NM6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O4 | C4 | sing | 1.43Å | 1.40Å | |
C3A | C3B | sing | 1.53Å | 1.48Å | |
C3A | C3C | sing | 1.51Å | 1.30Å | |
C3A | O3 | sing | 1.43Å | 1.41Å | |
C1 | C2 | sing | 1.53Å | 1.49Å | |
C1 | O5 | sing | 1.43Å | 1.38Å | |
C1 | O1 | sing | 1.43Å | 1.42Å | |
C2 | C3 | sing | 1.53Å | 1.51Å | |
C2 | N2 | sing | 1.46Å | 1.38Å | |
C3C | N3A | sing | 1.35Å | 1.35Å | |
C3C | O3B | doub | 1.21Å | 1.21Å | |
C3 | C4 | sing | 1.53Å | 1.52Å | |
C3 | O3 | sing | 1.43Å | 1.34Å | |
C4 | C5 | sing | 1.53Å | 1.48Å | |
O7 | C7 | doub | 1.21Å | 1.14Å | |
C5 | C6 | sing | 1.53Å | 1.46Å | |
C5 | O5 | sing | 1.43Å | 1.40Å | |
C6 | O6 | sing | 1.43Å | 1.35Å | |
C7 | C8 | sing | 1.51Å | 1.46Å | |
C7 | N2 | sing | 1.35Å | 1.36Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C3A | HAQ | sing | 1.09Å | 1.10Å | |
C3B | HAT1 | sing | 1.09Å | 1.10Å | |
C3B | HAT2 | sing | 1.09Å | 1.10Å | |
C3B | HAT3 | sing | 1.09Å | 1.10Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
N2 | HN2 | sing | 0.97Å | 1.00Å | |
N3A | HAS1 | sing | 0.97Å | 1.00Å | |
N3A | HAS2 | sing | 0.97Å | 1.00Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
C8 | H81 | sing | 1.09Å | 1.10Å | |
C8 | H82 | sing | 1.09Å | 1.10Å | |
C8 | H83 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O4 | C4 | C3 | 111.1° | 109.5° |
O4 | C4 | C5 | 107.6° | 109.6° |
O4 | C4 | H4 | 112.3° | 109.5° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C3B | C3A | C3C | 105.1° | 109.4° |
C3B | C3A | O3 | 103.9° | 109.5° |
C3B | C3A | HAQ | 108.0° | 109.5° |
C3A | C3B | HAT1 | 109.5° | 109.4° |
C3A | C3B | HAT2 | 109.5° | 109.5° |
C3A | C3B | HAT3 | 109.5° | 109.5° |
C3C | C3A | O3 | 119.5° | 109.5° |
C3A | C3C | N3A | 114.5° | 120.0° |
C3A | C3C | O3B | 129.1° | 120.0° |
C3C | C3A | HAQ | 110.6° | 109.5° |
C3A | O3 | C3 | 117.7° | 114.0° |
O3 | C3A | HAQ | 108.9° | 109.5° |
C2 | C1 | O5 | 109.6° | 109.4° |
C2 | C1 | O1 | 112.1° | 109.5° |
C1 | C2 | C3 | 106.0° | 109.1° |
C1 | C2 | N2 | 106.0° | 109.5° |
C2 | C1 | H1 | 107.9° | 109.5° |
C1 | C2 | H2 | 110.9° | 109.5° |
O5 | C1 | O1 | 109.0° | 109.5° |
C1 | O5 | C5 | 117.9° | 114.1° |
O5 | C1 | H1 | 109.4° | 109.5° |
O1 | C1 | H1 | 108.8° | 109.4° |
C1 | O1 | HO1 | 109.5° | 114.0° |
C3 | C2 | N2 | 110.1° | 109.5° |
C2 | C3 | C4 | 109.7° | 109.0° |
