NO7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O26 | P23 | doub | 1.48Å | 1.46Å | |
O21 | P19 | doub | 1.48Å | 1.45Å | |
O24 | P23 | sing | 1.61Å | 1.46Å | |
P23 | O22 | sing | 1.61Å | 1.67Å | |
P23 | O25 | sing | 1.61Å | 1.45Å | |
C01 | C02 | trip | 1.17Å | 1.19Å | |
P19 | O18 | sing | 1.61Å | 1.67Å | |
P19 | O22 | sing | 1.61Å | 1.66Å | |
P19 | O20 | sing | 1.61Å | 1.46Å | |
O18 | C17 | sing | 1.43Å | 1.41Å | |
O15 | C16 | sing | 1.44Å | 1.54Å | |
O15 | C14 | sing | 1.44Å | 1.57Å | |
C02 | C03 | sing | 1.47Å | 1.55Å | |
C07 | N06 | doub | 1.32Å | 1.35Å | Aromatic |
C07 | N08 | sing | 1.32Å | 1.33Å | Aromatic |
N06 | C05 | sing | 1.33Å | 1.33Å | Aromatic |
C16 | C17 | sing | 1.53Å | 1.48Å | |
C16 | C27 | sing | 1.55Å | 1.48Å | |
N08 | C09 | doub | 1.33Å | 1.31Å | Aromatic |
C05 | N04 | sing | 1.38Å | 1.46Å | |
C05 | C10 | doub | 1.41Å | 1.39Å | Aromatic |
N04 | C03 | sing | 1.46Å | 1.47Å | |
C09 | C10 | sing | 1.41Å | 1.44Å | Aromatic |
C09 | N13 | sing | 1.37Å | 1.28Å | Aromatic |
C10 | N11 | sing | 1.35Å | 1.52Å | Aromatic |
N13 | C14 | sing | 1.46Å | 1.40Å | |
N13 | C12 | sing | 1.36Å | 1.28Å | Aromatic |
C14 | C29 | sing | 1.54Å | 1.47Å | |
N11 | C12 | doub | 1.30Å | 1.34Å | Aromatic |
O28 | C27 | sing | 1.43Å | 1.47Å | |
C27 | C29 | sing | 1.55Å | 1.44Å | |
C29 | O30 | sing | 1.43Å | 1.48Å | |
C17 | H1 | sing | 1.09Å | 1.10Å | |
C17 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.05Å | 1.06Å | |
C03 | H4 | sing | 1.09Å | 1.10Å | |
C03 | H5 | sing | 1.09Å | 1.10Å | |
C07 | H6 | sing | 1.08Å | 1.08Å | |
C12 | H7 | sing | 1.08Å | 1.08Å | |
C14 | H8 | sing | 1.09Å | 1.10Å | |
C16 | H9 | sing | 1.09Å | 1.10Å | |
C27 | H10 | sing | 1.09Å | 1.10Å | |
C29 | H11 | sing | 1.09Å | 1.10Å | |
N04 | H12 | sing | 0.97Å | 1.00Å | |
O20 | H13 | sing | 0.97Å | 0.95Å | |
O24 | H14 | sing | 0.97Å | 0.95Å | |
O25 | H15 | sing | 0.97Å | 0.95Å | |
O28 | H16 | sing | 0.97Å | 0.95Å | |
O30 | H17 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O26 | P23 | O24 | 104.7° | 109.5° |
O26 | P23 | O22 | 114.5° | 109.5° |
O26 | P23 | O25 | 103.8° | 109.5° |
O21 | P19 | O18 | 110.7° | 109.5° |
O21 | P19 | O22 | 112.1° | 109.5° |
O21 | P19 | O20 | 100.8° | 109.4° |
O24 | P23 | O22 | 113.8° | 109.5° |
O24 | P23 | O25 | 103.9° | 109.4° |
