RDV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N1 | C9 | sing | 1.47Å | 1.49Å | |
N1 | C10 | sing | 1.47Å | 1.50Å | |
C9 | C8 | sing | 1.53Å | 1.51Å | |
C8 | N | sing | 1.47Å | 1.47Å | |
C11 | C10 | sing | 1.53Å | 1.50Å | |
C11 | N | sing | 1.47Å | 1.46Å | |
N | C7 | sing | 1.35Å | 1.35Å | |
C7 | O | doub | 1.21Å | 1.21Å | |
C7 | C6 | sing | 1.51Å | 1.51Å | |
C6 | C5 | sing | 1.53Å | 1.52Å | |
C5 | C3 | sing | 1.53Å | 1.50Å | |
C4 | C3 | sing | 1.54Å | 1.53Å | |
C4 | C | sing | 1.54Å | 1.52Å | |
C3 | C2 | sing | 1.54Å | 1.51Å | |
C | C1 | sing | 1.55Å | 1.51Å | |
C2 | C1 | sing | 1.55Å | 1.49Å | |
C4 | H1 | sing | 1.09Å | 1.10Å | |
C4 | H2 | sing | 1.09Å | 1.10Å | |
C5 | H3 | sing | 1.09Å | 1.10Å | |
C5 | H4 | sing | 1.09Å | 1.10Å | |
C6 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
N1 | H7 | sing | 1.01Å | 1.00Å | |
C8 | H9 | sing | 1.09Å | 1.10Å | |
C8 | H10 | sing | 1.09Å | 1.10Å | |
C9 | H11 | sing | 1.09Å | 1.10Å | |
C9 | H12 | sing | 1.09Å | 1.10Å | |
C10 | H13 | sing | 1.09Å | 1.10Å | |
C10 | H14 | sing | 1.09Å | 1.10Å | |
C11 | H15 | sing | 1.09Å | 1.10Å | |
C11 | H16 | sing | 1.09Å | 1.10Å | |
C3 | H17 | sing | 1.09Å | 1.10Å | |
C2 | H18 | sing | 1.09Å | 1.10Å | |
C2 | H19 | sing | 1.09Å | 1.10Å | |
C1 | H20 | sing | 1.09Å | 1.10Å | |
C1 | H21 | sing | 1.09Å | 1.10Å | |
C | H22 | sing | 1.09Å | 1.10Å | |
C | H23 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C9 | N1 | C10 | 111.6° | 111.3° |
N1 | C9 | C8 | 109.9° | 109.3° |
C9 | N1 | H7 | 108.9° | 111.0° |
N1 | C9 | H11 | 109.3° | 109.5° |
N1 | C9 | H12 | 109.4° | 109.5° |
N1 | C10 | C11 | 109.7° | 109.3° |
C10 | N1 | H7 | 108.9° | 111.0° |
N1 | C10 | H13 | 109.4° | 109.5° |
N1 | C10 | H14 | 109.4° | 109.5° |
C9 | C8 | N | 109.5° | 108.5° |
C9 | C8 | H9 | 109.5° | 109.6° |
C9 | C8 | H10 | 109.4° | 109.8° |
C8 | C9 | H11 | 109.4° | 109.5° |
C8 | C9 | H12 | 109.4° | 109.5° |
C8 | N | C11 | 113.9° | 118.2° |
C8 | N | C7 | 124.3° | 120.9° |
N | C8 | H9 | 109.4° | 109.6° |
N | C8 | H10 | 109.5° | 109.6° |
C10 | C11 | N | 100.5° | 108.5° |
C11 | C10 | H13 | 109.4° | 109.5° |
C11 | C10 | H14 | 109.4° | 109.5° |
C10 | C11 | H15 | 111.7° | 109.7° |
C10 | C11 | H16 | 111.7° | 109.6° |
C11 | N | C7 | 121.6° | 120.9° |
N | C11 | H15 | 111.6° | 109.7° |
N | C11 | H16 | 111.7° | 109.6° |
N | C7 | O | 122.0° | 120.0° |
N | C7 | C6 | 118.0° | 120.0° |
O | C7 | C6 | 119.9° | 120.0° |
C7 | C6 | C5 | 111.0° | 109.5° |
C7 | C6 | H5 | 109.1° | 109.5° |
C7 | C6 | H6 | 109.1° | 109.5° |
C6 | C5 | C3 | 114.5° | 109.4° |
