0M7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C10 | C9 | sing | 1.53Å | 1.53Å | |
C8 | C9 | sing | 1.53Å | 1.51Å | |
C8 | C7 | sing | 1.53Å | 1.52Å | |
C7 | C6 | sing | 1.53Å | 1.53Å | |
C6 | N5 | sing | 1.47Å | 1.45Å | |
O13 | P3 | doub | 1.48Å | 1.53Å | |
O12 | P3 | sing | 1.61Å | 1.50Å | |
C4 | N5 | sing | 1.47Å | 1.46Å | |
C4 | C2 | sing | 1.53Å | 1.52Å | |
P3 | C2 | sing | 1.82Å | 1.80Å | |
P3 | O11 | sing | 1.61Å | 1.50Å | |
O14 | P1 | doub | 1.48Å | 1.52Å | |
C2 | P1 | sing | 1.82Å | 1.82Å | |
P1 | O16 | sing | 1.61Å | 1.48Å | |
P1 | O15 | sing | 1.61Å | 1.51Å | |
O11 | H1 | sing | 0.97Å | 0.95Å | |
O12 | H2 | sing | 0.97Å | 0.95Å | |
C2 | H3 | sing | 1.09Å | 1.10Å | |
O15 | H4 | sing | 0.97Å | 0.95Å | |
O16 | H5 | sing | 0.97Å | 0.95Å | |
C4 | H6 | sing | 1.09Å | 1.10Å | |
C4 | H7 | sing | 1.09Å | 1.10Å | |
N5 | H8 | sing | 1.01Å | 1.00Å | |
C6 | H10 | sing | 1.09Å | 1.10Å | |
C6 | H11 | sing | 1.09Å | 1.10Å | |
C7 | H12 | sing | 1.09Å | 1.10Å | |
C7 | H13 | sing | 1.09Å | 1.10Å | |
C8 | H14 | sing | 1.09Å | 1.10Å | |
C8 | H15 | sing | 1.09Å | 1.10Å | |
C9 | H16 | sing | 1.09Å | 1.10Å | |
C9 | H17 | sing | 1.09Å | 1.10Å | |
C10 | H18 | sing | 1.09Å | 1.10Å | |
C10 | H19 | sing | 1.09Å | 1.10Å | |
C10 | H20 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C10 | C9 | C8 | 108.7° | 109.5° |
C10 | C9 | H16 | 109.7° | 109.5° |
C10 | C9 | H17 | 109.7° | 109.5° |
C9 | C10 | H18 | 109.5° | 109.5° |
C9 | C10 | H19 | 109.5° | 109.5° |
C9 | C10 | H20 | 109.5° | 109.5° |
C9 | C8 | C7 | 109.4° | 109.5° |
C9 | C8 | H14 | 109.5° | 109.4° |
C9 | C8 | H15 | 109.5° | 109.5° |
C8 | C9 | H16 | 109.7° | 109.4° |
C8 | C9 | H17 | 109.7° | 109.5° |
C8 | C7 | C6 | 110.5° | 109.5° |
C8 | C7 | H12 | 109.2° | 109.5° |
C8 | C7 | H13 | 109.2° | 109.5° |
C7 | C8 | H14 | 109.5° | 109.5° |
C7 | C8 | H15 | 109.5° | 109.5° |
C7 | C6 | N5 | 109.8° | 109.4° |
C7 | C6 | H10 | 109.4° | 109.5° |
C7 | C6 | H11 | 109.4° | 109.4° |
C6 | C7 | H12 | 109.2° | 109.5° |
C6 | C7 | H13 | 109.2° | 109.5° |
C6 | N5 | C4 | 119.2° | 111.0° |
C6 | N5 | H8 | 107.0° | 111.0° |
N5 | C6 | H10 | 109.4° | 109.5° |
N5 | C6 | H11 | 109.4° | 109.5° |
O13 | P3 | O12 | 114.7° | 109.5° |
O13 | P3 | C2 | 106.9° | 109.5° |
O13 | P3 | O11 | 113.8° | 109.4° |
O12 | P3 | C2 | 101.2° | 109.5° |
O12 | P3 | O11 | 112.0° | 109.5° |
P3 | O12 | H2 | 109.5° | 114.0° |
N5 | C4 | C2 | 106.4° | 109.5° |
N5 | C4 | H6 | 110.2° | 109.5° |
N5 | C4 | H7 | 110.2° | 109.4° |
C4 | N5 | H8 | 107.0° | 111.0° |
C4 | C2 | P3 | 104.1° | 109.5° |
C4 | C2 | P1 | 110.0° | 109.5° |
C4 | C2 | H3 | 112.3° | 109.5° |
C2 | C4 | H6 | 110.3° | 109.5° |
C2 | C4 | H7 | 110.2° | 109.5° |
C2 | P3 | O11 | 107.1° | 109.5° |
P3 | C2 | P1 | 113.2° | 109.5° |