C2 | C3 | O3 | 113.0° | 109.5° |
C3 | C2 | H2 | 110.7° | 109.6° |
C2 | C3 | H3 | 108.5° | 109.6° |
C2 | N2 | C7 | 122.2° | 120.0° |
N2 | C2 | H2 | 112.8° | 109.6° |
C2 | N2 | HN2 | 118.9° | 120.0° |
N3A | C3C | O3B | 116.4° | 120.0° |
C3C | N3A | HAS1 | 120.0° | 120.0° |
C3C | N3A | HAS2 | 120.0° | 120.0° |
C4 | C3 | O3 | 106.2° | 109.5° |
C3 | C4 | C5 | 104.0° | 109.2° |
C3 | C4 | H4 | 110.5° | 109.5° |
C4 | C3 | H3 | 108.3° | 109.6° |
O3 | C3 | H3 | 111.0° | 109.6° |
C4 | C5 | C6 | 109.8° | 109.5° |
C4 | C5 | O5 | 107.9° | 109.4° |
C5 | C4 | H4 | 111.0° | 109.6° |
C4 | C5 | H5 | 109.5° | 109.5° |
O7 | C7 | C8 | 117.0° | 120.0° |
O7 | C7 | N2 | 121.7° | 120.0° |
C6 | C5 | O5 | 109.1° | 109.5° |
C5 | C6 | O6 | 101.3° | 109.5° |
C6 | C5 | H5 | 109.8° | 109.5° |
C5 | C6 | H61 | 111.5° | 109.5° |
C5 | C6 | H62 | 111.5° | 109.5° |
O5 | C5 | H5 | 110.7° | 109.5° |
O6 | C6 | H61 | 111.5° | 109.4° |
O6 | C6 | H62 | 111.5° | 109.4° |
C6 | O6 | HO6 | 109.5° | 114.1° |
C8 | C7 | N2 | 121.3° | 120.0° |
C7 | C8 | H81 | 109.5° | 109.5° |
C7 | C8 | H82 | 109.5° | 109.5° |
C7 | C8 | H83 | 109.5° | 109.4° |
C7 | N2 | HN2 | 118.9° | 120.0° |
HAT1 | C3B | HAT2 | 109.4° | 109.5° |
HAT1 | C3B | HAT3 | 109.5° | 109.5° |
HAT2 | C3B | HAT3 | 109.5° | 109.5° |
HAS1 | N3A | HAS2 | 120.0° | 120.0° |
H61 | C6 | H62 | 109.5° | 109.5° |
H81 | C8 | H82 | 109.5° | 109.5° |
H81 | C8 | H83 | 109.4° | 109.4° |
H82 | C8 | H83 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O4 | C4 | C3 | C2 | 178.7° | 177.0° |
O4 | C4 | C3 | C5 | 115.6° | 120.0° |
O4 | C4 | C3 | H4 | 125.3° | 120.1° |
O4 | C4 | C3 | O3 | 56.3° | 63.2° |
O4 | C4 | C5 | H4 | 123.2° | 120.1° |
O4 | C4 | C5 | C6 | 62.4° | 62.5° |
O4 | C4 | C5 | O5 | 178.9° | 177.5° |
O4 | C4 | C3 | H3 | 63.0° | 57.1° |
O4 | C4 | C5 | H5 | 58.3° | 57.5° |
C3B | C3A | C3C | O3 | 116.1° | 120.0° |
C3B | C3A | C3C | HAQ | 116.3° | 120.0° |
C3B | C3A | O3 | HAQ | 115.0° | 120.0° |
C3B | C3A | C3C | N3A | 128.1° | 65.1° |
C3B | C3A | C3C | O3B | 51.2° | 115.1° |
C3B | C3A | O3 | C3 | 162.2° | 89.7° |
C3A | C3B | HAT1 | HAT2 | 120.0° | 119.9° |
C3A | C3B | HAT1 | HAT3 | 120.0° | 120.0° |
C3A | C3B | HAT2 | HAT3 | 120.0° | 120.0° |
C3C | C3A | O3 | HAQ | 128.4° | 120.0° |
C3A | C3C | N3A | O3B | 179.4° | 179.9° |
C3C | C3A | O3 | C3 | 81.1° | 150.4° |