C6 | C5 | H3 | 108.2° | 109.5° |
C6 | C5 | H4 | 108.2° | 109.5° |
C5 | C6 | H5 | 109.1° | 109.5° |
C5 | C6 | H6 | 109.1° | 109.5° |
C5 | C3 | C4 | 110.4° | 110.0° |
C5 | C3 | C2 | 111.1° | 110.0° |
C3 | C5 | H3 | 108.2° | 109.4° |
C3 | C5 | H4 | 108.2° | 109.5° |
C5 | C3 | H17 | 111.6° | 110.0° |
C3 | C4 | C | 105.2° | 106.6° |
C4 | C3 | C2 | 101.0° | 106.6° |
C3 | C4 | H1 | 110.5° | 110.1° |
C3 | C4 | H2 | 110.5° | 110.0° |
C4 | C3 | H17 | 111.1° | 110.1° |
C4 | C | C1 | 105.9° | 104.2° |
C | C4 | H1 | 110.5° | 110.0° |
C | C4 | H2 | 110.5° | 110.0° |
C4 | C | H22 | 110.3° | 110.5° |
C4 | C | H23 | 110.3° | 110.6° |
C3 | C2 | C1 | 102.9° | 104.2° |
C2 | C3 | H17 | 111.3° | 110.1° |
C3 | C2 | H18 | 111.1° | 110.5° |
C3 | C2 | H19 | 111.1° | 110.5° |
C | C1 | C2 | 103.9° | 102.7° |
C | C1 | H20 | 110.9° | 110.7° |
C | C1 | H21 | 110.9° | 110.9° |
C1 | C | H22 | 110.4° | 110.5° |
C1 | C | H23 | 110.4° | 110.5° |
C1 | C2 | H18 | 111.1° | 110.5° |
C1 | C2 | H19 | 111.1° | 110.5° |
C2 | C1 | H20 | 110.8° | 110.8° |
C2 | C1 | H21 | 110.8° | 110.8° |
H1 | C4 | H2 | 109.5° | 110.1° |
H3 | C5 | H4 | 109.5° | 109.5° |
H5 | C6 | H6 | 109.5° | 109.5° |
H9 | C8 | H10 | 109.5° | 109.6° |
H11 | C9 | H12 | 109.4° | 109.6° |
H13 | C10 | H14 | 109.5° | 109.6° |
H15 | C11 | H16 | 109.5° | 109.7° |
H18 | C2 | H19 | 109.5° | 110.5° |
H20 | C1 | H21 | 109.4° | 110.7° |
H22 | C | H23 | 109.5° | 110.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C9 | N1 | C10 | H7 | 120.3° | 124.1° |
N1 | C9 | C8 | H11 | 120.1° | 120.0° |
N1 | C9 | C8 | H12 | 120.1° | 119.9° |
N1 | C9 | C8 | N | 48.9° | 53.8° |
C9 | N1 | C10 | C11 | 62.7° | 63.1° |
N1 | C9 | C8 | H9 | 71.1° | 173.6° |
N1 | C9 | C8 | H10 | 168.9° | 65.9° |
N1 | C9 | H11 | H12 | 119.8° | 120.1° |
C9 | N1 | C10 | H13 | 57.4° | 177.0° |
C9 | N1 | C10 | H14 | 177.3° | 56.9° |
C10 | N1 | C9 | C8 | 51.1° | 63.1° |
N1 | C10 | C11 | H13 | 120.0° | 119.9° |
N1 | C10 | C11 | H14 | 120.0° | 120.0° |
N1 | C10 | C11 | N | 66.4° | 53.9° |
C10 | N1 | C9 | H11 | 171.2° | 56.8° |
C10 | N1 | C9 | H12 | 69.0° | 177.0° |
N1 | C10 | H13 | H14 | 119.9° | 120.1° |
N1 | C10 | C11 | H15 | 175.1° | 65.9° |
N1 | C10 | C11 | H16 | 52.1° | 173.6° |
C9 | C8 | N | H9 | 120.0° | 119.7° |
C9 | C8 | N | H10 | 120.0° | 119.9° |
C9 | C8 | N | C11 | 62.2° | 51.2° |
C9 | C8 | N | C7 | 121.7° | 128.8° |
C8 | C9 | N1 | H7 | 171.4° | 61.0° |
C9 | C8 | H9 | H10 | 120.0° | 120.6° |
C8 | C9 | H11 | H12 | 119.8° | 120.0° |
C8 | N | C11 | C10 | 68.5° | 51.2° |
C8 | N | C11 | C7 | 176.3° | 180.0° |
