357
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.41Å | 1.43Å | Aromatic |
| C2 | O8 | doub | 1.22Å | 1.28Å | |
| C2 | N1 | sing | 1.35Å | 1.36Å | Aromatic |
| C3 | C4 | doub | 1.37Å | 1.44Å | Aromatic |
| C3 | N1' | sing | 1.40Å | 1.43Å | |
| C4 | C5 | sing | 1.40Å | 1.44Å | Aromatic |
| C4 | C7' | sing | 1.51Å | 1.55Å | |
| C5 | C10 | sing | 1.51Å | 1.55Å | |
| C5 | C6 | doub | 1.35Å | 1.43Å | Aromatic |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C11 | H113 | sing | 1.09Å | 1.11Å | |
| C1' | C7' | sing | 1.51Å | 1.55Å | |
| C1' | C6B | doub | 1.38Å | 1.41Å | Aromatic |
| C1' | C2B | sing | 1.38Å | 1.43Å | Aromatic |
| C7' | H7'1 | sing | 1.09Å | 1.12Å | |
| C7' | H7'2 | sing | 1.09Å | 1.11Å | |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C6 | N1 | sing | 1.36Å | 1.37Å | Aromatic |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C7 | H73 | sing | 1.09Å | 1.12Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| N1' | C6' | sing | 1.47Å | 1.46Å | |
| N1' | C2' | sing | 1.47Å | 1.50Å | |
| C6' | H6'1 | sing | 1.09Å | 1.11Å | |
| C6' | H6'2 | sing | 1.09Å | 1.11Å | |
| C6' | H6'3 | sing | 1.09Å | 1.11Å | |
| C2' | C3' | sing | 1.53Å | 1.55Å | |
| C2' | H2'1 | sing | 1.09Å | 1.11Å | |
| C2' | H2'2 | sing | 1.09Å | 1.11Å | |
| C3' | O4' | sing | 1.43Å | 1.32Å | |
| C3' | H3'1 | sing | 1.09Å | 1.11Å | |
| C3' | H3'2 | sing | 1.09Å | 1.11Å | |
| O4' | C5' | sing | 1.43Å | 1.32Å | |
| C5' | H5'1 | sing | 1.09Å | 1.12Å | |
| C5' | H5'2 | sing | 1.09Å | 1.12Å | |
| C5' | H5'3 | sing | 1.09Å | 1.12Å | |
| C6B | C5B | sing | 1.38Å | 1.42Å | Aromatic |
| C6B | H6' | sing | 1.08Å | 1.10Å | |
| C5B | C4' | doub | 1.38Å | 1.42Å | Aromatic |
| C5B | H5' | sing | 1.08Å | 1.10Å | |
| C4' | C3B | sing | 1.38Å | 1.42Å | Aromatic |
| C4' | H4' | sing | 1.08Å | 1.10Å | |
| C3B | C8' | sing | 1.51Å | 1.52Å | |
| C3B | C2B | doub | 1.38Å | 1.42Å | Aromatic |
| C8' | H8'1 | sing | 1.09Å | 1.11Å | |
| C8' | H8'2 | sing | 1.09Å | 1.11Å | |
| C8' | H8'3 | sing | 1.09Å | 1.12Å | |
| C2B | H2' | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | O8 | 120.9° | 120.0° |
| C3 | C2 | N1 | 120.2° | 120.0° |
| C2 | C3 | C4 | 118.7° | 119.2° |
| C2 | C3 | N1' | 121.5° | 120.4° |
| O8 | C2 | N1 | 118.9° | 120.0° |
| C2 | N1 | C6 | 123.0° | 120.7° |
| C2 | N1 | HN1 | 118.1° | 119.6° |
| C4 | C3 | N1' | 119.8° | 120.4° |
| C3 | C4 | C5 | 119.7° | 119.2° |
| C3 | C4 | C7' | 118.3° | 120.4° |
| C3 | N1' | C6' | 115.8° | 120.0° |
| C3 | N1' | C2' | 117.7° | 120.0° |
| C5 | C4 | C7' | 121.9° | 120.4° |
