GV6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N15 | C6 | sing | 1.38Å | 1.34Å | |
N1 | C6 | doub | 1.33Å | 1.35Å | Aromatic |
N1 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
C6 | C5 | sing | 1.41Å | 1.41Å | Aromatic |
C2 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
C5 | C4 | doub | 1.41Å | 1.39Å | Aromatic |
C5 | N9 | sing | 1.35Å | 1.39Å | Aromatic |
N3 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
C4 | N7 | sing | 1.37Å | 1.37Å | Aromatic |
N9 | C8 | doub | 1.30Å | 1.31Å | Aromatic |
C8 | N7 | sing | 1.36Å | 1.37Å | Aromatic |
N7 | C10 | sing | 1.46Å | 1.46Å | |
C10 | C11 | sing | 1.55Å | 1.53Å | |
C10 | O14 | sing | 1.44Å | 1.42Å | |
O21 | C11 | sing | 1.43Å | 1.42Å | |
C11 | C12 | sing | 1.55Å | 1.52Å | |
O14 | C13 | sing | 1.44Å | 1.45Å | |
O22 | C12 | sing | 1.43Å | 1.42Å | |
O19 | P18 | doub | 1.48Å | 1.50Å | |
C12 | C13 | sing | 1.54Å | 1.53Å | |
C13 | C16 | sing | 1.53Å | 1.51Å | |
O17 | P18 | sing | 1.61Å | 1.58Å | |
O17 | C16 | sing | 1.43Å | 1.44Å | |
P18 | O23 | sing | 1.61Å | 1.47Å | |
P18 | O20 | sing | 1.61Å | 1.62Å | |
O26 | C24 | doub | 1.21Å | 1.20Å | |
O20 | C24 | sing | 1.34Å | 1.39Å | |
C24 | C25 | sing | 1.51Å | 1.53Å | |
C29 | C30 | sing | 1.53Å | 1.50Å | |
C29 | C28 | sing | 1.53Å | 1.53Å | |
C25 | C28 | sing | 1.53Å | 1.55Å | |
C25 | N27 | sing | 1.47Å | 1.45Å | |
C28 | C31 | sing | 1.53Å | 1.53Å | |
C2 | H1 | sing | 1.08Å | 1.08Å | |
C8 | H2 | sing | 1.08Å | 1.08Å | |
C10 | H3 | sing | 1.09Å | 1.10Å | |
C11 | H4 | sing | 1.09Å | 1.10Å | |
C12 | H5 | sing | 1.09Å | 1.10Å | |
C13 | H6 | sing | 1.09Å | 1.10Å | |
N15 | H7 | sing | 0.97Å | 1.00Å | |
N15 | H8 | sing | 0.97Å | 1.00Å | |
C16 | H9 | sing | 1.09Å | 1.10Å | |
C16 | H10 | sing | 1.09Å | 1.10Å | |
O21 | H11 | sing | 0.97Å | 0.95Å | |
O22 | H12 | sing | 0.97Å | 0.95Å | |
O23 | H13 | sing | 0.97Å | 0.95Å | |
C25 | H14 | sing | 1.09Å | 1.10Å | |
N27 | H15 | sing | 1.01Å | 1.00Å | |
N27 | H16 | sing | 1.01Å | 1.00Å | |
C28 | H18 | sing | 1.09Å | 1.10Å | |
C29 | H19 | sing | 1.09Å | 1.10Å | |
C29 | H20 | sing | 1.09Å | 1.10Å | |
C30 | H21 | sing | 1.09Å | 1.10Å | |
C30 | H22 | sing | 1.09Å | 1.10Å | |
C30 | H23 | sing | 1.09Å | 1.10Å | |
C31 | H24 | sing | 1.09Å | 1.10Å | |
C31 | H25 | sing | 1.09Å | 1.10Å | |
C31 | H26 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N15 | C6 | N1 | 118.5° | 120.8° |