P3 | C2 | H3 | 108.6° | 109.5° |
P3 | O11 | H1 | 109.5° | 114.0° |
O14 | P1 | C2 | 102.2° | 109.5° |
O14 | P1 | O16 | 111.6° | 109.5° |
O14 | P1 | O15 | 115.8° | 109.5° |
C2 | P1 | O16 | 107.5° | 109.4° |
C2 | P1 | O15 | 102.6° | 109.4° |
P1 | C2 | H3 | 108.5° | 109.5° |
O16 | P1 | O15 | 115.4° | 109.5° |
P1 | O16 | H5 | 109.5° | 114.0° |
P1 | O15 | H4 | 109.5° | 114.0° |
H6 | C4 | H7 | 109.5° | 109.4° |
H10 | C6 | H11 | 109.5° | 109.5° |
H12 | C7 | H13 | 109.5° | 109.4° |
H14 | C8 | H15 | 109.5° | 109.5° |
H16 | C9 | H17 | 109.4° | 109.4° |
H18 | C10 | H19 | 109.5° | 109.4° |
H18 | C10 | H20 | 109.5° | 109.4° |
H19 | C10 | H20 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C10 | C9 | C8 | H16 | 119.9° | 120.1° |
C10 | C9 | C8 | H17 | 119.9° | 120.0° |
C10 | C9 | C8 | C7 | 97.9° | 180.0° |
C10 | C9 | C8 | H14 | 22.1° | 60.0° |
C10 | C9 | C8 | H15 | 142.1° | 60.0° |
C10 | C9 | H16 | H17 | 120.3° | 120.0° |
C9 | C10 | H18 | H19 | 120.0° | 120.0° |
C9 | C10 | H18 | H20 | 120.0° | 120.1° |
C9 | C10 | H19 | H20 | 120.0° | 120.1° |
C9 | C8 | C7 | H14 | 120.0° | 120.0° |
C9 | C8 | C7 | H15 | 120.0° | 120.0° |
C9 | C8 | C7 | C6 | 97.0° | 180.0° |
C9 | C8 | C7 | H12 | 142.8° | 60.0° |
C9 | C8 | C7 | H13 | 23.2° | 60.0° |
C9 | C8 | H14 | H15 | 120.1° | 120.0° |
C8 | C9 | H16 | H17 | 120.4° | 119.9° |
C8 | C9 | C10 | H18 | 180.0° | 60.0° |
C8 | C9 | C10 | H19 | 60.0° | 60.0° |
C8 | C9 | C10 | H20 | 60.0° | 180.0° |
C8 | C7 | C6 | H12 | 120.1° | 120.0° |
C8 | C7 | C6 | H13 | 120.2° | 120.0° |
C8 | C7 | C6 | N5 | 151.0° | 180.0° |
C8 | C7 | C6 | H10 | 88.9° | 60.0° |
C8 | C7 | C6 | H11 | 31.0° | 60.1° |
C8 | C7 | H12 | H13 | 119.5° | 120.0° |
C7 | C8 | H14 | H15 | 120.1° | 120.0° |
C7 | C8 | C9 | H16 | 142.2° | 59.9° |
C7 | C8 | C9 | H17 | 22.0° | 60.0° |
C7 | C6 | N5 | H10 | 120.1° | 120.0° |
C7 | C6 | N5 | H11 | 120.0° | 119.9° |
C7 | C6 | N5 | C4 | 63.5° | 180.0° |
C7 | C6 | N5 | H8 | 57.9° | 56.0° |
C7 | C6 | H10 | H11 | 119.9° | 120.0° |
C6 | C7 | H12 | H13 | 119.5° | 120.0° |
C6 | C7 | C8 | H14 | 23.0° | 60.0° |
C6 | C7 | C8 | H15 | 143.0° | 60.0° |
C6 | N5 | C4 | H8 | 121.4° | 124.0° |
C6 | N5 | C4 | C2 | 170.2° | 180.0° |
C6 | N5 | C4 | H6 | 70.2° | 60.0° |
C6 | N5 | C4 | H7 | 50.7° | 60.0° |
N5 | C6 | H10 | H11 | 119.8° | 120.0° |
N5 | C6 | C7 | H12 | 30.9° | 60.0° |
N5 | C6 | C7 | H13 | 88.8° | 60.0° |
O13 | P3 | O12 | C2 | 114.6° | 120.1° |
O13 | P3 | O12 | O11 | 131.6° | 119.9° |
O13 | P3 | C2 | C4 | 58.6° | 60.0° |
O13 | P3 | C2 | O11 | 122.3° | 119.9° |
O13 | P3 | C2 | P1 | 60.9° | 180.0° |
O13 | P3 | O11 | H1 | 0.0° | 60.0° |
O13 | P3 | O12 | H2 | 0.0° | 180.0° |
O13 | P3 | C2 | H3 | 178.5° | 60.0° |
O12 | P3 | C2 | C4 | 61.8° | 180.0° |
O12 | P3 | C2 | O11 | 117.4° | 120.0° |