P23 | O24 | H14 | 109.5° | 114.0° |
O22 | P23 | O25 | 114.8° | 109.5° |
P23 | O22 | P19 | 125.3° | 134.0° |
P23 | O25 | H15 | 109.5° | 114.0° |
C01 | C02 | C03 | 179.6° | 180.0° |
C02 | C01 | H3 | 180.0° | 179.9° |
O18 | P19 | O22 | 111.0° | 109.4° |
O18 | P19 | O20 | 111.2° | 109.5° |
P19 | O18 | C17 | 118.9° | 122.9° |
O22 | P19 | O20 | 110.7° | 109.5° |
P19 | O20 | H13 | 109.5° | 114.0° |
O18 | C17 | C16 | 111.3° | 109.4° |
O18 | C17 | H1 | 109.0° | 109.5° |
O18 | C17 | H2 | 109.0° | 109.4° |
C16 | O15 | C14 | 93.5° | 107.0° |
O15 | C16 | C17 | 111.6° | 110.7° |
O15 | C16 | C27 | 106.8° | 103.5° |
O15 | C16 | H9 | 109.7° | 110.8° |
O15 | C14 | N13 | 115.6° | 110.0° |
O15 | C14 | C29 | 107.2° | 107.3° |
O15 | C14 | H8 | 103.4° | 109.9° |
C02 | C03 | N04 | 109.2° | 109.5° |
C02 | C03 | H4 | 109.6° | 109.5° |
C02 | C03 | H5 | 109.6° | 109.5° |
N06 | C07 | N08 | 123.7° | 122.5° |
C07 | N06 | C05 | 118.4° | 121.2° |
N06 | C07 | H6 | 118.1° | 118.7° |
C07 | N08 | C09 | 121.8° | 120.7° |
N08 | C07 | H6 | 118.1° | 118.8° |
N06 | C05 | N04 | 121.9° | 120.8° |
N06 | C05 | C10 | 119.1° | 118.5° |
C17 | C16 | C27 | 107.5° | 110.6° |
C16 | C17 | H1 | 109.0° | 109.5° |
C16 | C17 | H2 | 109.0° | 109.4° |
C17 | C16 | H9 | 110.5° | 110.6° |
C16 | C27 | O28 | 108.3° | 110.9° |
C16 | C27 | C29 | 107.6° | 102.1° |
C27 | C16 | H9 | 110.6° | 110.6° |
C16 | C27 | H10 | 109.4° | 110.9° |
N08 | C09 | C10 | 116.0° | 119.0° |
N08 | C09 | N13 | 141.4° | 135.0° |
N04 | C05 | C10 | 119.0° | 120.7° |
C05 | N04 | C03 | 121.9° | 120.0° |
C05 | N04 | H12 | 106.3° | 120.1° |
C05 | C10 | C09 | 121.0° | 118.2° |
C05 | C10 | N11 | 134.6° | 134.7° |
N04 | C03 | H4 | 109.6° | 109.5° |
N04 | C03 | H5 | 109.5° | 109.5° |
C03 | N04 | H12 | 106.3° | 120.0° |
C10 | C09 | N13 | 102.6° | 106.0° |
C09 | C10 | N11 | 104.5° | 107.1° |
C09 | N13 | C14 | 125.8° | 126.3° |
C09 | N13 | C12 | 120.7° | 107.4° |
C10 | N11 | C12 | 104.7° | 109.4° |
C14 | N13 | C12 | 113.5° | 126.3° |
N13 | C14 | C29 | 119.5° | 109.9° |
N13 | C14 | H8 | 104.9° | 109.9° |
N13 | C12 | N11 | 107.5° | 110.0° |
N13 | C12 | H7 | 126.2° | 125.0° |
C14 | C29 | C27 | 104.8° | 104.2° |
C14 | C29 | O30 | 113.7° | 110.5° |
C29 | C14 | H8 | 104.3° | 109.8° |
C14 | C29 | H11 | 108.9° | 110.5° |
