |
| N15 | C16 | sing | 1.36Å | 1.34Å | Aromatic |
| O09 | P08 | sing | 1.61Å | 1.65Å | |
| O28 | P08 | doub | 1.48Å | 1.52Å | |
| N20 | C19 | doub | 1.33Å | 1.33Å | Aromatic |
| C18 | C19 | sing | 1.41Å | 1.42Å | Aromatic |
| C18 | N17 | sing | 1.36Å | 1.36Å | Aromatic |
| C16 | N17 | doub | 1.30Å | 1.34Å | Aromatic |
| C19 | N24 | sing | 1.38Å | 1.44Å | |
| P08 | O29 | sing | 1.61Å | 1.51Å | |
| P08 | O07 | sing | 1.61Å | 1.68Å | |
| O07 | C06 | sing | 1.35Å | 1.42Å | |
| C06 | O30 | doub | 1.21Å | 1.19Å | |
| C06 | C05 | sing | 1.49Å | 1.52Å | |
| O31 | C05 | doub | 1.21Å | 1.18Å | |
| C05 | C04 | sing | 1.51Å | 1.53Å | |
| C04 | C02 | sing | 1.53Å | 1.52Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| N24 | H242 | sing | 0.97Å | 1.00Å | |
| N24 | H241 | sing | 0.97Å | 1.00Å | |
| O26 | H261 | sing | 0.97Å | 0.95Å | |
| O27 | H271 | sing | 0.97Å | 0.95Å | |
| O29 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O27 | C12 | C13 | 113.4° | 110.6° |
| O27 | C12 | C11 | 110.1° | 110.4° |
| O27 | C12 | H121 | 108.5° | 110.5° |
| C12 | O27 | H271 | 109.5° | 114.0° |
| O26 | C13 | C12 | 114.1° | 110.9° |
| O26 | C13 | C14 | 106.7° | 110.9° |
| O26 | C13 | H131 | 109.5° | 110.9° |
| C13 | O26 | H261 | 109.5° | 114.0° |
| C12 | C13 | C14 | 105.3° | 102.1° |
| C13 | C12 | C11 | 104.4° | 104.2° |
| C13 | C12 | H121 | 112.8° | 110.5° |
| C12 | C13 | H131 | 113.6° | 110.9° |
| C13 | C14 | O25 | 107.6° | 103.5° |
| C13 | C14 | N15 | 111.0° | 110.6° |
| C14 | C13 | H131 | 107.1° | 110.9° |
| C13 | C14 | H141 | 106.6° | 110.6° |
| C12 | C11 | C10 | 111.8° | 109.9° |
| C12 | C11 | O25 | 102.0° | 107.3° |
| C12 | C11 | H111 | 108.8° | 110.0° |
| C11 | C12 | H121 | 107.3° | 110.4° |
| C10 | C11 | O25 | 112.1° | 109.9° |
| C11 | C10 | O09 | 108.6° | 109.5° |
| C11 | C10 | H102 | 109.7° | 109.5° |
| C11 | C10 | H101 | 109.7° | 109.4° |
| C10 | C11 | H111 | 111.8° | 109.9° |
| C11 | O25 | C14 | 106.8° | 107.0° |
| O25 | C11 | H111 | 109.8° | 109.9° |
| O25 | C14 | N15 | 110.1° | 110.6° |
| O25 | C14 | H141 | 111.9° | 110.7° |
| C14 | N15 | C23 | 125.4° | 126.3° |
| C14 | N15 | C16 | 126.2° | 126.3° |
| N15 | C14 | H141 | 109.6° | 110.7° |
| C21 | N22 | C23 | 120.5° | 120.6° |
| N22 | C21 | N20 | 122.1° | 122.5° |
| N22 | C21 | H211 | 119.0° | 118.8° |
| N22 | C23 | N15 | 133.4° | 135.0° |
| N22 | C23 | C18 | 119.6° | 119.1° |
| C21 | N20 | C19 | 120.1° | 121.2° |
| N20 | C21 | H211 | 118.9° | 118.8° |
| C10 | O09 | P08 | 120.4° | 123.0° |
| O09 | C10 | H102 | 109.7° | 109.5° |
