RGV
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O18 | C17 | doub | 1.21Å | 1.18Å | |
C17 | N07 | sing | 1.35Å | 1.45Å | |
N07 | C06 | sing | 1.47Å | 1.50Å | |
N07 | C08 | sing | 1.47Å | 1.53Å | |
C06 | C05 | sing | 1.54Å | 1.67Å | |
C08 | C09 | sing | 1.52Å | 1.62Å | |
C05 | C09 | sing | 1.55Å | 1.43Å | |
C05 | C04 | sing | 1.57Å | 1.35Å | |
C09 | N02 | sing | 1.47Å | 1.48Å | |
C09 | C10 | sing | 1.51Å | 1.57Å | |
N02 | C01 | sing | 1.47Å | 1.00Å | |
N02 | C03 | sing | 1.50Å | 1.63Å | |
C04 | C03 | sing | 1.55Å | 1.33Å | |
C03 | C16 | sing | 1.51Å | 1.53Å | |
C10 | O11 | doub | 1.21Å | 1.18Å | |
C10 | C12 | sing | 1.47Å | 1.52Å | |
C16 | C12 | sing | 1.48Å | 1.44Å | Aromatic |
C16 | C15 | doub | 1.32Å | 1.40Å | Aromatic |
C12 | C13 | doub | 1.36Å | 1.40Å | Aromatic |
C15 | N14 | sing | 1.37Å | 1.37Å | Aromatic |
C13 | N14 | sing | 1.35Å | 1.36Å | Aromatic |
C13 | H1 | sing | 1.08Å | 1.08Å | |
C15 | H2 | sing | 1.08Å | 1.08Å | |
C17 | H3 | sing | 1.08Å | 1.08Å | |
C01 | H4 | sing | 1.09Å | 1.10Å | |
C01 | H5 | sing | 1.09Å | 1.10Å | |
C01 | H6 | sing | 1.09Å | 1.10Å | |
C03 | H7 | sing | 1.09Å | 1.10Å | |
C04 | H8 | sing | 1.09Å | 1.10Å | |
C04 | H9 | sing | 1.09Å | 1.10Å | |
C05 | H10 | sing | 1.09Å | 1.10Å | |
C06 | H11 | sing | 1.09Å | 1.10Å | |
C06 | H12 | sing | 1.09Å | 1.10Å | |
C08 | H13 | sing | 1.09Å | 1.10Å | |
C08 | H14 | sing | 1.09Å | 1.10Å | |
N14 | H16 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O18 | C17 | N07 | 119.8° | 120.0° |
O18 | C17 | H3 | 120.1° | 120.0° |
C17 | N07 | C06 | 125.8° | 125.4° |
C17 | N07 | C08 | 126.3° | 125.3° |
N07 | C17 | H3 | 120.1° | 120.0° |
C06 | N07 | C08 | 107.9° | 109.4° |
N07 | C06 | C05 | 106.0° | 108.1° |
N07 | C06 | H11 | 110.4° | 109.7° |
N07 | C06 | H12 | 110.3° | 109.8° |
N07 | C08 | C09 | 104.7° | 106.4° |
N07 | C08 | H13 | 110.7° | 110.1° |
N07 | C08 | H14 | 110.6° | 110.1° |
C06 | C05 | C09 | 106.6° | 103.6° |
C06 | C05 | C04 | 112.7° | 109.1° |
C06 | C05 | H10 | 106.3° | 113.1° |
C05 | C06 | H11 | 110.3° | 109.7° |
C05 | C06 | H12 | 110.3° | 109.8° |
C08 | C09 | C05 | 107.4° | 105.1° |
C08 | C09 | N02 | 114.1° | 113.1° |
C08 | C09 | C10 | 116.0° | 113.4° |
C09 | C08 | H13 | 110.7° | 110.0° |
C09 | C08 | H14 | 110.7° | 110.0° |
C09 | C05 | C04 | 111.4° | 105.0° |
C05 | C09 | N02 | 98.1° | 104.9° |
C05 | C09 | C10 | 108.7° | 110.3° |
C09 | C05 | H10 | 109.2° | 112.8° |
C05 | C04 | C03 | 111.6° | 103.8° |
C05 | C04 | H8 | 108.9° | 111.0° |
C05 | C04 | H9 | 108.9° | 110.9° |
C04 | C05 | H10 | 110.4° | 112.5° |
