LNV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | doub | 1.33Å | 1.53Å | |
| C2 | O6 | sing | 1.36Å | 1.40Å | |
| C2 | C1 | sing | 1.47Å | 1.49Å | |
| C3 | C4 | sing | 1.50Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | N4 | sing | 1.47Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C5 | N5 | sing | 1.46Å | 1.44Å | |
| C6 | O6 | sing | 1.43Å | 1.41Å | |
| C6 | C7 | sing | 1.53Å | 1.49Å | |
| C1 | O1B | sing | 1.35Å | 1.38Å | |
| C1 | O1A | doub | 1.22Å | 1.22Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C7 | O7 | sing | 1.43Å | 1.37Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C8 | O8 | sing | 1.43Å | 1.38Å | |
| C9 | O9 | sing | 1.43Å | 1.41Å | |
| O7 | C13 | sing | 1.43Å | 1.39Å | |
| N4 | C12 | sing | 1.37Å | 1.44Å | |
| C12 | N12 | doub | 1.30Å | 1.31Å | |
| C12 | N13 | sing | 1.38Å | 1.33Å | |
| C10 | C11 | sing | 1.51Å | 1.49Å | |
| C10 | O10 | doub | 1.21Å | 1.23Å | |
| C10 | N5 | sing | 1.35Å | 1.43Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| N12 | HN12 | sing | 0.97Å | 1.00Å | |
| N13 | HN14 | sing | 0.97Å | 1.00Å | |
| N13 | HN13 | sing | 0.97Å | 1.00Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| O1B | HOB1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | O6 | 122.7° | 123.0° |
| C3 | C2 | C1 | 118.9° | 118.5° |
| C2 | C3 | C4 | 118.0° | 122.3° |
| C2 | C3 | H3 | 121.0° | 118.9° |
| O6 | C2 | C1 | 112.9° | 118.5° |
| C2 | O6 | C6 | 120.6° | 117.6° |
| C2 | C1 | O1B | 118.7° | 120.1° |
| C2 | C1 | O1A | 118.4° | 120.0° |
| C3 | C4 | C5 | 115.3° | 109.5° |
| C3 | C4 | N4 | 117.4° | 109.5° |
| C4 | C3 | H3 | 121.0° | 118.9° |
| C3 | C4 | H4 | 103.8° | 109.5° |
| C5 | C4 | N4 | 120.1° | 109.4° |
| C4 | C5 | C6 | 119.0° | 108.2° |
| C4 | C5 | N5 | 121.8° | 109.8° |
| C5 | C4 | H4 | 98.6° | 109.5° |
| C4 | C5 | H5 | 87.5° | 109.7° |
| C4 | N4 | C12 | 125.2° | 120.0° |
| N4 | C4 | H4 | 94.6° | 109.4° |
| C4 | N4 | HN4 | 117.4° | 120.0° |
| C6 | C5 | N5 | 117.2° | 109.7° |
| C5 | C6 | O6 | 120.6° | 108.3° |
| C5 | C6 | C7 | 118.8° | 109.7° |
| C6 | C5 | H5 | 103.5° | 109.7° |
| C5 | C6 | H6 | 91.0° | 109.7° |
| C5 | N5 | C10 | 126.2° | 120.0° |
| N5 | C5 | H5 | 93.7° | 109.7° |
| C5 | N5 | HN5 | 116.9° | 120.0° |
| O6 | C6 | C7 | 112.5° | 109.7° |
| O6 | C6 | H6 | 102.3° | 109.7° |
| C6 | C7 | C8 | 112.2° | 109.5° |
| C6 | C7 | O7 | 105.7° | 109.5° |
| C7 | C6 | H6 | 105.7° | 109.8° |
| C6 | C7 | H7 | 111.6° | 109.4° |
| O1B | C1 | O1A | 122.6° | 119.9° |
| C1 | O1B | HOB1 | 109.5° | 117.0° |
| C8 | C7 | O7 | 113.3° | 109.5° |