| O09 | C10 | H101 | 109.7° | 109.4° |
| N15 | C23 | C18 | 107.0° | 106.0° |
| C23 | N15 | C16 | 108.4° | 107.5° |
| C23 | C18 | C19 | 117.7° | 118.2° |
| C23 | C18 | N17 | 108.0° | 107.1° |
| N15 | C16 | N17 | 108.7° | 110.0° |
| N15 | C16 | H161 | 125.7° | 125.1° |
| O09 | P08 | O28 | 106.1° | 109.5° |
| O09 | P08 | O29 | 109.0° | 109.5° |
| O09 | P08 | O07 | 113.4° | 109.5° |
| O28 | P08 | O29 | 108.3° | 109.4° |
| O28 | P08 | O07 | 111.7° | 109.5° |
| N20 | C19 | C18 | 120.0° | 118.5° |
| N20 | C19 | N24 | 120.3° | 120.8° |
| C19 | C18 | N17 | 134.2° | 134.7° |
| C18 | C19 | N24 | 119.7° | 120.8° |
| C18 | N17 | C16 | 107.9° | 109.5° |
| N17 | C16 | H161 | 125.7° | 125.0° |
| C19 | N24 | H242 | 109.5° | 120.0° |
| C19 | N24 | H241 | 109.5° | 120.0° |
| O29 | P08 | O07 | 108.3° | 109.5° |
| P08 | O29 | H1 | 109.5° | 114.0° |
| P08 | O07 | C06 | 125.2° | 117.0° |
| O07 | C06 | O30 | 122.4° | 120.0° |
| O07 | C06 | C05 | 121.7° | 120.0° |
| O30 | C06 | C05 | 115.9° | 120.0° |
| C06 | C05 | O31 | 120.5° | 120.0° |
| C06 | C05 | C04 | 119.9° | 120.0° |
| O31 | C05 | C04 | 119.6° | 119.9° |
| C05 | C04 | C02 | 111.6° | 109.5° |
| C05 | C04 | H042 | 108.9° | 109.5° |
| C05 | C04 | H041 | 108.9° | 109.5° |
| C04 | C02 | C03 | 113.7° | 109.4° |
| C04 | C02 | C01 | 111.9° | 109.4° |
| C04 | C02 | H021 | 107.7° | 109.5° |
| C02 | C04 | H042 | 108.9° | 109.5° |
| C02 | C04 | H041 | 109.0° | 109.5° |
| C03 | C02 | C01 | 108.0° | 109.5° |
| C03 | C02 | H021 | 107.6° | 109.5° |
| C02 | C03 | H033 | 109.5° | 109.5° |
| C02 | C03 | H031 | 109.4° | 109.5° |
| C02 | C03 | H032 | 109.4° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C01 | C02 | H021 | 107.7° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.4° |
| H033 | C03 | H031 | 109.5° | 109.5° |
| H033 | C03 | H032 | 109.5° | 109.4° |
| H031 | C03 | H032 | 109.5° | 109.4° |
| H042 | C04 | H041 | 109.5° | 109.5° |
| H102 | C10 | H101 | 109.5° | 109.5° |
| H242 | N24 | H241 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O27 | C12 | C13 | O26 | 36.3° | 20.4° |
| O27 | C12 | C13 | C11 | 119.8° | 118.7° |
| O27 | C12 | C13 | H121 | 123.9° | 122.7° |
| O27 | C12 | C13 | C14 | 152.9° | 97.8° |
| O27 | C12 | C11 | H121 | 117.9° | 122.5° |
| O27 | C12 | C11 | C10 | 79.8° | 119.7° |
| O27 | C12 | C11 | O25 | 160.2° | 120.9° |
| O27 | C12 | C11 | H111 | 44.2° | 1.4° |
| O27 | C12 | C13 | H131 | 90.2° | 144.0° |
| O26 | C13 | C12 | C14 | 116.7° | 118.2° |
| O26 | C13 | C12 | H131 | 126.5° | 123.6° |
| O26 | C13 | C14 | H131 | 117.2° | 123.7° |