| C4 | C5 | C10 | 121.3° | 119.9° |
| C4 | C5 | C6 | 117.8° | 120.0° |
| C4 | C7' | C1' | 113.9° | 109.5° |
| C4 | C7' | H7'1 | 110.6° | 109.4° |
| C4 | C7' | H7'2 | 110.6° | 109.4° |
| C10 | C5 | C6 | 120.8° | 120.0° |
| C5 | C10 | C11 | 112.0° | 109.5° |
| C5 | C10 | H101 | 111.3° | 109.5° |
| C5 | C10 | H102 | 111.3° | 109.5° |
| C5 | C6 | C7 | 121.9° | 119.6° |
| C5 | C6 | N1 | 120.5° | 120.9° |
| C11 | C10 | H101 | 111.2° | 109.5° |
| C11 | C10 | H102 | 111.3° | 109.5° |
| C10 | C11 | H111 | 111.3° | 109.5° |
| C10 | C11 | H112 | 112.0° | 109.4° |
| C10 | C11 | H113 | 111.3° | 109.5° |
| H101 | C10 | H102 | 99.1° | 109.5° |
| H111 | C11 | H112 | 111.3° | 109.5° |
| H111 | C11 | H113 | 99.0° | 109.5° |
| H112 | C11 | H113 | 111.3° | 109.5° |
| C7' | C1' | C6B | 118.1° | 120.0° |
| C7' | C1' | C2B | 123.1° | 120.0° |
| C1' | C7' | H7'1 | 110.6° | 109.5° |
| C1' | C7' | H7'2 | 110.6° | 109.5° |
| C6B | C1' | C2B | 118.8° | 120.0° |
| C1' | C6B | C5B | 121.2° | 120.0° |
| C1' | C6B | H6' | 119.2° | 120.0° |
| C1' | C2B | C3B | 120.1° | 120.0° |
| C1' | C2B | H2' | 120.3° | 120.0° |
| H7'1 | C7' | H7'2 | 99.7° | 109.5° |
| C7 | C6 | N1 | 117.6° | 119.6° |
| C6 | C7 | H71 | 107.8° | 109.5° |
| C6 | C7 | H72 | 121.9° | 109.4° |
| C6 | C7 | H73 | 107.7° | 109.5° |
| C6 | N1 | HN1 | 118.9° | 119.6° |
| H71 | C7 | H72 | 107.8° | 109.5° |
| H71 | C7 | H73 | 102.1° | 109.5° |
| H72 | C7 | H73 | 107.8° | 109.4° |
| C6' | N1' | C2' | 104.7° | 120.0° |
| N1' | C6' | H6'1 | 109.9° | 109.4° |
| N1' | C6' | H6'2 | 115.8° | 109.5° |
| N1' | C6' | H6'3 | 109.9° | 109.5° |
| N1' | C2' | C3' | 111.4° | 109.5° |
| N1' | C2' | H2'1 | 111.5° | 109.4° |
| N1' | C2' | H2'2 | 111.5° | 109.5° |
| H6'1 | C6' | H6'2 | 109.9° | 109.5° |
| H6'1 | C6' | H6'3 | 100.3° | 109.4° |
| H6'2 | C6' | H6'3 | 109.9° | 109.5° |
| C3' | C2' | H2'1 | 111.5° | 109.5° |
| C3' | C2' | H2'2 | 111.5° | 109.5° |
| C2' | C3' | O4' | 109.8° | 109.4° |
| C2' | C3' | H3'1 | 112.1° | 109.5° |
| C2' | C3' | H3'2 | 112.1° | 109.5° |
| H2'1 | C2' | H2'2 | 98.9° | 109.5° |
| O4' | C3' | H3'1 | 112.1° | 109.5° |
| O4' | C3' | H3'2 | 112.1° | 109.5° |
| C3' | O4' | C5' | 130.4° | 106.8° |
| H3'1 | C3' | H3'2 | 98.3° | 109.5° |
| O4' | C5' | H5'1 | 104.9° | 109.4° |
| O4' | C5' | H5'2 | 130.5° | 109.5° |
| O4' | C5' | H5'3 | 104.9° | 109.5° |
| H5'1 | C5' | H5'2 | 104.9° | 109.5° |
| H5'1 | C5' | H5'3 | 104.2° | 109.5° |
| H5'2 | C5' | H5'3 | 104.9° | 109.5° |
| C5B | C6B | H6' | 119.6° | 120.0° |
| C6B | C5B | C4' | 119.8° | 120.0° |
| C6B | C5B | H5' | 120.1° | 120.0° |