| C7 | C8 | C9 | 112.2° | 109.5° |
| C7 | C8 | O8 | 112.8° | 109.5° |
| C8 | C7 | H7 | 103.7° | 109.5° |
| C7 | C8 | H8 | 106.6° | 109.5° |
| C7 | O7 | C13 | 119.2° | 114.0° |
| O7 | C7 | H7 | 110.5° | 109.5° |
| C9 | C8 | O8 | 113.4° | 109.5° |
| C8 | C9 | O9 | 114.4° | 109.5° |
| C9 | C8 | H8 | 105.9° | 109.4° |
| C8 | C9 | H91 | 107.9° | 109.5° |
| C8 | C9 | H92 | 107.9° | 109.4° |
| O8 | C8 | H8 | 105.2° | 109.5° |
| C8 | O8 | HO8 | 109.5° | 114.0° |
| O9 | C9 | H91 | 107.9° | 109.5° |
| O9 | C9 | H92 | 107.9° | 109.5° |
| C9 | O9 | HO9 | 109.5° | 114.0° |
| O7 | C13 | H131 | 109.5° | 109.4° |
| O7 | C13 | H132 | 109.5° | 109.5° |
| O7 | C13 | H133 | 109.4° | 109.5° |
| N4 | C12 | N12 | 117.2° | 120.0° |
| N4 | C12 | N13 | 121.8° | 120.0° |
| C12 | N4 | HN4 | 117.4° | 120.0° |
| N12 | C12 | N13 | 120.8° | 120.0° |
| C12 | N12 | HN12 | 112.0° | 120.0° |
| C12 | N13 | HN14 | 120.0° | 120.0° |
| C12 | N13 | HN13 | 120.0° | 120.0° |
| C11 | C10 | O10 | 121.6° | 120.0° |
| C11 | C10 | N5 | 114.6° | 120.0° |
| C10 | C11 | H111 | 109.5° | 109.5° |
| C10 | C11 | H112 | 109.5° | 109.5° |
| C10 | C11 | H113 | 109.5° | 109.5° |
| O10 | C10 | N5 | 122.5° | 120.0° |
| C10 | N5 | HN5 | 116.9° | 120.0° |
| H91 | C9 | H92 | 111.0° | 109.5° |
| H131 | C13 | H132 | 109.4° | 109.5° |
| H131 | C13 | H133 | 109.4° | 109.4° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| HN14 | N13 | HN13 | 120.0° | 120.0° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.4° | 109.4° |
| H112 | C11 | H113 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | O6 | C1 | 153.4° | 179.8° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 5.7° | 17.5° |
| C2 | C3 | C4 | N4 | 144.8° | 137.5° |
| C3 | C2 | O6 | C6 | 18.2° | 16.7° |
| C3 | C2 | C1 | O1B | 26.0° | 180.0° |
| C3 | C2 | C1 | O1A | 160.0° | 0.0° |
| C2 | C3 | C4 | H4 | 112.4° | 102.5° |
| O6 | C2 | C3 | C4 | 20.7° | 0.4° |
| C2 | O6 | C6 | C5 | 0.9° | 47.9° |
| C2 | O6 | C6 | C7 | 147.4° | 167.6° |
| O6 | C2 | C1 | O1B | 179.5° | 0.3° |
| O6 | C2 | C1 | O1A | 5.5° | 179.8° |
| O6 | C2 | C3 | H3 | 159.3° | 179.6° |
| C2 | O6 | C6 | H6 | 99.6° | 71.8° |
| C1 | C2 | C3 | C4 | 172.5° | 179.4° |
| C1 | C2 | O6 | C6 | 171.6° | 163.0° |
| C2 | C1 | O1B | O1A | 173.7° | 179.9° |
| C1 | C2 | C3 | H3 | 7.5° | 0.7° |
| C2 | C1 | O1B | HOB1 | 173.7° | 180.0° |
| C3 | C4 | C5 | N4 | 149.7° | 120.0° |
| C3 | C4 | C5 | H4 | 109.8° | 120.1° |
| C3 | C4 | N4 | H4 | 108.2° | 120.1° |
| C3 | C4 | C5 | C6 | 9.7° | 47.2° |
| C3 | C4 | C5 | N5 | 172.9° | 166.9° |