N02 | C09 | C10 | 110.8° | 109.6° |
C09 | N02 | C01 | 120.8° | 111.0° |
C09 | N02 | C03 | 99.3° | 104.1° |
C09 | C10 | O11 | 122.1° | 123.8° |
C09 | C10 | C12 | 114.5° | 112.6° |
C01 | N02 | C03 | 118.9° | 110.9° |
N02 | C01 | H4 | 109.5° | 109.4° |
N02 | C01 | H5 | 109.5° | 109.5° |
N02 | C01 | H6 | 109.5° | 109.5° |
N02 | C03 | C04 | 96.3° | 103.3° |
N02 | C03 | C16 | 107.8° | 105.6° |
N02 | C03 | H7 | 110.8° | 113.8° |
C04 | C03 | C16 | 112.6° | 106.0° |
C04 | C03 | H7 | 115.8° | 113.6° |
C03 | C04 | H8 | 108.9° | 110.3° |
C03 | C04 | H9 | 108.9° | 110.3° |
C03 | C16 | C12 | 120.0° | 120.7° |
C03 | C16 | C15 | 133.9° | 133.0° |
C16 | C03 | H7 | 112.2° | 113.6° |
O11 | C10 | C12 | 123.4° | 123.7° |
C10 | C12 | C16 | 118.9° | 118.8° |
C10 | C12 | C13 | 133.4° | 134.7° |
C12 | C16 | C15 | 106.1° | 106.3° |
C16 | C12 | C13 | 107.6° | 106.5° |
C16 | C15 | N14 | 108.3° | 109.0° |
C16 | C15 | H2 | 125.9° | 125.5° |
C12 | C13 | N14 | 107.5° | 107.8° |
C12 | C13 | H1 | 126.3° | 126.1° |
C15 | N14 | C13 | 110.6° | 110.5° |
N14 | C15 | H2 | 125.9° | 125.5° |
C15 | N14 | H16 | 124.7° | 124.8° |
N14 | C13 | H1 | 126.3° | 126.1° |
C13 | N14 | H16 | 124.7° | 124.7° |
H4 | C01 | H5 | 109.5° | 109.5° |
H4 | C01 | H6 | 109.4° | 109.5° |
H5 | C01 | H6 | 109.5° | 109.5° |
H8 | C04 | H9 | 109.5° | 110.4° |
H11 | C06 | H12 | 109.5° | 109.7° |
H13 | C08 | H14 | 109.5° | 110.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O18 | C17 | N07 | H3 | 180.0° | 180.0° |
O18 | C17 | N07 | C06 | 180.0° | 180.0° |
O18 | C17 | N07 | C08 | 0.5° | 0.0° |
C17 | N07 | C06 | C08 | 179.6° | 180.0° |
C17 | N07 | C06 | C05 | 166.1° | 179.8° |
C17 | N07 | C08 | C09 | 154.9° | 163.1° |
C17 | N07 | C06 | H11 | 46.7° | 60.5° |
C17 | N07 | C06 | H12 | 74.4° | 60.1° |
C17 | N07 | C08 | H13 | 85.8° | 43.9° |
C17 | N07 | C08 | H14 | 35.7° | 77.7° |
N07 | C06 | C05 | H11 | 119.5° | 119.6° |
N07 | C06 | C05 | H12 | 119.4° | 119.7° |
C06 | N07 | C08 | C09 | 24.7° | 17.0° |
N07 | C06 | C05 | C09 | 4.4° | 16.1° |
N07 | C06 | C05 | C04 | 126.9° | 127.5° |
C06 | N07 | C17 | H3 | 0.0° | 0.0° |
N07 | C06 | C05 | H10 | 112.1° | 106.4° |
N07 | C06 | H11 | H12 | 121.6° | 120.7° |
C06 | N07 | C08 | H13 | 94.6° | 136.2° |
C06 | N07 | C08 | H14 | 143.9° | 102.3° |
C08 | N07 | C06 | C05 | 13.5° | 0.2° |
N07 | C08 | C09 | H13 | 119.3° | 119.2° |
N07 | C08 | C09 | H14 | 119.2° | 119.3° |
N07 | C08 | C09 | C05 | 28.0° | 26.7° |
N07 | C08 | C09 | N02 | 79.6° | 87.2° |
N07 | C08 | C09 | C10 | 149.8° | 147.2° |
C08 | N07 | C17 | H3 | 179.5° | 180.0° |