C8 | N | C7 | O | 7.2° | 0.0° |
C8 | N | C7 | C6 | 176.3° | 180.0° |
N | C8 | H9 | H10 | 120.0° | 120.4° |
N | C8 | C9 | H11 | 169.0° | 66.1° |
N | C8 | C9 | H12 | 71.2° | 173.8° |
C8 | N | C11 | H15 | 173.0° | 68.5° |
C8 | N | C11 | H16 | 50.0° | 170.9° |
C10 | C11 | N | H15 | 118.5° | 119.8° |
C10 | C11 | N | H16 | 118.5° | 119.7° |
C10 | C11 | N | C7 | 115.2° | 128.8° |
C11 | C10 | N1 | H7 | 177.0° | 61.0° |
C11 | C10 | H13 | H14 | 119.9° | 120.1° |
C10 | C11 | H15 | H16 | 124.2° | 120.5° |
C11 | N | C7 | O | 176.9° | 180.0° |
C11 | N | C7 | C6 | 0.4° | 0.0° |
C11 | N | C8 | H9 | 57.8° | 170.9° |
C11 | N | C8 | H10 | 177.8° | 68.7° |
N | C11 | C10 | H13 | 53.6° | 173.8° |
N | C11 | C10 | H14 | 173.6° | 66.1° |
N | C11 | H15 | H16 | 124.2° | 120.4° |
N | C7 | O | C6 | 176.4° | 180.0° |
N | C7 | C6 | C5 | 112.7° | 180.0° |
N | C7 | C6 | H5 | 7.5° | 60.0° |
N | C7 | C6 | H6 | 127.1° | 60.0° |
C7 | N | C8 | H9 | 118.3° | 9.1° |
C7 | N | C8 | H10 | 1.7° | 111.3° |
C7 | N | C11 | H15 | 3.3° | 111.4° |
C7 | N | C11 | H16 | 126.2° | 9.1° |
O | C7 | C6 | C5 | 63.9° | 0.0° |
O | C7 | C6 | H5 | 175.9° | 120.0° |
O | C7 | C6 | H6 | 56.4° | 120.0° |
C7 | C6 | C5 | H5 | 120.2° | 120.0° |
C7 | C6 | C5 | H6 | 120.2° | 120.0° |
C7 | C6 | C5 | C3 | 157.9° | 180.0° |
C7 | C6 | C5 | H3 | 37.2° | 60.0° |
C7 | C6 | C5 | H4 | 81.3° | 60.0° |
C7 | C6 | H5 | H6 | 119.3° | 120.0° |
C6 | C5 | C3 | H3 | 120.7° | 120.0° |
C6 | C5 | C3 | H4 | 120.7° | 120.0° |
C6 | C5 | C3 | C4 | 49.0° | 175.0° |
C6 | C5 | C3 | C2 | 160.2° | 67.9° |
C6 | C5 | H3 | H4 | 117.7° | 120.0° |
C5 | C6 | H5 | H6 | 119.3° | 120.0° |
C6 | C5 | C3 | H17 | 74.9° | 53.6° |
C5 | C3 | C4 | C2 | 117.6° | 119.2° |
C5 | C3 | C4 | H17 | 124.3° | 121.4° |
C5 | C3 | C4 | C | 148.8° | 119.3° |
C5 | C3 | C2 | H17 | 125.0° | 121.4° |
C5 | C3 | C2 | C1 | 162.3° | 142.9° |
C5 | C3 | C4 | H1 | 29.5° | 0.0° |
C5 | C3 | C4 | H2 | 91.9° | 121.5° |
C3 | C5 | H3 | H4 | 117.7° | 120.0° |
C3 | C5 | C6 | H5 | 81.9° | 60.0° |
C3 | C5 | C6 | H6 | 37.7° | 60.0° |
C5 | C3 | C2 | H18 | 78.7° | 98.4° |
C5 | C3 | C2 | H19 | 43.4° | 24.2° |
C3 | C4 | C | H1 | 119.3° | 119.3° |
C3 | C4 | C | H2 | 119.3° | 119.2° |
C4 | C3 | C2 | H17 | 117.9° | 119.3° |
C3 | C4 | C | C1 | 6.3° | 23.5° |
C4 | C3 | C2 | C1 | 45.3° | 23.7° |
C3 | C4 | H1 | H2 | 122.0° | 121.4° |
C4 | C3 | C5 | H3 | 169.8° | 65.0° |
C4 | C3 | C5 | H4 | 71.7° | 55.0° |
C4 | C3 | C2 | H18 | 164.2° | 142.3° |
C4 | C3 | C2 | H19 | 73.7° | 95.1° |
C3 | C4 | C | H22 | 125.8° | 95.1° |