| C3 | C4 | N4 | C12 | 145.7° | 85.0° |
| C3 | C4 | C5 | H5 | 94.3° | 72.5° |
| C3 | C4 | N4 | HN4 | 34.3° | 94.9° |
| C5 | C4 | N4 | H4 | 102.7° | 119.9° |
| C4 | C5 | C6 | N5 | 163.9° | 119.7° |
| C4 | C5 | C6 | H5 | 94.7° | 119.7° |
| C4 | C5 | N5 | H5 | 89.4° | 120.7° |
| C4 | C5 | C6 | O6 | 13.1° | 63.0° |
| C4 | C5 | C6 | C7 | 159.5° | 177.3° |
| C5 | C4 | N4 | C12 | 65.2° | 155.0° |
| C4 | C5 | N5 | C10 | 72.1° | 85.0° |
| C5 | C4 | C3 | H3 | 174.3° | 162.4° |
| C4 | C5 | C6 | H6 | 91.9° | 56.7° |
| C5 | C4 | N4 | HN4 | 114.8° | 25.1° |
| C4 | C5 | N5 | HN5 | 107.9° | 95.0° |
| N4 | C4 | C5 | C6 | 159.4° | 167.2° |
| N4 | C4 | C5 | N5 | 37.4° | 73.1° |
| C4 | N4 | C12 | HN4 | 180.0° | 179.9° |
| C4 | N4 | C12 | N12 | 169.8° | 0.0° |
| C4 | N4 | C12 | N13 | 14.2° | 180.0° |
| N4 | C4 | C3 | H3 | 35.2° | 42.5° |
| N4 | C4 | C5 | H5 | 55.4° | 47.5° |
| C6 | C5 | N5 | H5 | 107.2° | 120.5° |
| C5 | C6 | O6 | C7 | 148.3° | 119.7° |
| C5 | C6 | O6 | H6 | 98.7° | 119.7° |
| C5 | C6 | C7 | H6 | 100.1° | 120.6° |
| C5 | C6 | C7 | C8 | 157.5° | 175.0° |
| C5 | C6 | C7 | O7 | 78.6° | 55.0° |
| C6 | C5 | N5 | C10 | 124.5° | 156.2° |
| C6 | C5 | C4 | H4 | 100.1° | 72.9° |
| C5 | C6 | C7 | H7 | 41.6° | 65.0° |
| C6 | C5 | N5 | HN5 | 55.5° | 23.8° |
| N5 | C5 | C6 | O6 | 177.1° | 177.3° |
| N5 | C5 | C6 | C7 | 36.5° | 57.6° |
| C5 | N5 | C10 | C11 | 172.4° | 180.0° |
| C5 | N5 | C10 | O10 | 20.6° | 0.1° |
| C5 | N5 | C10 | HN5 | 180.0° | 180.0° |
| N5 | C5 | C4 | H4 | 63.1° | 46.8° |
| N5 | C5 | C6 | H6 | 72.0° | 63.0° |
| O6 | C6 | C7 | H6 | 110.9° | 120.6° |
| O6 | C6 | C7 | C8 | 53.6° | 56.2° |
| O6 | C6 | C7 | O7 | 70.4° | 63.8° |
| O6 | C6 | C5 | H5 | 81.6° | 56.7° |
| O6 | C6 | C7 | H7 | 169.5° | 176.1° |
| C6 | C7 | C8 | O7 | 119.6° | 120.0° |
| C6 | C7 | C8 | H7 | 120.6° | 119.9° |
| C6 | C7 | O7 | H7 | 120.8° | 120.0° |
| C6 | C7 | C8 | C9 | 172.2° | 174.7° |
| C6 | C7 | C8 | O8 | 58.3° | 54.7° |
| C6 | C7 | O7 | C13 | 128.3° | 137.3° |
| C7 | C6 | C5 | H5 | 64.8° | 63.0° |
| C6 | C7 | C8 | H8 | 56.7° | 65.3° |
| O1A | C1 | O1B | HOB1 | 0.0° | 0.1° |
| C8 | C7 | O7 | H7 | 115.9° | 120.0° |
| C7 | C8 | C9 | O8 | 129.3° | 120.0° |
| C7 | C8 | C9 | H8 | 115.9° | 120.0° |
| C7 | C8 | O8 | H8 | 115.8° | 120.0° |
| C7 | C8 | C9 | O9 | 64.8° | 175.7° |
| C8 | C7 | O7 | C13 | 108.4° | 102.7° |
| C8 | C7 | C6 | H6 | 57.3° | 64.4° |
| C7 | C8 | C9 | H91 | 175.2° | 55.6° |
| C7 | C8 | C9 | H92 | 55.2° | 64.4° |
| C7 | C8 | O8 | HO8 | 180.0° | 60.0° |
| O7 | C7 | C8 | C9 | 52.5° | 65.3° |