N15 | C6 | C5 | 123.8° | 120.7° |
C6 | N15 | H7 | 109.5° | 120.0° |
C6 | N15 | H8 | 109.5° | 120.0° |
C6 | N1 | C2 | 118.7° | 121.2° |
N1 | C6 | C5 | 117.7° | 118.5° |
N1 | C2 | N3 | 128.8° | 122.5° |
N1 | C2 | H1 | 115.6° | 118.8° |
C6 | C5 | C4 | 116.9° | 118.2° |
C6 | C5 | N9 | 132.4° | 134.7° |
C2 | N3 | C4 | 111.1° | 120.6° |
N3 | C2 | H1 | 115.6° | 118.7° |
C4 | C5 | N9 | 110.7° | 107.1° |
C5 | C4 | N3 | 126.7° | 119.1° |
C5 | C4 | N7 | 105.8° | 106.0° |
C5 | N9 | C8 | 103.7° | 109.4° |
N3 | C4 | N7 | 127.4° | 134.9° |
C4 | N7 | C8 | 105.6° | 107.5° |
C4 | N7 | C10 | 126.7° | 126.3° |
N9 | C8 | N7 | 114.1° | 110.0° |
N9 | C8 | H2 | 123.0° | 125.0° |
C8 | N7 | C10 | 127.6° | 126.2° |
N7 | C8 | H2 | 122.9° | 125.1° |
N7 | C10 | C11 | 114.3° | 110.6° |
N7 | C10 | O14 | 109.0° | 110.6° |
N7 | C10 | H3 | 109.4° | 110.5° |
C11 | C10 | O14 | 105.4° | 103.5° |
C10 | C11 | O21 | 112.2° | 110.9° |
C10 | C11 | C12 | 99.5° | 102.1° |
C11 | C10 | H3 | 108.5° | 110.6° |
C10 | C11 | H4 | 110.1° | 110.9° |
C10 | O14 | C13 | 109.0° | 107.0° |
O14 | C10 | H3 | 110.0° | 110.7° |
O21 | C11 | C12 | 112.8° | 110.9° |
O21 | C11 | H4 | 111.6° | 110.8° |
C11 | O21 | H11 | 109.5° | 114.0° |
C11 | C12 | O22 | 109.7° | 110.5° |
C11 | C12 | C13 | 102.1° | 104.2° |
C12 | C11 | H4 | 110.1° | 110.9° |
C11 | C12 | H5 | 111.0° | 110.5° |
O14 | C13 | C12 | 105.7° | 107.3° |
O14 | C13 | C16 | 109.5° | 109.9° |
O14 | C13 | H6 | 109.3° | 110.0° |
O22 | C12 | C13 | 110.3° | 110.5° |
O22 | C12 | H5 | 112.5° | 110.6° |
C12 | O22 | H12 | 109.5° | 114.0° |
O19 | P18 | O17 | 107.0° | 109.4° |
O19 | P18 | O23 | 118.8° | 109.5° |
O19 | P18 | O20 | 107.1° | 109.5° |
C12 | C13 | C16 | 115.4° | 109.9° |
C13 | C12 | H5 | 110.8° | 110.5° |
C12 | C13 | H6 | 108.2° | 109.9° |
C13 | C16 | O17 | 108.6° | 109.5° |
C16 | C13 | H6 | 108.5° | 109.8° |
C13 | C16 | H9 | 109.7° | 109.5° |
C13 | C16 | H10 | 109.7° | 109.4° |
P18 | O17 | C16 | 122.8° | 123.1° |
O17 | P18 | O23 | 111.8° | 109.5° |
O17 | P18 | O20 | 104.2° | 109.5° |
O17 | C16 | H9 | 109.7° | 109.5° |
O17 | C16 | H10 | 109.7° | 109.5° |
O23 | P18 | O20 | 106.9° | 109.5° |
P18 | O23 | H13 | 109.5° | 114.0° |
P18 | O20 | C24 | 135.0° | 117.0° |
O26 | C24 | O20 | 119.1° | 120.0° |
O26 | C24 | C25 | 123.8° | 120.0° |
O20 | C24 | C25 | 117.1° | 120.0° |