C3C | C3A | C3B | HAT1 | 180.0° | 55.4° |
C3C | C3A | C3B | HAT2 | 60.0° | 175.4° |
C3C | C3A | C3B | HAT3 | 60.0° | 64.6° |
C3A | C3C | N3A | HAS1 | 179.4° | 0.1° |
C3A | C3C | N3A | HAS2 | 0.6° | 180.0° |
C3A | O3 | C3 | C2 | 139.5° | 98.1° |
O3 | C3A | C3C | N3A | 115.8° | 174.9° |
O3 | C3A | C3C | O3B | 64.9° | 4.9° |
C3A | O3 | C3 | C4 | 100.2° | 142.4° |
O3 | C3A | C3B | HAT1 | 53.7° | 64.5° |
O3 | C3A | C3B | HAT2 | 173.7° | 55.4° |
O3 | C3A | C3B | HAT3 | 66.3° | 175.5° |
C3A | O3 | C3 | H3 | 17.3° | 22.1° |
C2 | C1 | O5 | O1 | 123.0° | 120.0° |
C2 | C1 | O5 | H1 | 118.1° | 120.0° |
C2 | C1 | O1 | H1 | 119.2° | 120.0° |
C1 | C2 | C3 | N2 | 114.2° | 119.9° |
C1 | C2 | C3 | H2 | 120.4° | 119.9° |
C1 | C2 | N2 | H2 | 121.6° | 120.1° |
C1 | C2 | C3 | C4 | 62.2° | 57.0° |
C1 | C2 | C3 | O3 | 179.5° | 176.8° |
C2 | C1 | O5 | C5 | 57.9° | 61.1° |
C1 | C2 | N2 | C7 | 148.4° | 90.7° |
C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
C1 | C2 | C3 | H3 | 56.0° | 62.9° |
C1 | C2 | N2 | HN2 | 31.6° | 89.4° |
O5 | C1 | O1 | H1 | 119.2° | 120.0° |
O5 | C1 | C2 | C3 | 54.4° | 57.6° |
O5 | C1 | C2 | N2 | 171.4° | 177.5° |
C1 | O5 | C5 | C4 | 61.8° | 61.1° |
C1 | O5 | C5 | C6 | 178.9° | 178.9° |
O5 | C1 | C2 | H2 | 65.9° | 62.3° |
O5 | C1 | O1 | HO1 | 58.5° | 60.0° |
C1 | O5 | C5 | H5 | 58.0° | 58.8° |
O1 | C1 | C2 | C3 | 175.6° | 177.6° |
O1 | C1 | C2 | N2 | 67.4° | 62.4° |
O1 | C1 | O5 | C5 | 179.1° | 178.9° |
O1 | C1 | C2 | H2 | 55.3° | 57.7° |
C3 | C2 | N2 | H2 | 124.2° | 120.2° |
C2 | C3 | C4 | O3 | 122.4° | 119.8° |
C2 | C3 | C4 | H3 | 118.3° | 119.9° |
C2 | C3 | O3 | H3 | 122.2° | 120.2° |
C2 | C3 | C4 | C5 | 65.7° | 57.0° |
C3 | C2 | N2 | C7 | 97.4° | 149.7° |
C2 | C3 | C4 | H4 | 53.4° | 63.0° |
C3 | C2 | C1 | H1 | 64.6° | 62.4° |
C3 | C2 | N2 | HN2 | 82.6° | 30.3° |
N2 | C2 | C3 | C4 | 176.4° | 176.9° |
N2 | C2 | C3 | O3 | 65.3° | 63.3° |
C2 | N2 | C7 | O7 | 0.1° | 0.0° |
C2 | N2 | C7 | C8 | 180.0° | 180.0° |
C2 | N2 | C7 | HN2 | 180.0° | 179.9° |
N2 | C2 | C1 | H1 | 52.4° | 57.5° |
N2 | C2 | C3 | H3 | 58.2° | 57.0° |
N3A | C3C | C3A | HAQ | 11.8° | 54.9° |
C3C | N3A | HAS1 | HAS2 | 180.0° | 179.9° |
O3B | C3C | C3A | HAQ | 167.5° | 125.0° |
O3B | C3C | N3A | HAS1 | 0.0° | 180.0° |
O3B | C3C | N3A | HAS2 | 180.0° | 0.1° |
C4 | C3 | O3 | H3 | 117.5° | 120.3° |