| O7 | C7 | C8 | O8 | 177.9° | 174.7° |
| O7 | C7 | C6 | H6 | 178.7° | 175.6° |
| O7 | C7 | C8 | H8 | 62.9° | 54.7° |
| C7 | O7 | C13 | H131 | 180.0° | 65.7° |
| C7 | O7 | C13 | H132 | 60.0° | 174.3° |
| C7 | O7 | C13 | H133 | 60.0° | 54.3° |
| C9 | C8 | O8 | H8 | 115.3° | 120.0° |
| C8 | C9 | O9 | H91 | 120.0° | 120.0° |
| C8 | C9 | O9 | H92 | 120.0° | 119.9° |
| C9 | C8 | C7 | H7 | 67.3° | 54.8° |
| C8 | C9 | H91 | H92 | 118.0° | 119.9° |
| C8 | C9 | O9 | HO9 | 180.0° | 180.0° |
| C9 | C8 | O8 | HO8 | 51.0° | 60.1° |
| O8 | C8 | C9 | O9 | 64.5° | 64.3° |
| O8 | C8 | C7 | H7 | 62.3° | 65.2° |
| O8 | C8 | C9 | H91 | 55.5° | 175.7° |
| O8 | C8 | C9 | H92 | 175.5° | 55.7° |
| O9 | C9 | C8 | H8 | 179.3° | 55.7° |
| O9 | C9 | H91 | H92 | 118.0° | 120.0° |
| C13 | O7 | C7 | H7 | 7.5° | 17.4° |
| O7 | C13 | H131 | H132 | 120.0° | 120.0° |
| O7 | C13 | H131 | H133 | 120.0° | 120.0° |
| O7 | C13 | H132 | H133 | 120.0° | 120.0° |
| N4 | C12 | N12 | N13 | 176.0° | 179.9° |
| C12 | N4 | C4 | H4 | 37.6° | 35.1° |
| N4 | C12 | N12 | HN12 | 176.0° | 180.0° |
| N4 | C12 | N13 | HN14 | 175.8° | 0.0° |
| N4 | C12 | N13 | HN13 | 4.2° | 180.0° |
| N12 | C12 | N4 | HN4 | 10.2° | 180.0° |
| N12 | C12 | N13 | HN14 | 0.0° | 180.0° |
| N12 | C12 | N13 | HN13 | 180.0° | 0.0° |
| N13 | C12 | N4 | HN4 | 165.8° | 0.1° |
| N13 | C12 | N12 | HN12 | 0.0° | 0.0° |
| C12 | N13 | HN14 | HN13 | 180.0° | 180.0° |
| C11 | C10 | O10 | N5 | 166.1° | 180.0° |
| C10 | C11 | H111 | H112 | 120.0° | 120.0° |
| C10 | C11 | H111 | H113 | 120.0° | 120.0° |
| C10 | C11 | H112 | H113 | 120.0° | 120.0° |
| C11 | C10 | N5 | HN5 | 7.5° | 0.0° |
| O10 | C10 | C11 | H111 | 0.0° | 0.0° |
| O10 | C10 | C11 | H112 | 120.0° | 120.0° |
| O10 | C10 | C11 | H113 | 120.0° | 120.0° |
| O10 | C10 | N5 | HN5 | 159.4° | 180.0° |
| C10 | N5 | C5 | H5 | 17.3° | 35.7° |
| N5 | C10 | C11 | H111 | 167.1° | 179.9° |
| N5 | C10 | C11 | H112 | 72.9° | 60.0° |
| N5 | C10 | C11 | H113 | 47.1° | 60.0° |
| H3 | C3 | C4 | H4 | 67.6° | 77.6° |
| H4 | C4 | C5 | H5 | 155.9° | 167.5° |
| H4 | C4 | N4 | HN4 | 142.4° | 145.0° |
| H5 | C5 | C6 | H6 | 173.4° | 176.4° |
| H5 | C5 | N5 | HN5 | 162.7° | 144.3° |
| H6 | C6 | C7 | H7 | 58.6° | 55.5° |
| H7 | C7 | C8 | H8 | 177.2° | 174.8° |
| H8 | C8 | C9 | H91 | 59.4° | 64.3° |
| H8 | C8 | C9 | H92 | 60.7° | 175.7° |
| H8 | C8 | O8 | HO8 | 64.3° | 180.0° |
| H91 | C9 | O9 | HO9 | 60.0° | 60.0° |
| H92 | C9 | O9 | HO9 | 60.0° | 60.0° |
| H131 | C13 | H132 | H133 | 120.0° | 120.0° |
| H111 | C11 | H112 | H113 | 120.0° | 120.0° |