C3 | C4 | C | H23 | 113.1° | 142.2° |
C | C4 | C3 | C2 | 31.2° | 0.1° |
C4 | C | C1 | H22 | 119.4° | 118.7° |
C4 | C | C1 | H23 | 119.5° | 118.7° |
C4 | C | C1 | C2 | 21.8° | 37.9° |
C | C4 | H1 | H2 | 122.0° | 121.4° |
C | C4 | C3 | H17 | 86.9° | 119.3° |
C4 | C | C1 | H20 | 140.9° | 80.4° |
C4 | C | C1 | H21 | 97.4° | 156.3° |
C4 | C | H22 | H23 | 121.6° | 122.7° |
C3 | C2 | C1 | C | 42.1° | 38.0° |
C3 | C2 | C1 | H18 | 118.9° | 118.7° |
C3 | C2 | C1 | H19 | 118.9° | 118.8° |
C2 | C3 | C4 | H1 | 88.1° | 119.2° |
C2 | C3 | C4 | H2 | 150.5° | 119.3° |
C2 | C3 | C5 | H3 | 79.1° | 52.2° |
C2 | C3 | C5 | H4 | 39.4° | 172.2° |
C3 | C2 | H18 | H19 | 123.0° | 122.6° |
C3 | C2 | C1 | H20 | 161.2° | 80.3° |
C3 | C2 | C1 | H21 | 77.1° | 156.5° |
C | C1 | C2 | H20 | 119.1° | 118.3° |
C | C1 | C2 | H21 | 119.1° | 118.5° |
C1 | C | C4 | H1 | 113.0° | 142.9° |
C1 | C | C4 | H2 | 125.7° | 95.7° |
C | C1 | C2 | H18 | 161.0° | 156.6° |
C | C1 | C2 | H19 | 76.9° | 80.8° |
C | C1 | H20 | H21 | 122.6° | 123.4° |
C1 | C | H22 | H23 | 121.6° | 122.6° |
C1 | C2 | C3 | H17 | 72.7° | 95.7° |
C1 | C2 | H18 | H19 | 123.1° | 122.6° |
C2 | C1 | H20 | H21 | 122.6° | 123.3° |
C2 | C1 | C | H22 | 97.7° | 80.7° |
C2 | C1 | C | H23 | 141.2° | 156.7° |
H1 | C4 | C3 | H17 | 153.8° | 121.4° |
H1 | C4 | C | H22 | 6.5° | 24.3° |
H1 | C4 | C | H23 | 127.6° | 98.4° |
H2 | C4 | C3 | H17 | 32.4° | 0.1° |
H2 | C4 | C | H22 | 114.9° | 145.7° |
H2 | C4 | C | H23 | 6.2° | 23.0° |
H3 | C5 | C6 | H5 | 157.4° | 60.0° |
H3 | C5 | C6 | H6 | 83.1° | 180.0° |
H3 | C5 | C3 | H17 | 45.8° | 173.6° |
H4 | C5 | C6 | H5 | 38.9° | 180.0° |
H4 | C5 | C6 | H6 | 158.4° | 60.0° |
H4 | C5 | C3 | H17 | 164.3° | 66.4° |
H7 | N1 | C9 | H11 | 68.5° | 179.1° |
H7 | N1 | C9 | H12 | 51.3° | 58.9° |
H7 | N1 | C10 | H13 | 63.0° | 58.9° |
H7 | N1 | C10 | H14 | 57.0° | 179.0° |
H9 | C8 | C9 | H11 | 48.9° | 53.6° |
H9 | C8 | C9 | H12 | 168.8° | 66.5° |
H10 | C8 | C9 | H11 | 71.0° | 174.1° |
H10 | C8 | C9 | H12 | 48.8° | 54.0° |
H13 | C10 | C11 | H15 | 64.9° | 54.0° |
H13 | C10 | C11 | H16 | 172.2° | 66.5° |
H14 | C10 | C11 | H15 | 55.1° | 174.1° |
H14 | C10 | C11 | H16 | 67.9° | 53.6° |
H17 | C3 | C2 | H18 | 46.3° | 23.0° |
H17 | C3 | C2 | H19 | 168.4° | 145.6° |
H18 | C2 | C1 | H20 | 79.9° | 38.4° |
H18 | C2 | C1 | H21 | 41.9° | 84.9° |
H19 | C2 | C1 | H20 | 42.2° | 160.9° |
H19 | C2 | C1 | H21 | 164.0° | 37.7° |
H20 | C1 | C | H22 | 21.5° | 160.9° |
H20 | C1 | C | H23 | 99.7° | 38.3° |
H21 | C1 | C | H22 | 143.2° | 37.6° |
H21 | C1 | C | H23 | 22.1° | 85.0° |