N11 | C12 | H7 | 126.3° | 125.0° |
O28 | C27 | C29 | 112.2° | 110.9° |
O28 | C27 | H10 | 109.4° | 110.8° |
C27 | O28 | H16 | 109.5° | 113.9° |
C27 | C29 | O30 | 111.0° | 110.5° |
C29 | C27 | H10 | 109.9° | 110.9° |
C27 | C29 | H11 | 109.4° | 110.5° |
O30 | C29 | H11 | 108.8° | 110.6° |
C29 | O30 | H17 | 109.5° | 114.1° |
H1 | C17 | H2 | 109.5° | 109.5° |
H4 | C03 | H5 | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O26 | P23 | O24 | O22 | 125.8° | 120.1° |
O26 | P23 | O24 | O25 | 108.6° | 120.0° |
O26 | P23 | O22 | O25 | 120.0° | 120.0° |
O26 | P23 | O22 | P19 | 19.9° | 44.9° |
O26 | P23 | O24 | H14 | 0.0° | 59.9° |
O26 | P23 | O25 | H15 | 0.0° | 180.0° |
O21 | P19 | O22 | P23 | 30.9° | 39.9° |
O21 | P19 | O18 | O22 | 125.1° | 120.0° |
O21 | P19 | O18 | O20 | 111.2° | 120.0° |
O21 | P19 | O22 | O20 | 111.7° | 120.0° |
O21 | P19 | O18 | C17 | 165.2° | 55.0° |
O21 | P19 | O20 | H13 | 0.0° | 180.0° |
O24 | P23 | O22 | O25 | 119.6° | 119.9° |
O24 | P23 | O22 | P19 | 140.4° | 165.0° |
O24 | P23 | O25 | H15 | 109.3° | 60.0° |
P23 | O22 | P19 | O18 | 155.2° | 159.9° |
P23 | O22 | P19 | O20 | 80.8° | 80.1° |
O22 | P23 | O24 | H14 | 125.8° | 180.0° |
O22 | P23 | O25 | H15 | 125.7° | 59.9° |
O25 | P23 | O22 | P19 | 100.1° | 75.1° |
O25 | P23 | O24 | H14 | 108.6° | 60.1° |
C01 | C02 | C03 | N04 | 47.3° | 126.1° |
C01 | C02 | C03 | H4 | 72.7° | 6.1° |
C01 | C02 | C03 | H5 | 167.2° | 113.8° |
O18 | P19 | O22 | O20 | 124.0° | 120.0° |
P19 | O18 | C17 | C16 | 154.2° | 180.0° |
P19 | O18 | C17 | H1 | 85.6° | 60.0° |
P19 | O18 | C17 | H2 | 33.9° | 60.1° |
O18 | P19 | O20 | H13 | 117.3° | 60.0° |
O22 | P19 | O18 | C17 | 40.0° | 175.1° |
O22 | P19 | O20 | H13 | 118.8° | 60.0° |
O20 | P19 | O18 | C17 | 83.7° | 65.0° |
O18 | C17 | C16 | O15 | 48.2° | 70.9° |
O18 | C17 | C16 | H1 | 120.3° | 120.0° |
O18 | C17 | C16 | H2 | 120.3° | 119.9° |
O18 | C17 | C16 | C27 | 165.0° | 175.0° |
O18 | C17 | H1 | H2 | 119.2° | 120.0° |
O18 | C17 | C16 | H9 | 74.1° | 52.2° |
O15 | C16 | C17 | C27 | 116.8° | 114.1° |
O15 | C16 | C17 | H9 | 122.3° | 123.1° |
O15 | C16 | C27 | H9 | 119.3° | 118.6° |
C16 | O15 | C14 | N13 | 178.3° | 93.0° |
C16 | O15 | C14 | C29 | 42.2° | 26.5° |
O15 | C16 | C27 | O28 | 95.2° | 155.2° |
O15 | C16 | C27 | C29 | 26.3° | 37.0° |