C24 | C25 | C28 | 111.4° | 109.5° |
C24 | C25 | N27 | 110.8° | 109.5° |
C24 | C25 | H14 | 106.4° | 109.4° |
C30 | C29 | C28 | 115.0° | 109.5° |
C30 | C29 | H19 | 108.1° | 109.5° |
C30 | C29 | H20 | 108.1° | 109.5° |
C29 | C30 | H21 | 109.5° | 109.5° |
C29 | C30 | H22 | 109.5° | 109.5° |
C29 | C30 | H23 | 109.5° | 109.5° |
C29 | C28 | C25 | 111.9° | 109.5° |
C29 | C28 | C31 | 112.0° | 109.5° |
C29 | C28 | H18 | 107.4° | 109.4° |
C28 | C29 | H19 | 108.1° | 109.4° |
C28 | C29 | H20 | 108.1° | 109.5° |
C28 | C25 | N27 | 113.9° | 109.5° |
C25 | C28 | C31 | 110.6° | 109.5° |
C28 | C25 | H14 | 106.3° | 109.5° |
C25 | C28 | H18 | 107.3° | 109.5° |
N27 | C25 | H14 | 107.4° | 109.4° |
C25 | N27 | H15 | 109.5° | 111.0° |
C25 | N27 | H16 | 109.5° | 111.0° |
C31 | C28 | H18 | 107.4° | 109.4° |
C28 | C31 | H24 | 109.5° | 109.4° |
C28 | C31 | H25 | 109.4° | 109.5° |
C28 | C31 | H26 | 109.5° | 109.4° |
H7 | N15 | H8 | 109.5° | 120.0° |
H9 | C16 | H10 | 109.4° | 109.5° |
H15 | N27 | H16 | 109.5° | 111.0° |
H19 | C29 | H20 | 109.4° | 109.4° |
H21 | C30 | H22 | 109.5° | 109.5° |
H21 | C30 | H23 | 109.5° | 109.4° |
H22 | C30 | H23 | 109.4° | 109.5° |
H24 | C31 | H25 | 109.5° | 109.5° |
H24 | C31 | H26 | 109.5° | 109.5° |
H25 | C31 | H26 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N15 | C6 | N1 | C5 | 178.8° | 180.0° |
N15 | C6 | N1 | C2 | 178.2° | 180.0° |
N15 | C6 | C5 | C4 | 178.4° | 180.0° |
N15 | C6 | C5 | N9 | 0.7° | 0.0° |
C6 | N15 | H7 | H8 | 120.0° | 180.0° |
C6 | N1 | C2 | N3 | 0.9° | 0.0° |
N1 | C6 | C5 | C4 | 0.4° | 0.0° |
N1 | C6 | C5 | N9 | 179.5° | 180.0° |
C6 | N1 | C2 | H1 | 179.1° | 180.0° |
N1 | C6 | N15 | H7 | 0.0° | 0.0° |
N1 | C6 | N15 | H8 | 120.0° | 180.0° |
C2 | N1 | C6 | C5 | 0.7° | 0.0° |
N1 | C2 | N3 | H1 | 180.0° | 180.0° |
N1 | C2 | N3 | C4 | 0.7° | 0.0° |
C6 | C5 | C4 | N9 | 179.3° | 180.0° |
C6 | C5 | C4 | N3 | 0.3° | 0.0° |
C6 | C5 | C4 | N7 | 179.1° | 180.0° |
C6 | C5 | N9 | C8 | 179.0° | 180.0° |
C5 | C6 | N15 | H7 | 178.7° | 180.0° |
C5 | C6 | N15 | H8 | 58.7° | 0.0° |
C2 | N3 | C4 | C5 | 0.4° | 0.0° |
C2 | N3 | C4 | N7 | 178.9° | 180.0° |
C5 | C4 | N3 | N7 | 179.3° | 179.9° |
C4 | C5 | N9 | C8 | 0.2° | 0.0° |
C5 | C4 | N7 | C8 | 0.1° | 0.0° |
C5 | C4 | N7 | C10 | 178.6° | 180.0° |
N9 | C5 | C4 | N3 | 179.6° | 180.0° |
N9 | C5 | C4 | N7 | 0.2° | 0.0° |