C3 | C4 | C5 | H4 | 118.8° | 120.0° |
C3 | C4 | C5 | C6 | 179.6° | 177.6° |
C3 | C4 | C5 | O5 | 60.9° | 57.6° |
C4 | C3 | C2 | H2 | 58.2° | 62.9° |
C3 | C4 | C5 | H5 | 59.7° | 62.4° |
C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
O3 | C3 | C4 | C5 | 171.8° | 176.8° |
O3 | C3 | C4 | H4 | 69.1° | 56.8° |
C3 | O3 | C3A | HAQ | 47.2° | 30.3° |
O3 | C3 | C2 | H2 | 60.1° | 56.9° |
C4 | C5 | C6 | O5 | 118.1° | 120.0° |
C4 | C5 | C6 | H5 | 120.4° | 120.0° |
C4 | C5 | O5 | H5 | 119.8° | 120.0° |
C4 | C5 | C6 | O6 | 94.2° | 175.0° |
C5 | C4 | C3 | H3 | 52.6° | 62.9° |
C4 | C5 | C6 | H61 | 147.2° | 55.0° |
C4 | C5 | C6 | H62 | 24.5° | 65.0° |
C5 | C4 | O4 | HO4 | 66.7° | 60.3° |
O7 | C7 | C8 | N2 | 179.9° | 180.0° |
O7 | C7 | N2 | HN2 | 179.9° | 180.0° |
O7 | C7 | C8 | H81 | 0.0° | 90.0° |
O7 | C7 | C8 | H82 | 120.0° | 150.0° |
O7 | C7 | C8 | H83 | 120.0° | 30.0° |
C6 | C5 | O5 | H5 | 120.9° | 120.0° |
C5 | C6 | O6 | H61 | 118.7° | 120.0° |
C5 | C6 | O6 | H62 | 118.7° | 120.0° |
C6 | C5 | C4 | H4 | 60.9° | 57.6° |
C5 | C6 | H61 | H62 | 123.8° | 120.0° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
O5 | C5 | C6 | O6 | 23.9° | 65.0° |
O5 | C5 | C4 | H4 | 57.9° | 62.3° |
C5 | O5 | C1 | H1 | 60.2° | 58.8° |
O5 | C5 | C6 | H61 | 94.8° | 175.0° |
O5 | C5 | C6 | H62 | 142.6° | 54.9° |
O6 | C6 | C5 | H5 | 145.4° | 55.0° |
O6 | C6 | H61 | H62 | 123.8° | 119.9° |
C8 | C7 | N2 | HN2 | 0.0° | 0.0° |
C7 | C8 | H81 | H82 | 120.0° | 120.0° |
C7 | C8 | H81 | H83 | 120.0° | 120.0° |
C7 | C8 | H82 | H83 | 120.0° | 119.9° |
C7 | N2 | C2 | H2 | 26.8° | 29.5° |
N2 | C7 | C8 | H81 | 179.9° | 90.0° |
N2 | C7 | C8 | H82 | 59.9° | 30.0° |
N2 | C7 | C8 | H83 | 60.1° | 150.0° |
H4 | C4 | C3 | H3 | 171.7° | 177.1° |
H4 | C4 | C5 | H5 | 178.5° | 177.6° |
H4 | C4 | O4 | HO4 | 55.7° | 59.9° |
HAQ | C3A | C3B | HAT1 | 61.9° | 175.5° |
HAQ | C3A | C3B | HAT2 | 58.1° | 64.6° |
HAQ | C3A | C3B | HAT3 | 178.0° | 55.4° |
HAT1 | C3B | HAT2 | HAT3 | 120.0° | 120.0° |
H1 | C1 | C2 | H2 | 175.1° | 177.7° |
H1 | C1 | O1 | HO1 | 60.8° | 60.0° |
H2 | C2 | C3 | H3 | 176.4° | 177.2° |
H2 | C2 | N2 | HN2 | 153.2° | 150.5° |
H5 | C5 | C6 | H61 | 26.7° | 65.0° |
H5 | C5 | C6 | H62 | 95.9° | 175.0° |
H61 | C6 | O6 | HO6 | 61.3° | 60.0° |
H62 | C6 | O6 | HO6 | 61.3° | 60.0° |
H81 | C8 | H82 | H83 | 120.0° | 120.0° |