O15 | C16 | C17 | H1 | 72.1° | 169.1° |
O15 | C16 | C17 | H2 | 168.5° | 49.0° |
C16 | O15 | C14 | H8 | 67.6° | 145.9° |
O15 | C16 | C27 | H10 | 145.6° | 81.2° |
C14 | O15 | C16 | C17 | 77.1° | 158.6° |
C14 | O15 | C16 | C27 | 40.1° | 40.1° |
O15 | C14 | N13 | C09 | 57.3° | 157.1° |
O15 | C14 | N13 | C29 | 130.4° | 117.9° |
O15 | C14 | N13 | H8 | 113.2° | 121.1° |
O15 | C14 | N13 | C12 | 121.4° | 22.6° |
O15 | C14 | C29 | H8 | 109.2° | 119.4° |
O15 | C14 | C29 | C27 | 29.8° | 2.0° |
O15 | C14 | C29 | O30 | 91.7° | 120.7° |
C14 | O15 | C16 | H9 | 160.1° | 78.4° |
O15 | C14 | C29 | H11 | 146.8° | 116.6° |
C02 | C03 | N04 | C05 | 123.1° | 180.0° |
C02 | C03 | N04 | H4 | 120.0° | 120.0° |
C02 | C03 | N04 | H5 | 120.0° | 120.0° |
C03 | C02 | C01 | H3 | 55.7° | 177.3° |
C02 | C03 | H4 | H5 | 120.1° | 120.0° |
C02 | C03 | N04 | H12 | 1.4° | 0.0° |
N06 | C07 | N08 | H6 | 180.0° | 179.6° |
N06 | C07 | N08 | C09 | 0.0° | 0.6° |
C07 | N06 | C05 | N04 | 179.9° | 180.0° |
C07 | N06 | C05 | C10 | 0.3° | 0.0° |
N08 | C07 | N06 | C05 | 0.1° | 0.4° |
C07 | N08 | C09 | C10 | 0.0° | 0.2° |
C07 | N08 | C09 | N13 | 179.4° | 179.8° |
N06 | C05 | N04 | C10 | 179.6° | 180.0° |
N06 | C05 | N04 | C03 | 24.0° | 0.0° |
N06 | C05 | C10 | C09 | 0.3° | 0.3° |
N06 | C05 | C10 | N11 | 179.9° | 180.0° |
C05 | N06 | C07 | H6 | 179.9° | 180.0° |
N06 | C05 | N04 | H12 | 97.7° | 180.0° |
C17 | C16 | C27 | H9 | 120.8° | 122.8° |
C17 | C16 | C27 | O28 | 145.0° | 86.2° |
C17 | C16 | C27 | C29 | 93.6° | 155.5° |
C16 | C17 | H1 | H2 | 119.2° | 120.0° |
C17 | C16 | C27 | H10 | 25.8° | 37.4° |
C16 | C27 | C29 | C14 | 2.3° | 20.9° |
C16 | C27 | O28 | C29 | 118.6° | 112.7° |
C16 | C27 | O28 | H10 | 119.2° | 123.6° |
C16 | C27 | C29 | H10 | 119.0° | 118.2° |
C16 | C27 | C29 | O30 | 120.9° | 97.8° |
C27 | C16 | C17 | H1 | 44.7° | 55.0° |
C27 | C16 | C17 | H2 | 74.7° | 65.1° |
C16 | C27 | C29 | H11 | 119.0° | 139.5° |
C16 | C27 | O28 | H16 | 180.0° | 180.0° |
N08 | C09 | C10 | C05 | 0.1° | 0.2° |
N08 | C09 | C10 | N13 | 179.6° | 180.0° |
N08 | C09 | C10 | N11 | 180.0° | 179.9° |
N08 | C09 | N13 | C14 | 1.4° | 0.0° |
N08 | C09 | N13 | C12 | 180.0° | 179.8° |
C09 | N08 | C07 | H6 | 179.9° | 179.8° |
C05 | N04 | C03 | H12 | 121.7° | 180.0° |
