51P
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C'6 | C'1 | doub | 1.40Å | 1.40Å | Aromatic |
C'1 | C'2 | sing | 1.40Å | 1.40Å | Aromatic |
C'1 | C11 | sing | 1.47Å | 1.39Å | |
C'3 | C'2 | doub | 1.38Å | 1.39Å | Aromatic |
C'2 | O13 | sing | 1.36Å | 1.38Å | |
C'4 | C'3 | sing | 1.38Å | 1.39Å | Aromatic |
C'3 | H'3 | sing | 1.08Å | 1.08Å | |
C'5 | C'4 | doub | 1.38Å | 1.39Å | Aromatic |
C'4 | H'4 | sing | 1.08Å | 1.08Å | |
C'5 | C'6 | sing | 1.38Å | 1.38Å | Aromatic |
C'5 | H'5 | sing | 1.08Å | 1.08Å | |
C'6 | H'6 | sing | 1.08Å | 1.08Å | |
C8' | N1' | doub | 1.33Å | 1.33Å | Aromatic |
N1' | C2' | sing | 1.32Å | 1.30Å | Aromatic |
C10 | C11 | sing | 1.51Å | 1.57Å | |
C10 | H10 | sing | 1.09Å | 1.10Å | |
C10 | H10A | sing | 1.09Å | 1.10Å | |
C10 | H10B | sing | 1.09Å | 1.10Å | |
C11 | C9' | doub | 1.34Å | 1.51Å | |
C13 | O13 | sing | 1.43Å | 1.55Å | |
C13 | H13 | sing | 1.09Å | 1.10Å | |
C13 | H13A | sing | 1.09Å | 1.10Å | |
C13 | H13B | sing | 1.09Å | 1.10Å | |
N3' | C2' | doub | 1.33Å | 1.37Å | Aromatic |
C2' | N2' | sing | 1.38Å | 1.31Å | |
N2' | HN2' | sing | 0.97Å | 1.00Å | |
N2' | HN2A | sing | 0.97Å | 1.00Å | |
C4' | N3' | sing | 1.33Å | 1.34Å | Aromatic |
N4' | C4' | sing | 1.38Å | 1.37Å | |
C5' | C4' | doub | 1.40Å | 1.40Å | Aromatic |
N4' | HN4' | sing | 0.97Å | 1.00Å | |
N4' | HN4A | sing | 0.97Å | 1.00Å | |
C6' | C5' | sing | 1.47Å | 1.40Å | Aromatic |
C5' | C8' | sing | 1.40Å | 1.42Å | Aromatic |
C9' | C6' | sing | 1.47Å | 1.52Å | |
C6' | C7' | doub | 1.36Å | 1.34Å | Aromatic |
C7' | O8' | sing | 1.35Å | 1.38Å | Aromatic |
C7' | H7' | sing | 1.08Å | 1.08Å | |
O8' | C8' | sing | 1.34Å | 1.34Å | Aromatic |
C9' | H9' | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C'6 | C'1 | C'2 | 120.6° | 119.6° |
C'6 | C'1 | C11 | 121.4° | 120.2° |
C'1 | C'6 | C'5 | 119.1° | 119.9° |
C'1 | C'6 | H'6 | 120.5° | 120.0° |
C'2 | C'1 | C11 | 118.0° | 120.2° |
C'1 | C'2 | C'3 | 120.3° | 119.7° |
C'1 | C'2 | O13 | 118.2° | 120.1° |
C'1 | C11 | C10 | 119.4° | 120.0° |
C'1 | C11 | C9' | 127.2° | 120.0° |
C'3 | C'2 | O13 | 121.5° | 120.2° |
C'2 | C'3 | C'4 | 118.6° | 120.1° |
C'2 | C'3 | H'3 | 120.7° | 119.9° |
C'2 | O13 | C13 | 110.4° | 117.0° |
C'4 | C'3 | H'3 | 120.7° | 120.0° |
C'3 | C'4 | C'5 | 121.3° | 120.4° |
C'3 | C'4 | H'4 | 119.3° | 119.8° |
C'5 | C'4 | H'4 | 119.4° | 119.8° |
C'4 | C'5 | C'6 | 120.2° | 120.2° |
C'4 | C'5 | H'5 | 119.9° | 119.9° |
C'6 | C'5 | H'5 | 119.9° | 119.9° |
C'5 | C'6 | H'6 | 120.5° | 120.1° |
C8' | N1' | C2' | 120.5° | 120.7° |
N1' | C8' | C5' | 122.7° | 118.5° |
N1' | C8' | O8' | 128.0° | 134.0° |
N1' | C2' | N3' | 119.0° | 122.5° |
N1' | C2' | N2' | 117.1° | 118.8° |
C11 | C10 | H10 | 109.5° | 109.5° |
C11 | C10 | H10A | 109.5° | 109.4° |
C11 | C10 | H10B | 109.5° | 109.4° |
C10 | C11 | C9' | 113.3° | 120.0° |
H10 | C10 | H10A | 109.5° | 109.5° |