C08 | N07 | C06 | H11 | 132.9° | 119.4° |
C08 | N07 | C06 | H12 | 106.0° | 119.9° |
N07 | C08 | H13 | H14 | 122.2° | 121.6° |
C06 | C05 | C09 | C08 | 19.3° | 25.8° |
C06 | C05 | C09 | C04 | 123.4° | 114.5° |
C06 | C05 | C09 | H10 | 114.5° | 122.7° |
C06 | C05 | C04 | H10 | 118.7° | 126.4° |
C06 | C05 | C09 | N02 | 99.1° | 93.6° |
C06 | C05 | C09 | C10 | 145.6° | 148.4° |
C06 | C05 | C04 | C03 | 128.1° | 116.1° |
C06 | C05 | C04 | H8 | 7.8° | 125.4° |
C06 | C05 | C04 | H9 | 111.6° | 2.4° |
C05 | C06 | H11 | H12 | 121.6° | 120.7° |
C08 | C09 | C05 | N02 | 118.5° | 119.4° |
C08 | C09 | C05 | C10 | 126.2° | 122.6° |
C08 | C09 | C05 | C04 | 142.7° | 140.3° |
C08 | C09 | N02 | C10 | 133.1° | 127.6° |
C08 | C09 | N02 | C01 | 74.1° | 86.4° |
C08 | C09 | N02 | C03 | 154.1° | 154.3° |
C08 | C09 | C10 | O11 | 9.0° | 8.6° |
C08 | C09 | C10 | C12 | 172.8° | 171.6° |
C08 | C09 | C05 | H10 | 95.1° | 96.8° |
C09 | C08 | H13 | H14 | 122.2° | 121.4° |
C09 | C05 | C04 | H10 | 121.5° | 123.0° |
C05 | C09 | N02 | C10 | 113.6° | 118.4° |
C05 | C09 | N02 | C01 | 172.7° | 159.7° |
C05 | C09 | N02 | C03 | 40.8° | 40.3° |
C09 | C05 | C04 | C03 | 8.3° | 5.5° |
C05 | C09 | C10 | O11 | 112.1° | 108.9° |
C05 | C09 | C10 | C12 | 66.1° | 70.9° |
C09 | C05 | C04 | H8 | 112.0° | 124.0° |
C09 | C05 | C04 | H9 | 128.6° | 112.9° |
C09 | C05 | C06 | H11 | 115.1° | 135.7° |
C09 | C05 | C06 | H12 | 123.8° | 103.6° |
C05 | C09 | C08 | H13 | 91.3° | 145.9° |
C05 | C09 | C08 | H14 | 147.2° | 92.6° |
C04 | C05 | C09 | N02 | 24.2° | 20.9° |
C04 | C05 | C09 | C10 | 91.0° | 97.1° |
C05 | C04 | C03 | N02 | 33.2° | 29.4° |
C05 | C04 | C03 | H8 | 120.3° | 119.0° |
C05 | C04 | C03 | H9 | 120.3° | 118.8° |
C05 | C04 | C03 | C16 | 79.2° | 81.4° |
C05 | C04 | C03 | H7 | 149.9° | 153.2° |
C05 | C04 | H8 | H9 | 119.0° | 123.3° |
C04 | C05 | C06 | H11 | 7.4° | 112.8° |
C04 | C05 | C06 | H12 | 113.7° | 7.8° |
C09 | N02 | C01 | C03 | 122.9° | 115.1° |
C09 | N02 | C03 | C04 | 46.3° | 43.7° |
C09 | N02 | C03 | C16 | 69.9° | 67.4° |
N02 | C09 | C10 | O11 | 141.1° | 136.1° |
N02 | C09 | C10 | C12 | 40.7° | 44.2° |
C09 | N02 | C01 | H4 | 180.0° | 60.0° |
C09 | N02 | C01 | H5 | 60.0° | 180.0° |
C09 | N02 | C01 | H6 | 60.0° | 60.0° |
C09 | N02 | C03 | H7 | 166.9° | 167.3° |
N02 | C09 | C05 | H10 | 146.4° | 143.7° |
N02 | C09 | C08 | H13 | 161.1° | 32.1° |
N02 | C09 | C08 | H14 | 39.6° | 153.5° |
C10 | C09 | N02 | C01 | 59.0° | 41.2° |
C10 | C09 | N02 | C03 | 72.8° | 78.1° |
C09 | C10 | O11 | C12 | 178.1° | 179.7° |
C09 | C10 | C12 | C16 | 0.2° | 5.6° |