N04 | C05 | C10 | C09 | 179.9° | 179.7° |
N04 | C05 | C10 | N11 | 0.3° | 0.1° |
C05 | N04 | C03 | H4 | 3.1° | 60.0° |
C05 | N04 | C03 | H5 | 116.9° | 60.0° |
C10 | C05 | N04 | C03 | 156.3° | 180.0° |
C05 | C10 | C09 | N11 | 179.9° | 179.7° |
C05 | C10 | C09 | N13 | 179.5° | 179.8° |
C05 | C10 | N11 | C12 | 179.7° | 180.0° |
C10 | C05 | N04 | H12 | 82.0° | 0.0° |
N04 | C03 | H4 | H5 | 120.1° | 120.0° |
C10 | C09 | N13 | C14 | 179.2° | 180.0° |
C10 | C09 | N13 | C12 | 0.6° | 0.2° |
C09 | C10 | N11 | C12 | 0.1° | 0.3° |
N13 | C09 | C10 | N11 | 0.4° | 0.0° |
C09 | N13 | C14 | C12 | 178.6° | 179.8° |
C09 | N13 | C14 | C29 | 73.2° | 85.0° |
C09 | N13 | C12 | N11 | 0.6° | 0.4° |
C09 | N13 | C12 | H7 | 179.4° | 179.9° |
C09 | N13 | C14 | H8 | 170.4° | 36.0° |
C10 | N11 | C12 | N13 | 0.2° | 0.4° |
C10 | N11 | C12 | H7 | 179.8° | 179.9° |
N13 | C14 | C29 | H8 | 116.7° | 121.0° |
C14 | N13 | C12 | N11 | 179.3° | 179.8° |
N13 | C14 | C29 | C27 | 163.8° | 117.5° |
N13 | C14 | C29 | O30 | 42.4° | 1.1° |
C14 | N13 | C12 | H7 | 0.7° | 0.1° |
N13 | C14 | C29 | H11 | 79.1° | 123.8° |
C12 | N13 | C14 | C29 | 108.2° | 95.3° |
N13 | C12 | N11 | H7 | 180.0° | 179.7° |
C12 | N13 | C14 | H8 | 8.2° | 143.7° |
C14 | C29 | C27 | O28 | 121.3° | 139.1° |
C14 | C29 | C27 | O30 | 123.2° | 118.7° |
C14 | C29 | C27 | H11 | 116.7° | 118.7° |
C14 | C29 | O30 | H11 | 121.6° | 122.7° |
C14 | C29 | C27 | H10 | 116.7° | 97.3° |
C14 | C29 | O30 | H17 | 180.0° | 180.0° |
O28 | C27 | C29 | H10 | 122.0° | 123.6° |
O28 | C27 | C29 | O30 | 1.8° | 20.4° |
O28 | C27 | C16 | H9 | 24.2° | 36.6° |
O28 | C27 | C29 | H11 | 122.0° | 102.3° |
C27 | C29 | O30 | H11 | 120.5° | 122.6° |
C27 | C29 | C14 | H8 | 79.5° | 121.4° |
C29 | C27 | C16 | H9 | 145.6° | 81.6° |
C29 | C27 | O28 | H16 | 61.4° | 67.3° |
C27 | C29 | O30 | H17 | 62.1° | 65.2° |
O30 | C29 | C14 | H8 | 159.1° | 119.9° |
O30 | C29 | C27 | H10 | 120.1° | 144.0° |
H1 | C17 | C16 | H9 | 165.6° | 67.8° |
H2 | C17 | C16 | H9 | 46.1° | 172.1° |
H4 | C03 | N04 | H12 | 118.6° | 120.0° |
H5 | C03 | N04 | H12 | 121.4° | 120.0° |
H8 | C14 | C29 | H11 | 37.6° | 2.8° |
H9 | C16 | C27 | H10 | 95.0° | 160.2° |
H10 | C27 | C29 | H11 | 0.0° | 21.4° |
H10 | C27 | O28 | H16 | 60.8° | 56.4° |
H11 | C29 | O30 | H17 | 58.4° | 57.4° |