H10 | C10 | H10B | 109.5° | 109.5° |
H10A | C10 | H10B | 109.5° | 109.5° |
C11 | C9' | C6' | 122.7° | 120.0° |
C11 | C9' | H9' | 118.6° | 120.0° |
O13 | C13 | H13 | 109.5° | 109.5° |
O13 | C13 | H13A | 109.5° | 109.5° |
O13 | C13 | H13B | 109.5° | 109.5° |
H13 | C13 | H13A | 109.5° | 109.4° |
H13 | C13 | H13B | 109.5° | 109.4° |
H13A | C13 | H13B | 109.4° | 109.5° |
N3' | C2' | N2' | 123.9° | 118.8° |
C2' | N3' | C4' | 124.3° | 120.8° |
C2' | N2' | HN2' | 109.5° | 120.0° |
C2' | N2' | HN2A | 109.5° | 120.0° |
HN2' | N2' | HN2A | 109.4° | 120.0° |
N3' | C4' | N4' | 116.0° | 120.8° |
N3' | C4' | C5' | 117.0° | 118.4° |
N4' | C4' | C5' | 127.0° | 120.8° |
C4' | N4' | HN4' | 109.5° | 120.0° |
C4' | N4' | HN4A | 109.4° | 120.0° |
C4' | C5' | C6' | 138.7° | 135.3° |
C4' | C5' | C8' | 116.4° | 119.1° |
HN4' | N4' | HN4A | 109.5° | 120.0° |
C6' | C5' | C8' | 104.9° | 105.6° |
C5' | C6' | C9' | 124.7° | 127.1° |
C5' | C6' | C7' | 108.9° | 105.7° |
C5' | C8' | O8' | 109.3° | 107.6° |
C9' | C6' | C7' | 126.3° | 127.2° |
C6' | C9' | H9' | 118.6° | 120.0° |
C6' | C7' | O8' | 109.0° | 109.7° |
C6' | C7' | H7' | 125.5° | 125.2° |
O8' | C7' | H7' | 125.5° | 125.1° |
C7' | O8' | C8' | 107.9° | 111.3° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C'6 | C'1 | C'2 | C11 | 179.2° | 179.7° |
C'6 | C'1 | C'2 | C'3 | 0.0° | 0.3° |
C'6 | C'1 | C'2 | O13 | 178.8° | 179.7° |
C'1 | C'6 | C'5 | C'4 | 0.5° | 0.6° |
C'1 | C'6 | C'5 | H'6 | 180.0° | 179.4° |
C'1 | C'6 | C'5 | H'5 | 179.5° | 179.7° |
C'6 | C'1 | C11 | C10 | 83.4° | 108.0° |
C'6 | C'1 | C11 | C9' | 92.6° | 71.9° |
C'1 | C'2 | C'3 | O13 | 178.8° | 179.9° |
C'1 | C'2 | C'3 | C'4 | 0.7° | 0.0° |
C'1 | C'2 | C'3 | H'3 | 179.3° | 180.0° |
C'2 | C'1 | C'6 | C'5 | 0.1° | 0.6° |
C'2 | C'1 | C'6 | H'6 | 179.9° | 180.0° |
C'2 | C'1 | C11 | C10 | 95.8° | 72.3° |
C'2 | C'1 | C11 | C9' | 88.2° | 107.7° |
C'1 | C'2 | O13 | C13 | 170.3° | 180.0° |
C11 | C'1 | C'2 | C'3 | 179.2° | 180.0° |
C11 | C'1 | C'2 | O13 | 2.0° | 0.1° |
C11 | C'1 | C'6 | C'5 | 179.1° | 179.7° |
C11 | C'1 | C'6 | H'6 | 0.9° | 0.3° |
C'1 | C11 | C10 | C9' | 176.6° | 179.9° |
C'1 | C11 | C10 | H10 | 180.0° | 90.0° |
C'1 | C11 | C10 | H10A | 60.0° | 150.0° |
C'1 | C11 | C10 | H10B | 60.0° | 30.0° |
C'1 | C11 | C9' | C6' | 8.3° | 5.2° |
C'1 | C11 | C9' | H9' | 171.7° | 174.9° |
C'2 | C'3 | C'4 | H'3 | 180.0° | 180.0° |
C'2 | C'3 | C'4 | C'5 | 1.3° | 0.0° |
C'2 | C'3 | C'4 | H'4 | 178.7° | 180.0° |
C'3 | C'2 | O13 | C13 | 10.9° | 0.1° |
O13 | C'2 | C'3 | C'4 | 179.5° | 179.9° |
O13 | C'2 | C'3 | H'3 | 0.5° | 0.0° |
C'2 | O13 | C13 | H13 | 180.0° | 60.0° |
C'2 | O13 | C13 | H13A | 60.0° | 180.0° |
C'2 | O13 | C13 | H13B | 60.0° | 59.9° |
C'3 | C'4 | C'5 | H'4 | 180.0° | 180.0° |
C'3 | C'4 | C'5 | C'6 | 1.3° | 0.2° |
C'3 | C'4 | C'5 | H'5 | 178.7° | 180.0° |