| C4' | C5B | H5' | 120.1° | 119.9° |
| C5B | C4' | C3B | 120.0° | 120.0° |
| C5B | C4' | H4' | 120.0° | 120.0° |
| C3B | C4' | H4' | 120.1° | 120.0° |
| C4' | C3B | C8' | 119.8° | 120.0° |
| C4' | C3B | C2B | 120.1° | 120.0° |
| C8' | C3B | C2B | 120.1° | 120.0° |
| C3B | C8' | H8'1 | 108.5° | 109.5° |
| C3B | C8' | H8'2 | 119.9° | 109.4° |
| C3B | C8' | H8'3 | 108.5° | 109.4° |
| C3B | C2B | H2' | 119.6° | 120.0° |
| H8'1 | C8' | H8'2 | 108.5° | 109.5° |
| H8'1 | C8' | H8'3 | 101.5° | 109.5° |
| H8'2 | C8' | H8'3 | 108.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | O8 | N1 | 179.1° | 180.0° |
| C2 | C3 | C4 | N1' | 178.9° | 179.8° |
| C2 | C3 | C4 | C5 | 1.4° | 0.5° |
| C2 | C3 | C4 | C7' | 179.7° | 180.0° |
| C3 | C2 | N1 | C6 | 0.9° | 0.0° |
| C3 | C2 | N1 | HN1 | 179.1° | 180.0° |
| C2 | C3 | N1' | C6' | 75.5° | 66.2° |
| C2 | C3 | N1' | C2' | 49.5° | 113.7° |
| O8 | C2 | C3 | C4 | 179.9° | 179.7° |
| O8 | C2 | C3 | N1' | 1.0° | 0.1° |
| O8 | C2 | N1 | C6 | 180.0° | 180.0° |
| O8 | C2 | N1 | HN1 | 0.0° | 0.1° |
| N1 | C2 | C3 | C4 | 1.0° | 0.2° |
| N1 | C2 | C3 | N1' | 179.9° | 180.0° |
| C2 | N1 | C6 | C5 | 1.1° | 0.0° |
| C2 | N1 | C6 | C7 | 179.8° | 180.0° |
| C2 | N1 | C6 | HN1 | 180.0° | 180.0° |
| C3 | C4 | C5 | C7' | 178.9° | 179.5° |
| C3 | C4 | C5 | C10 | 179.1° | 179.8° |
| C3 | C4 | C5 | C6 | 1.6° | 0.5° |
| C3 | C4 | C7' | C1' | 105.2° | 93.1° |
| C3 | C4 | C7' | H7'1 | 20.0° | 146.9° |
| C3 | C4 | C7' | H7'2 | 129.5° | 26.9° |
| C4 | C3 | N1' | C6' | 105.6° | 113.5° |
| C4 | C3 | N1' | C2' | 129.4° | 66.5° |
| N1' | C3 | C4 | C5 | 179.7° | 179.7° |
| N1' | C3 | C4 | C7' | 0.7° | 0.2° |
| C3 | N1' | C6' | C2' | 131.4° | 180.0° |
| C3 | N1' | C6' | H6'1 | 54.7° | 5.4° |
| C3 | N1' | C6' | H6'2 | 180.0° | 125.4° |
| C3 | N1' | C6' | H6'3 | 54.7° | 114.5° |
| C3 | N1' | C2' | C3' | 63.0° | 95.5° |
| C3 | N1' | C2' | H2'1 | 62.3° | 144.5° |
| C3 | N1' | C2' | H2'2 | 171.7° | 24.5° |
| C4 | C5 | C10 | C6 | 179.2° | 179.7° |
| C4 | C5 | C10 | C11 | 98.0° | 85.1° |
| C4 | C5 | C10 | H101 | 27.3° | 154.9° |
| C4 | C5 | C10 | H102 | 136.8° | 34.9° |
| C5 | C4 | C7' | C1' | 75.8° | 87.4° |
| C5 | C4 | C7' | H7'1 | 158.9° | 32.6° |
| C5 | C4 | C7' | H7'2 | 49.4° | 152.6° |
| C4 | C5 | C6 | C7 | 179.5° | 179.7° |
| C4 | C5 | C6 | N1 | 1.5° | 0.3° |
| C7' | C4 | C5 | C10 | 0.3° | 0.3° |
| C7' | C4 | C5 | C6 | 179.5° | 180.0° |
| C4 | C7' | C1' | H7'1 | 125.3° | 120.0° |
| C4 | C7' | C1' | H7'2 | 125.3° | 120.0° |
| C4 | C7' | C1' | C6B | 154.0° | 97.9° |
| C4 | C7' | C1' | C2B | 25.9° | 82.4° |