| O26 | C13 | C12 | C11 | 83.6° | 139.1° |
| O26 | C13 | C14 | O25 | 102.4° | 155.2° |
| O26 | C13 | C14 | N15 | 137.0° | 86.3° |
| O26 | C13 | C12 | H121 | 160.2° | 102.3° |
| O26 | C13 | C14 | H141 | 17.8° | 36.7° |
| C12 | C13 | C14 | H131 | 121.2° | 118.2° |
| C13 | C12 | C11 | H121 | 120.0° | 118.7° |
| C13 | C12 | C11 | C10 | 158.1° | 121.5° |
| C13 | C12 | C11 | O25 | 38.1° | 2.1° |
| C12 | C13 | C14 | O25 | 19.2° | 37.0° |
| C12 | C13 | C14 | N15 | 101.4° | 155.5° |
| C13 | C12 | C11 | H111 | 77.9° | 117.4° |
| C12 | C13 | C14 | H141 | 139.3° | 81.5° |
| C12 | C13 | O26 | H261 | 180.0° | 61.5° |
| C13 | C12 | O27 | H271 | 180.0° | 65.2° |
| C14 | C13 | C12 | C11 | 33.1° | 20.9° |
| C13 | C14 | O25 | C11 | 6.8° | 40.1° |
| C13 | C14 | O25 | N15 | 121.0° | 118.5° |
| C13 | C14 | O25 | H141 | 116.8° | 118.5° |
| C13 | C14 | N15 | H141 | 117.5° | 122.9° |
| C13 | C14 | N15 | C23 | 84.5° | 85.0° |
| C13 | C14 | N15 | C16 | 95.8° | 95.0° |
| C14 | C13 | C12 | H121 | 83.2° | 139.5° |
| C14 | C13 | O26 | H261 | 64.1° | 174.2° |
| C12 | C11 | C10 | O25 | 113.9° | 117.8° |
| C12 | C11 | C10 | H111 | 122.3° | 121.2° |
| C12 | C11 | O25 | H111 | 115.2° | 119.6° |
| C12 | C11 | O25 | C14 | 24.6° | 26.5° |
| C12 | C11 | C10 | O09 | 176.2° | 175.7° |
| C12 | C11 | C10 | H102 | 56.4° | 55.7° |
| C12 | C11 | C10 | H101 | 63.9° | 64.3° |
| C11 | C12 | C13 | H131 | 150.0° | 97.3° |
| C11 | C12 | O27 | H271 | 63.4° | 180.0° |
| C10 | C11 | O25 | H111 | 125.0° | 121.0° |
| C10 | C11 | O25 | C14 | 144.4° | 146.0° |
| C11 | C10 | O09 | H102 | 119.8° | 120.0° |
| C11 | C10 | O09 | H101 | 119.9° | 119.9° |
| C11 | C10 | O09 | P08 | 174.4° | 180.0° |
| C11 | C10 | H102 | H101 | 120.4° | 120.0° |
| C10 | C11 | C12 | H121 | 38.1° | 2.8° |
| C11 | O25 | C14 | N15 | 127.8° | 158.5° |
| O25 | C11 | C10 | O09 | 69.9° | 66.4° |
| O25 | C11 | C10 | H102 | 170.2° | 173.5° |
| O25 | C11 | C10 | H101 | 50.0° | 53.5° |
| O25 | C11 | C12 | H121 | 81.9° | 116.6° |
| C11 | O25 | C14 | H141 | 110.0° | 78.4° |
| O25 | C14 | N15 | H141 | 123.5° | 123.0° |
| O25 | C14 | N15 | C23 | 156.5° | 160.9° |
| O25 | C14 | N15 | C16 | 23.2° | 19.0° |
| C14 | O25 | C11 | H111 | 90.6° | 93.0° |
| O25 | C14 | C13 | H131 | 140.4° | 81.1° |
| C14 | N15 | C23 | N22 | 0.2° | 0.0° |
| C14 | N15 | C23 | C16 | 179.8° | 180.0° |
| C14 | N15 | C23 | C18 | 179.8° | 179.8° |
| C14 | N15 | C16 | N17 | 180.0° | 180.0° |
| N15 | C14 | C13 | H131 | 19.8° | 37.4° |
| C14 | N15 | C16 | H161 | 0.0° | 0.3° |
| N22 | C21 | N20 | H211 | 180.0° | 179.2° |