H'3 | C'3 | C'4 | C'5 | 178.7° | 180.0° |
H'3 | C'3 | C'4 | H'4 | 1.3° | 0.0° |
C'4 | C'5 | C'6 | H'5 | 180.0° | 179.8° |
C'4 | C'5 | C'6 | H'6 | 179.5° | 180.0° |
H'4 | C'4 | C'5 | C'6 | 178.7° | 179.7° |
H'4 | C'4 | C'5 | H'5 | 1.3° | 0.1° |
H'5 | C'5 | C'6 | H'6 | 0.5° | 0.3° |
C8' | N1' | C2' | N3' | 1.5° | 0.0° |
C8' | N1' | C2' | N2' | 178.4° | 180.0° |
N1' | C8' | C5' | C4' | 0.6° | 0.0° |
N1' | C8' | C5' | C6' | 179.1° | 180.0° |
N1' | C8' | C5' | O8' | 177.8° | 180.0° |
N1' | C8' | O8' | C7' | 179.9° | 180.0° |
N1' | C2' | N3' | N2' | 179.9° | 179.9° |
N1' | C2' | N2' | HN2' | 0.0° | 0.1° |
N1' | C2' | N2' | HN2A | 120.0° | 180.0° |
N1' | C2' | N3' | C4' | 0.9° | 0.0° |
C2' | N1' | C8' | C5' | 0.7° | 0.0° |
C2' | N1' | C8' | O8' | 176.6° | 180.0° |
C11 | C10 | H10 | H10A | 120.0° | 120.0° |
C11 | C10 | H10 | H10B | 120.0° | 120.0° |
C11 | C10 | H10A | H10B | 120.0° | 119.9° |
C10 | C11 | C9' | C6' | 168.0° | 174.8° |
C10 | C11 | C9' | H9' | 12.0° | 5.1° |
H10 | C10 | H10A | H10B | 120.0° | 120.1° |
H10 | C10 | C11 | C9' | 3.4° | 90.0° |
H10A | C10 | C11 | C9' | 123.4° | 30.0° |
H10B | C10 | C11 | C9' | 116.6° | 150.0° |
C11 | C9' | C6' | C5' | 155.9° | 163.1° |
C11 | C9' | C6' | H9' | 180.0° | 179.9° |
C11 | C9' | C6' | C7' | 27.0° | 16.8° |
O13 | C13 | H13 | H13A | 120.0° | 120.0° |
O13 | C13 | H13 | H13B | 120.0° | 120.0° |
O13 | C13 | H13A | H13B | 120.0° | 120.1° |
H13 | C13 | H13A | H13B | 120.0° | 119.9° |
N3' | C2' | N2' | HN2' | 179.9° | 180.0° |
N3' | C2' | N2' | HN2A | 60.1° | 0.0° |
C2' | N3' | C4' | N4' | 179.6° | 180.0° |
C2' | N3' | C4' | C5' | 0.4° | 0.0° |
C2' | N2' | HN2' | HN2A | 120.0° | 180.0° |
N2' | C2' | N3' | C4' | 179.0° | 180.0° |
N3' | C4' | N4' | C5' | 180.0° | 180.0° |
N3' | C4' | N4' | HN4' | 0.0° | 0.0° |
N3' | C4' | N4' | HN4A | 120.0° | 180.0° |
N3' | C4' | C5' | C6' | 178.5° | 180.0° |
N3' | C4' | C5' | C8' | 1.2° | 0.0° |
C4' | N4' | HN4' | HN4A | 120.0° | 180.0° |
N4' | C4' | C5' | C6' | 1.4° | 0.0° |
N4' | C4' | C5' | C8' | 178.9° | 180.0° |
C5' | C4' | N4' | HN4' | 180.0° | 180.0° |
C5' | C4' | N4' | HN4A | 60.0° | 0.0° |
C4' | C5' | C6' | C8' | 179.7° | 180.0° |
C4' | C5' | C6' | C9' | 2.5° | 0.1° |
C4' | C5' | C6' | C7' | 180.0° | 180.0° |
C4' | C5' | C8' | O8' | 178.4° | 180.0° |
C5' | C6' | C9' | C7' | 177.0° | 179.9° |
C5' | C6' | C7' | O8' | 1.8° | 0.1° |
C5' | C6' | C7' | H7' | 178.2° | 180.0° |
C6' | C5' | C8' | O8' | 1.4° | 0.0° |
C5' | C6' | C9' | H9' | 24.1° | 17.0° |
C8' | C5' | C6' | C9' | 177.7° | 179.9° |
C8' | C5' | C6' | C7' | 0.3° | 0.0° |
C5' | C8' | O8' | C7' | 2.5° | 0.0° |
C9' | C6' | C7' | O8' | 179.2° | 179.9° |
C9' | C6' | C7' | H7' | 0.8° | 0.1° |
C6' | C7' | O8' | H7' | 180.0° | 180.0° |
C6' | C7' | O8' | C8' | 2.7° | 0.0° |
C7' | C6' | C9' | H9' | 152.9° | 163.1° |
H7' | C7' | O8' | C8' | 177.3° | 180.0° |