| C4 | C7' | H7'1 | H7'2 | 116.4° | 119.9° |
| C5 | C10 | C11 | H101 | 125.3° | 120.0° |
| C5 | C10 | C11 | H102 | 125.2° | 120.0° |
| C5 | C10 | H101 | H102 | 117.2° | 120.0° |
| C5 | C10 | C11 | H111 | 54.7° | 60.0° |
| C5 | C10 | C11 | H112 | 180.0° | 60.0° |
| C5 | C10 | C11 | H113 | 54.8° | 180.0° |
| C10 | C5 | C6 | C7 | 0.3° | 0.0° |
| C10 | C5 | C6 | N1 | 179.3° | 180.0° |
| C6 | C5 | C10 | C11 | 81.2° | 95.2° |
| C6 | C5 | C10 | H101 | 153.5° | 24.8° |
| C6 | C5 | C10 | H102 | 44.0° | 144.8° |
| C5 | C6 | C7 | N1 | 179.1° | 180.0° |
| C5 | C6 | C7 | H71 | 54.8° | 90.0° |
| C5 | C6 | C7 | H72 | 180.0° | 150.0° |
| C5 | C6 | C7 | H73 | 54.7° | 30.0° |
| C5 | C6 | N1 | HN1 | 178.8° | 180.0° |
| C11 | C10 | H101 | H102 | 117.2° | 120.0° |
| C10 | C11 | H111 | H112 | 125.6° | 120.0° |
| C10 | C11 | H111 | H113 | 117.2° | 120.0° |
| C10 | C11 | H112 | H113 | 125.3° | 120.0° |
| H101 | C10 | C11 | H111 | 180.0° | 60.0° |
| H101 | C10 | C11 | H112 | 54.8° | 180.0° |
| H101 | C10 | C11 | H113 | 70.5° | 60.0° |
| H102 | C10 | C11 | H111 | 70.6° | 180.0° |
| H102 | C10 | C11 | H112 | 54.7° | 60.0° |
| H102 | C10 | C11 | H113 | 180.0° | 60.0° |
| H111 | C11 | H112 | H113 | 109.5° | 120.0° |
| C7' | C1' | C6B | C2B | 179.9° | 179.7° |
| C1' | C7' | H7'1 | H7'2 | 116.4° | 120.1° |
| C7' | C1' | C6B | C5B | 180.0° | 180.0° |
| C7' | C1' | C6B | H6' | 0.0° | 0.1° |
| C7' | C1' | C2B | C3B | 179.9° | 179.8° |
| C7' | C1' | C2B | H2' | 0.1° | 0.3° |
| C6B | C1' | C7' | H7'1 | 80.8° | 22.1° |
| C6B | C1' | C7' | H7'2 | 28.7° | 142.1° |
| C1' | C6B | C5B | H6' | 180.0° | 179.9° |
| C1' | C6B | C5B | C4' | 0.1° | 0.1° |
| C1' | C6B | C5B | H5' | 179.9° | 180.0° |
| C6B | C1' | C2B | C3B | 0.0° | 0.5° |
| C6B | C1' | C2B | H2' | 180.0° | 180.0° |
| C2B | C1' | C7' | H7'1 | 99.4° | 157.6° |
| C2B | C1' | C7' | H7'2 | 151.2° | 37.6° |
| C2B | C1' | C6B | C5B | 0.1° | 0.3° |
| C2B | C1' | C6B | H6' | 179.9° | 179.7° |
| C1' | C2B | C3B | C4' | 0.1° | 0.5° |
| C1' | C2B | C3B | C8' | 179.9° | 179.7° |
| C1' | C2B | C3B | H2' | 180.0° | 179.5° |
| C6 | C7 | H71 | H72 | 133.3° | 120.0° |
| C6 | C7 | H71 | H73 | 113.3° | 120.0° |
| C6 | C7 | H72 | H73 | 125.3° | 120.0° |
| C7 | C6 | N1 | HN1 | 0.2° | 0.0° |
| N1 | C6 | C7 | H71 | 126.2° | 90.0° |
| N1 | C6 | C7 | H72 | 0.9° | 30.1° |
| N1 | C6 | C7 | H73 | 124.3° | 150.0° |
| H71 | C7 | H72 | H73 | 109.5° | 120.0° |
| N1' | C6' | H6'1 | H6'2 | 128.6° | 120.0° |
| N1' | C6' | H6'1 | H6'3 | 115.7° | 120.0° |
| N1' | C6' | H6'2 | H6'3 | 125.2° | 120.1° |
| C6' | N1' | C2' | C3' | 166.7° | 84.5° |