C5 | N9 | C8 | N7 | 0.1° | 0.0° |
C5 | N9 | C8 | H2 | 179.9° | 180.0° |
N3 | C4 | N7 | C8 | 179.5° | 180.0° |
N3 | C4 | N7 | C10 | 2.0° | 0.1° |
C4 | N3 | C2 | H1 | 179.3° | 180.0° |
C4 | N7 | C8 | N9 | 0.0° | 0.0° |
C4 | N7 | C8 | C10 | 178.5° | 180.0° |
C4 | N7 | C10 | C11 | 117.3° | 85.0° |
C4 | N7 | C10 | O14 | 125.0° | 160.9° |
C4 | N7 | C8 | H2 | 180.0° | 180.0° |
C4 | N7 | C10 | H3 | 4.7° | 37.9° |
N9 | C8 | N7 | H2 | 180.0° | 180.0° |
N9 | C8 | N7 | C10 | 178.5° | 180.0° |
C8 | N7 | C10 | C11 | 60.9° | 95.1° |
C8 | N7 | C10 | O14 | 56.8° | 19.0° |
C8 | N7 | C10 | H3 | 177.1° | 142.1° |
N7 | C10 | C11 | O14 | 119.7° | 118.5° |
N7 | C10 | C11 | H3 | 122.5° | 122.8° |
N7 | C10 | O14 | H3 | 120.0° | 122.9° |
N7 | C10 | C11 | O21 | 80.3° | 86.3° |
N7 | C10 | C11 | C12 | 160.2° | 155.5° |
N7 | C10 | O14 | C13 | 148.2° | 158.6° |
C10 | N7 | C8 | H2 | 1.5° | 0.0° |
N7 | C10 | C11 | H4 | 44.6° | 37.4° |
C11 | C10 | O14 | H3 | 116.8° | 118.6° |
C10 | C11 | O21 | C12 | 111.4° | 112.7° |
C10 | C11 | O21 | H4 | 124.1° | 123.7° |
C10 | C11 | C12 | H4 | 115.6° | 118.2° |
C11 | C10 | O14 | C13 | 25.0° | 40.0° |
C10 | C11 | C12 | O22 | 77.3° | 97.8° |
C10 | C11 | C12 | C13 | 39.6° | 20.8° |
C10 | C11 | C12 | H5 | 157.8° | 139.5° |
C10 | C11 | O21 | H11 | 180.0° | 180.0° |
O14 | C10 | C11 | O21 | 160.0° | 155.2° |
O14 | C10 | C11 | C12 | 40.5° | 37.0° |
C10 | O14 | C13 | C12 | 1.2° | 26.5° |
C10 | O14 | C13 | C16 | 123.8° | 145.9° |
O14 | C10 | C11 | H4 | 75.1° | 81.2° |
C10 | O14 | C13 | H6 | 117.5° | 93.0° |
O21 | C11 | C12 | H4 | 125.3° | 123.6° |
O21 | C11 | C12 | O22 | 41.7° | 20.4° |
O21 | C11 | C12 | C13 | 158.7° | 139.1° |
O21 | C11 | C10 | H3 | 42.1° | 36.6° |
O21 | C11 | C12 | H5 | 83.1° | 102.2° |
C11 | C12 | C13 | O14 | 26.6° | 2.0° |
C11 | C12 | O22 | C13 | 111.7° | 114.7° |
C11 | C12 | O22 | H5 | 124.0° | 122.6° |
C11 | C12 | C13 | H5 | 118.3° | 118.7° |
C11 | C12 | C13 | C16 | 94.6° | 121.5° |
C12 | C11 | C10 | H3 | 77.3° | 81.6° |
C11 | C12 | C13 | H6 | 143.6° | 117.5° |
C12 | C11 | O21 | H11 | 68.6° | 67.3° |
C11 | C12 | O22 | H12 | 180.0° | 61.4° |
O14 | C13 | C12 | O22 | 90.0° | 120.7° |
O14 | C13 | C12 | C16 | 121.1° | 119.5° |
O14 | C13 | C12 | H6 | 117.1° | 119.6° |
O14 | C13 | C16 | H6 | 119.3° | 121.2° |
O14 | C13 | C16 | O17 | 60.3° | 67.1° |
C13 | O14 | C10 | H3 | 91.8° | 78.5° |