O12 | P3 | C2 | P1 | 178.7° | 60.0° |
O12 | P3 | O11 | H1 | 132.1° | 60.0° |
O12 | P3 | C2 | H3 | 58.1° | 60.0° |
N5 | C4 | C2 | H6 | 119.5° | 120.1° |
N5 | C4 | C2 | H7 | 119.5° | 120.0° |
N5 | C4 | C2 | P3 | 137.5° | 60.0° |
N5 | C4 | C2 | P1 | 100.9° | 60.0° |
N5 | C4 | C2 | H3 | 20.1° | 180.0° |
N5 | C4 | H6 | H7 | 121.4° | 120.0° |
C4 | N5 | C6 | H10 | 176.5° | 60.0° |
C4 | N5 | C6 | H11 | 56.6° | 60.1° |
C4 | C2 | P3 | P1 | 119.5° | 120.0° |
C4 | C2 | P3 | H3 | 119.9° | 120.0° |
C4 | C2 | P3 | O11 | 179.1° | 60.0° |
C4 | C2 | P1 | O14 | 51.9° | 60.0° |
C4 | C2 | P1 | H3 | 123.2° | 120.0° |
C4 | C2 | P1 | O16 | 65.8° | 180.0° |
C4 | C2 | P1 | O15 | 172.1° | 60.0° |
C2 | C4 | H6 | H7 | 121.4° | 120.0° |
C2 | C4 | N5 | H8 | 48.9° | 56.0° |
P3 | C2 | P1 | O14 | 64.2° | 180.0° |
P3 | C2 | P1 | H3 | 120.7° | 120.0° |
P3 | C2 | P1 | O16 | 178.2° | 60.0° |
P3 | C2 | P1 | O15 | 56.1° | 60.0° |
C2 | P3 | O11 | H1 | 117.8° | 180.0° |
C2 | P3 | O12 | H2 | 114.6° | 60.0° |
P3 | C2 | C4 | H6 | 17.9° | 60.1° |
P3 | C2 | C4 | H7 | 103.0° | 180.0° |
O11 | P3 | C2 | P1 | 61.3° | 60.0° |
O11 | P3 | O12 | H2 | 131.6° | 60.1° |
O11 | P3 | C2 | H3 | 59.3° | 180.0° |
O14 | P1 | C2 | O16 | 117.6° | 120.0° |
O14 | P1 | C2 | O15 | 120.3° | 120.0° |
O14 | P1 | O16 | O15 | 134.9° | 120.1° |
O14 | P1 | C2 | H3 | 175.1° | 60.0° |
O14 | P1 | O15 | H4 | 0.0° | 180.0° |
O14 | P1 | O16 | H5 | 0.0° | 60.0° |
C2 | P1 | O16 | O15 | 113.8° | 120.0° |
C2 | P1 | O15 | H4 | 110.4° | 60.0° |
C2 | P1 | O16 | H5 | 111.3° | 180.0° |
P1 | C2 | C4 | H6 | 139.6° | 180.0° |
P1 | C2 | C4 | H7 | 18.6° | 60.0° |
O16 | P1 | C2 | H3 | 57.5° | 60.0° |
O16 | P1 | O15 | H4 | 133.0° | 60.0° |
O15 | P1 | C2 | H3 | 64.6° | 180.0° |
O15 | P1 | O16 | H5 | 134.9° | 60.0° |
H3 | C2 | C4 | H6 | 99.4° | 60.0° |
H3 | C2 | C4 | H7 | 139.6° | 60.0° |
H6 | C4 | N5 | H8 | 168.4° | 64.0° |
H7 | C4 | N5 | H8 | 70.6° | 176.0° |
H8 | N5 | C6 | H10 | 62.2° | 64.0° |
H8 | N5 | C6 | H11 | 177.9° | 176.0° |
H10 | C6 | C7 | H12 | 150.9° | 180.0° |
H10 | C6 | C7 | H13 | 31.3° | 60.0° |
H11 | C6 | C7 | H12 | 89.1° | 60.0° |
H11 | C6 | C7 | H13 | 151.2° | 179.9° |
H12 | C7 | C8 | H14 | 97.2° | 179.9° |
H12 | C7 | C8 | H15 | 22.8° | 60.0° |
H13 | C7 | C8 | H14 | 143.1° | 60.0° |
H13 | C7 | C8 | H15 | 96.8° | 180.0° |
H14 | C8 | C9 | H16 | 97.9° | 180.0° |
H14 | C8 | C9 | H17 | 141.9° | 60.0° |
H15 | C8 | C9 | H16 | 22.2° | 60.1° |
H15 | C8 | C9 | H17 | 98.0° | 180.0° |
H16 | C9 | C10 | H18 | 60.1° | 180.0° |
H16 | C9 | C10 | H19 | 59.9° | 60.0° |
H16 | C9 | C10 | H20 | 179.9° | 60.0° |
H17 | C9 | C10 | H18 | 60.1° | 60.0° |
H17 | C9 | C10 | H19 | 179.9° | 180.0° |
H17 | C9 | C10 | H20 | 59.9° | 60.0° |
H18 | C10 | H19 | H20 | 120.0° | 119.9° |