C09 | C10 | C12 | C13 | 179.6° | 174.4° |
C10 | C09 | C05 | H10 | 31.1° | 25.7° |
C10 | C09 | C08 | H13 | 30.5° | 93.5° |
C10 | C09 | C08 | H14 | 91.0° | 27.9° |
C01 | N02 | C03 | C04 | 179.3° | 163.1° |
C01 | N02 | C03 | C16 | 63.1° | 52.0° |
N02 | C01 | H4 | H5 | 120.0° | 120.0° |
N02 | C01 | H4 | H6 | 120.0° | 120.0° |
N02 | C01 | H5 | H6 | 120.0° | 120.0° |
C01 | N02 | C03 | H7 | 60.0° | 73.3° |
N02 | C03 | C04 | C16 | 112.3° | 110.8° |
N02 | C03 | C04 | H7 | 116.8° | 123.8° |
N02 | C03 | C16 | H7 | 122.3° | 125.4° |
N02 | C03 | C16 | C12 | 35.4° | 30.8° |
N02 | C03 | C16 | C15 | 145.1° | 149.0° |
C03 | N02 | C01 | H4 | 57.1° | 175.2° |
C03 | N02 | C01 | H5 | 62.9° | 64.8° |
C03 | N02 | C01 | H6 | 177.1° | 55.2° |
N02 | C03 | C04 | H8 | 87.1° | 148.4° |
N02 | C03 | C04 | H9 | 153.5° | 89.4° |
C04 | C03 | C16 | H7 | 132.7° | 125.4° |
C04 | C03 | C16 | C12 | 69.6° | 78.4° |
C04 | C03 | C16 | C15 | 109.9° | 101.9° |
C03 | C04 | H8 | H9 | 119.0° | 122.2° |
C03 | C04 | C05 | H10 | 113.2° | 117.5° |
C03 | C16 | C12 | C10 | 0.1° | 0.2° |
C03 | C16 | C12 | C15 | 179.6° | 179.8° |
C03 | C16 | C12 | C13 | 179.7° | 179.8° |
C03 | C16 | C15 | N14 | 179.8° | 180.0° |
C03 | C16 | C15 | H2 | 0.2° | 0.3° |
C16 | C03 | C04 | H8 | 160.5° | 37.6° |
C16 | C03 | C04 | H9 | 41.2° | 159.8° |
O11 | C10 | C12 | C16 | 178.4° | 174.7° |
O11 | C10 | C12 | C13 | 1.4° | 5.3° |
C10 | C12 | C16 | C13 | 179.9° | 180.0° |
C10 | C12 | C16 | C15 | 179.7° | 180.0° |
C10 | C12 | C13 | N14 | 179.9° | 179.8° |
C10 | C12 | C13 | H1 | 0.1° | 0.1° |
C12 | C16 | C15 | N14 | 0.3° | 0.2° |
C16 | C12 | C13 | N14 | 0.1° | 0.2° |
C16 | C12 | C13 | H1 | 179.9° | 179.9° |
C12 | C16 | C15 | H2 | 179.7° | 179.9° |
C12 | C16 | C03 | H7 | 157.7° | 156.2° |
C15 | C16 | C12 | C13 | 0.1° | 0.0° |
C16 | C15 | N14 | H2 | 180.0° | 179.7° |
C16 | C15 | N14 | C13 | 0.4° | 0.4° |
C15 | C16 | C03 | H7 | 22.8° | 23.6° |
C16 | C15 | N14 | H16 | 179.6° | 179.8° |
C12 | C13 | N14 | C15 | 0.3° | 0.4° |
C12 | C13 | N14 | H1 | 180.0° | 179.7° |
C12 | C13 | N14 | H16 | 179.7° | 179.8° |
C15 | N14 | C13 | H16 | 180.0° | 179.9° |
C15 | N14 | C13 | H1 | 179.7° | 180.0° |
C13 | N14 | C15 | H2 | 179.6° | 180.0° |
H1 | C13 | N14 | H16 | 0.3° | 0.1° |
H2 | C15 | N14 | H16 | 0.4° | 0.1° |
H4 | C01 | H5 | H6 | 119.9° | 120.0° |
H7 | C03 | C04 | H8 | 29.6° | 87.8° |
H7 | C03 | C04 | H9 | 89.8° | 34.4° |
H8 | C04 | C05 | H10 | 126.5° | 1.0° |
H9 | C04 | C05 | H10 | 7.1° | 124.1° |
H10 | C05 | C06 | H11 | 128.5° | 13.3° |
H10 | C05 | C06 | H12 | 7.4° | 133.9° |