| C21 | N22 | C23 | N15 | 179.9° | 179.0° |
| C21 | N22 | C23 | C18 | 0.5° | 0.7° |
| N22 | C21 | N20 | C19 | 0.5° | 0.9° |
| C23 | N22 | C21 | N20 | 0.9° | 1.2° |
| N22 | C23 | N15 | C18 | 179.6° | 179.7° |
| N22 | C23 | N15 | C16 | 179.6° | 180.0° |
| N22 | C23 | C18 | C19 | 0.1° | 0.1° |
| N22 | C23 | C18 | N17 | 179.8° | 179.8° |
| C23 | N22 | C21 | H211 | 179.1° | 179.6° |
| C21 | N20 | C19 | C18 | 0.2° | 0.1° |
| C21 | N20 | C19 | N24 | 179.2° | 180.0° |
| C10 | O09 | P08 | O28 | 63.4° | 55.0° |
| C10 | O09 | P08 | O29 | 179.8° | 65.0° |
| C10 | O09 | P08 | O07 | 59.6° | 175.0° |
| O09 | C10 | H102 | H101 | 120.4° | 120.0° |
| O09 | C10 | C11 | H111 | 54.0° | 54.6° |
| N15 | C23 | C18 | C19 | 179.6° | 179.9° |
| N15 | C23 | C18 | N17 | 0.1° | 0.4° |
| C23 | N15 | C16 | N17 | 0.1° | 0.0° |
| C23 | N15 | C14 | H141 | 33.0° | 37.9° |
| C23 | N15 | C16 | H161 | 179.8° | 179.7° |
| C18 | C23 | N15 | C16 | 0.0° | 0.3° |
| C23 | C18 | C19 | N20 | 0.5° | 0.4° |
| C23 | C18 | C19 | N17 | 179.6° | 179.6° |
| C23 | C18 | N17 | C16 | 0.2° | 0.4° |
| C23 | C18 | C19 | N24 | 179.5° | 179.5° |
| N15 | C16 | N17 | C18 | 0.2° | 0.2° |
| N15 | C16 | N17 | H161 | 180.0° | 179.7° |
| C16 | N15 | C14 | H141 | 146.7° | 142.0° |
| O09 | P08 | O28 | O29 | 116.9° | 120.0° |
| O09 | P08 | O28 | O07 | 124.0° | 120.0° |
| O09 | P08 | O29 | O07 | 123.7° | 120.0° |
| O09 | P08 | O07 | C06 | 21.8° | 175.0° |
| P08 | O09 | C10 | H102 | 65.8° | 60.0° |
| P08 | O09 | C10 | H101 | 54.5° | 60.0° |
| O09 | P08 | O29 | H1 | 115.0° | 60.0° |
| O28 | P08 | O29 | O07 | 121.2° | 120.0° |
| O28 | P08 | O07 | C06 | 141.5° | 55.0° |
| O28 | P08 | O29 | H1 | 0.0° | 180.0° |
| N20 | C19 | C18 | N24 | 179.0° | 179.9° |
| N20 | C19 | C18 | N17 | 179.9° | 180.0° |
| C19 | N20 | C21 | H211 | 179.5° | 179.9° |
| N20 | C19 | N24 | H242 | 0.0° | 180.0° |
| N20 | C19 | N24 | H241 | 120.0° | 0.1° |
| C19 | C18 | N17 | C16 | 179.4° | 180.0° |
| C18 | C19 | N24 | H242 | 179.0° | 0.0° |
| C18 | C19 | N24 | H241 | 61.0° | 180.0° |
| N17 | C18 | C19 | N24 | 0.9° | 0.1° |
| C18 | N17 | C16 | H161 | 179.7° | 180.0° |
| C19 | N24 | H242 | H241 | 120.0° | 179.9° |
| O29 | P08 | O07 | C06 | 99.3° | 65.0° |
| P08 | O07 | C06 | O30 | 28.8° | 0.0° |
| P08 | O07 | C06 | C05 | 151.4° | 180.0° |
| O07 | P08 | O29 | H1 | 121.3° | 60.0° |
| O07 | C06 | O30 | C05 | 179.8° | 180.0° |
| O07 | C06 | C05 | O31 | 3.5° | 0.0° |
| O07 | C06 | C05 | C04 | 176.4° | 180.0° |
| O30 | C06 | C05 | O31 | 176.8° | 180.0° |