O14 | C13 | C12 | H5 | 144.8° | 116.6° |
O14 | C13 | C16 | H9 | 59.6° | 172.8° |
O14 | C13 | C16 | H10 | 179.9° | 52.8° |
O22 | C12 | C13 | H5 | 125.2° | 122.7° |
O22 | C12 | C13 | C16 | 148.9° | 119.8° |
O22 | C12 | C11 | H4 | 167.1° | 144.0° |
O22 | C12 | C13 | H6 | 27.1° | 1.1° |
O19 | P18 | O17 | O23 | 131.7° | 120.0° |
O19 | P18 | O17 | O20 | 113.2° | 120.0° |
O19 | P18 | O17 | C16 | 171.4° | 55.0° |
O19 | P18 | O23 | O20 | 121.2° | 120.0° |
O19 | P18 | O20 | C24 | 41.8° | 55.0° |
O19 | P18 | O23 | H13 | 0.0° | 180.0° |
C12 | C13 | C16 | H6 | 121.7° | 121.0° |
C12 | C13 | C16 | O17 | 58.8° | 175.0° |
C13 | C12 | C11 | H4 | 76.0° | 97.3° |
C12 | C13 | C16 | H9 | 178.7° | 55.0° |
C12 | C13 | C16 | H10 | 61.1° | 65.0° |
C13 | C12 | O22 | H12 | 68.3° | 176.2° |
C13 | C16 | O17 | P18 | 179.6° | 180.0° |
C13 | C16 | O17 | H9 | 119.9° | 120.0° |
C13 | C16 | O17 | H10 | 119.9° | 120.0° |
C16 | C13 | C12 | H5 | 23.7° | 2.8° |
C13 | C16 | H9 | H10 | 120.4° | 120.0° |
O17 | P18 | O23 | O20 | 113.4° | 120.0° |
O17 | P18 | O20 | C24 | 71.4° | 175.0° |
P18 | O17 | C16 | H9 | 60.5° | 60.0° |
P18 | O17 | C16 | H10 | 59.7° | 60.0° |
O17 | P18 | O23 | H13 | 125.4° | 60.0° |
C16 | O17 | P18 | O23 | 39.6° | 65.0° |
C16 | O17 | P18 | O20 | 75.4° | 175.0° |
O17 | C16 | C13 | H6 | 179.6° | 54.0° |
O17 | C16 | H9 | H10 | 120.4° | 120.0° |
O23 | P18 | O20 | C24 | 170.2° | 65.0° |
P18 | O20 | C24 | O26 | 2.1° | 0.0° |
P18 | O20 | C24 | C25 | 176.6° | 180.0° |
O20 | P18 | O23 | H13 | 121.2° | 60.0° |
O26 | C24 | O20 | C25 | 178.6° | 180.0° |
O26 | C24 | C25 | C28 | 70.5° | 100.0° |
O26 | C24 | C25 | N27 | 161.5° | 20.0° |
O26 | C24 | C25 | H14 | 45.0° | 140.0° |
O20 | C24 | C25 | C28 | 108.0° | 80.0° |
O20 | C24 | C25 | N27 | 20.0° | 160.0° |
O20 | C24 | C25 | H14 | 136.5° | 40.0° |
C24 | C25 | C28 | C29 | 50.0° | 180.0° |
C24 | C25 | C28 | N27 | 126.3° | 120.0° |
C24 | C25 | C28 | H14 | 115.6° | 120.0° |
C24 | C25 | N27 | H14 | 115.9° | 119.9° |
C24 | C25 | C28 | C31 | 175.6° | 60.0° |
C24 | C25 | N27 | H15 | 180.0° | 60.0° |
C24 | C25 | N27 | H16 | 60.0° | 176.0° |
C24 | C25 | C28 | H18 | 67.6° | 60.0° |
C30 | C29 | C28 | H19 | 120.8° | 120.0° |
C30 | C29 | C28 | H20 | 120.9° | 120.1° |
C30 | C29 | C28 | C25 | 172.8° | 175.0° |
C30 | C29 | C28 | C31 | 62.3° | 65.0° |
C30 | C29 | C28 | H18 | 55.4° | 55.0° |