| C6' | N1' | C2' | H2'1 | 68.0° | 35.5° |
| C6' | N1' | C2' | H2'2 | 41.4° | 155.5° |
| C2' | N1' | C6' | H6'1 | 76.7° | 174.6° |
| C2' | N1' | C6' | H6'2 | 48.6° | 54.6° |
| C2' | N1' | C6' | H6'3 | 173.8° | 65.5° |
| N1' | C2' | C3' | H2'1 | 125.3° | 120.0° |
| N1' | C2' | C3' | H2'2 | 125.3° | 120.0° |
| N1' | C2' | H2'1 | H2'2 | 117.4° | 120.0° |
| N1' | C2' | C3' | O4' | 179.7° | 65.0° |
| N1' | C2' | C3' | H3'1 | 55.0° | 175.0° |
| N1' | C2' | C3' | H3'2 | 54.4° | 55.0° |
| H6'1 | C6' | H6'2 | H6'3 | 109.5° | 120.0° |
| C3' | C2' | H2'1 | H2'2 | 117.4° | 120.0° |
| C2' | C3' | O4' | H3'1 | 125.3° | 120.0° |
| C2' | C3' | O4' | H3'2 | 125.3° | 120.0° |
| C2' | C3' | H3'1 | H3'2 | 118.0° | 120.0° |
| C2' | C3' | O4' | C5' | 179.8° | 180.0° |
| H2'1 | C2' | C3' | O4' | 54.4° | 55.0° |
| H2'1 | C2' | C3' | H3'1 | 179.7° | 65.0° |
| H2'1 | C2' | C3' | H3'2 | 70.9° | 175.0° |
| H2'2 | C2' | C3' | O4' | 55.0° | 175.0° |
| H2'2 | C2' | C3' | H3'1 | 70.3° | 55.0° |
| H2'2 | C2' | C3' | H3'2 | 179.7° | 65.0° |
| O4' | C3' | H3'1 | H3'2 | 118.0° | 120.0° |
| C3' | O4' | C5' | H5'1 | 54.7° | 60.0° |
| C3' | O4' | C5' | H5'2 | 180.0° | 60.0° |
| C3' | O4' | C5' | H5'3 | 54.7° | 180.0° |
| H3'1 | C3' | O4' | C5' | 55.0° | 60.0° |
| H3'2 | C3' | O4' | C5' | 54.5° | 60.0° |
| O4' | C5' | H5'1 | H5'2 | 140.0° | 120.0° |
| O4' | C5' | H5'1 | H5'3 | 110.0° | 120.0° |
| O4' | C5' | H5'2 | H5'3 | 125.3° | 120.1° |
| H5'1 | C5' | H5'2 | H5'3 | 109.5° | 120.0° |
| C6B | C5B | C4' | H5' | 180.0° | 179.9° |
| C6B | C5B | C4' | C3B | 0.1° | 0.0° |
| C6B | C5B | C4' | H4' | 179.9° | 180.0° |
| H6' | C6B | C5B | C4' | 180.0° | 180.0° |
| H6' | C6B | C5B | H5' | 0.0° | 0.1° |
| C5B | C4' | C3B | H4' | 180.0° | 180.0° |
| C5B | C4' | C3B | C8' | 180.0° | 180.0° |
| C5B | C4' | C3B | C2B | 0.2° | 0.2° |
| H5' | C5B | C4' | C3B | 179.9° | 180.0° |
| H5' | C5B | C4' | H4' | 0.1° | 0.0° |
| C4' | C3B | C8' | C2B | 179.8° | 179.8° |
| C4' | C3B | C8' | H8'1 | 54.8° | 90.0° |
| C4' | C3B | C8' | H8'2 | 180.0° | 150.0° |
| C4' | C3B | C8' | H8'3 | 54.7° | 30.1° |
| C4' | C3B | C2B | H2' | 179.9° | 180.0° |
| H4' | C4' | C3B | C8' | 0.0° | 0.0° |
| H4' | C4' | C3B | C2B | 179.8° | 179.8° |
| C3B | C8' | H8'1 | H8'2 | 131.7° | 120.0° |
| C3B | C8' | H8'1 | H8'3 | 114.2° | 120.0° |
| C3B | C8' | H8'2 | H8'3 | 125.3° | 119.9° |
| C8' | C3B | C2B | H2' | 0.1° | 0.2° |
| C2B | C3B | C8' | H8'1 | 125.0° | 89.8° |
| C2B | C3B | C8' | H8'2 | 0.2° | 30.2° |
| C2B | C3B | C8' | H8'3 | 125.5° | 150.2° |
| H8'1 | C8' | H8'2 | H8'3 | 109.5° | 120.1° |