| O30 | C06 | C05 | C04 | 3.4° | 0.0° |
| C06 | C05 | O31 | C04 | 179.8° | 180.0° |
| C06 | C05 | C04 | C02 | 166.5° | 180.0° |
| C06 | C05 | C04 | H042 | 73.2° | 60.0° |
| C06 | C05 | C04 | H041 | 46.2° | 60.0° |
| O31 | C05 | C04 | C02 | 13.3° | 0.0° |
| O31 | C05 | C04 | H042 | 107.0° | 120.0° |
| O31 | C05 | C04 | H041 | 133.7° | 120.0° |
| C05 | C04 | C02 | H042 | 120.3° | 120.0° |
| C05 | C04 | C02 | H041 | 120.3° | 120.0° |
| C05 | C04 | C02 | C03 | 178.9° | 175.0° |
| C05 | C04 | C02 | C01 | 56.2° | 65.0° |
| C05 | C04 | C02 | H021 | 62.0° | 55.0° |
| C05 | C04 | H042 | H041 | 119.0° | 120.0° |
| C04 | C02 | C03 | C01 | 124.8° | 119.9° |
| C04 | C02 | C03 | H021 | 119.2° | 120.0° |
| C04 | C02 | C01 | H021 | 118.2° | 120.0° |
| C04 | C02 | C01 | H013 | 180.0° | 60.0° |
| C04 | C02 | C01 | H011 | 60.0° | 180.0° |
| C04 | C02 | C01 | H012 | 60.0° | 60.1° |
| C04 | C02 | C03 | H033 | 180.0° | 60.0° |
| C04 | C02 | C03 | H031 | 60.0° | 60.1° |
| C04 | C02 | C03 | H032 | 60.0° | 180.0° |
| C02 | C04 | H042 | H041 | 119.0° | 120.0° |
| C03 | C02 | C01 | H021 | 115.9° | 120.1° |
| C03 | C02 | C01 | H013 | 54.1° | 59.9° |
| C03 | C02 | C01 | H011 | 65.9° | 60.1° |
| C03 | C02 | C01 | H012 | 174.1° | 180.0° |
| C02 | C03 | H033 | H031 | 120.0° | 120.1° |
| C02 | C03 | H033 | H032 | 120.0° | 120.0° |
| C02 | C03 | H031 | H032 | 120.0° | 120.0° |
| C03 | C02 | C04 | H042 | 60.8° | 55.0° |
| C03 | C02 | C04 | H041 | 58.6° | 65.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.1° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C01 | C02 | C03 | H033 | 55.2° | 59.9° |
| C01 | C02 | C03 | H031 | 175.2° | 180.0° |
| C01 | C02 | C03 | H032 | 64.8° | 60.0° |
| C01 | C02 | C04 | H042 | 176.5° | 175.0° |
| C01 | C02 | C04 | H041 | 64.2° | 55.0° |
| H013 | C01 | H011 | H012 | 120.0° | 120.0° |
| H013 | C01 | C02 | H021 | 61.8° | NaN° |
| H011 | C01 | C02 | H021 | 178.2° | 60.0° |
| H012 | C01 | C02 | H021 | 58.2° | 59.9° |
| H021 | C02 | C03 | H033 | 60.8° | NaN° |
| H021 | C02 | C03 | H031 | 59.2° | 59.9° |
| H021 | C02 | C03 | H032 | 179.2° | 60.0° |
| H021 | C02 | C04 | H042 | 58.4° | 65.0° |
| H021 | C02 | C04 | H041 | 177.7° | 175.0° |
| H033 | C03 | H031 | H032 | 120.0° | 120.0° |
| H102 | C10 | C11 | H111 | 65.9° | 65.5° |
| H101 | C10 | C11 | H111 | 173.8° | 174.5° |
| H111 | C11 | C12 | H121 | 162.1° | 123.9° |
| H121 | C12 | C13 | H131 | 33.7° | 21.3° |
| H121 | C12 | O27 | H271 | 53.8° | 57.5° |
| H131 | C13 | C14 | H141 | 99.4° | 160.3° |
| H131 | C13 | O26 | H261 | 51.4° | 62.1° |