C30 | C29 | H19 | H20 | 117.5° | 120.1° |
C29 | C30 | H21 | H22 | 120.0° | 120.0° |
C29 | C30 | H21 | H23 | 120.0° | 120.0° |
C29 | C30 | H22 | H23 | 120.0° | 120.1° |
C29 | C28 | C25 | C31 | 125.6° | 120.0° |
C29 | C28 | C25 | H18 | 117.5° | 120.0° |
C29 | C28 | C25 | N27 | 76.4° | 60.0° |
C29 | C28 | C31 | H18 | 117.7° | 119.9° |
C29 | C28 | C25 | H14 | 165.5° | 60.0° |
C28 | C29 | H19 | H20 | 117.5° | 119.9° |
C28 | C29 | C30 | H21 | 180.0° | 180.0° |
C28 | C29 | C30 | H22 | 60.0° | 60.0° |
C28 | C29 | C30 | H23 | 60.0° | 60.1° |
C29 | C28 | C31 | H24 | 180.0° | 60.0° |
C29 | C28 | C31 | H25 | 60.0° | 59.9° |
C29 | C28 | C31 | H26 | 60.0° | 180.0° |
C28 | C25 | N27 | H14 | 117.5° | 120.0° |
C25 | C28 | C31 | H18 | 116.7° | 120.0° |
C28 | C25 | N27 | H15 | 53.4° | 60.1° |
C28 | C25 | N27 | H16 | 173.4° | 63.9° |
C25 | C28 | C29 | H19 | 52.0° | 65.0° |
C25 | C28 | C29 | H20 | 66.3° | 55.0° |
C25 | C28 | C31 | H24 | 54.4° | 60.0° |
C25 | C28 | C31 | H25 | 65.5° | 180.0° |
C25 | C28 | C31 | H26 | 174.4° | 60.0° |
N27 | C25 | C28 | C31 | 49.3° | 180.0° |
C25 | N27 | H15 | H16 | 120.0° | 124.0° |
N27 | C25 | C28 | H18 | 166.1° | 60.0° |
C31 | C28 | C25 | H14 | 68.8° | 60.0° |
C31 | C28 | C29 | H19 | 176.8° | 55.1° |
C31 | C28 | C29 | H20 | 58.5° | 175.0° |
C28 | C31 | H24 | H25 | 120.0° | 120.0° |
C28 | C31 | H24 | H26 | 120.0° | 120.0° |
C28 | C31 | H25 | H26 | 120.0° | 120.0° |
H3 | C10 | C11 | H4 | 167.1° | 160.2° |
H4 | C11 | C12 | H5 | 42.2° | 21.4° |
H4 | C11 | O21 | H11 | 55.9° | 56.3° |
H5 | C12 | C13 | H6 | 98.1° | 123.8° |
H5 | C12 | O22 | H12 | 56.0° | 61.2° |
H6 | C13 | C16 | H9 | 59.7° | 66.0° |
H6 | C13 | C16 | H10 | 60.6° | 174.0° |
H14 | C25 | N27 | H15 | 64.1° | 179.9° |
H14 | C25 | N27 | H16 | 55.9° | 56.1° |
H14 | C25 | C28 | H18 | 48.0° | 180.0° |
H18 | C28 | C29 | H19 | 65.4° | 175.0° |
H18 | C28 | C29 | H20 | 176.2° | 65.1° |
H18 | C28 | C31 | H24 | 62.3° | 179.9° |
H18 | C28 | C31 | H25 | 177.7° | 60.0° |
H18 | C28 | C31 | H26 | 57.7° | 60.0° |
H19 | C29 | C30 | H21 | 59.2° | 60.0° |
H19 | C29 | C30 | H22 | 60.8° | 180.0° |
H19 | C29 | C30 | H23 | 179.2° | 59.9° |
H20 | C29 | C30 | H21 | 59.2° | 60.0° |
H20 | C29 | C30 | H22 | 179.2° | 60.0° |
H20 | C29 | C30 | H23 | 60.9° | 179.9° |
H21 | C30 | H22 | H23 | 120.0° | 119.9° |
H24 | C31 | H25 | H26 | 120.0° | 120.1° |