GNT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.29Å | 1.32Å | |
| C1 | C42 | sing | 1.49Å | 1.56Å | |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | sing | 1.50Å | 1.50Å | |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | sing | 1.51Å | 1.58Å | |
| C3 | O18 | sing | 1.43Å | 1.41Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| C4 | C41 | sing | 1.50Å | 1.55Å | |
| C4 | H41A | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C41 | C42 | sing | 1.53Å | 1.56Å | |
| C41 | O5 | sing | 1.43Å | 1.48Å | |
| C41 | H41 | sing | 1.09Å | 1.11Å | |
| C42 | C12 | sing | 1.52Å | 1.54Å | |
| C42 | C14 | sing | 1.52Å | 1.55Å | |
| O5 | C13 | sing | 1.35Å | 1.37Å | |
| C6 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | C13 | sing | 1.40Å | 1.42Å | Aromatic |
| C6 | O17 | sing | 1.36Å | 1.38Å | |
| C7 | C8 | sing | 1.37Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | C15 | doub | 1.40Å | 1.42Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C9 | N10 | sing | 1.45Å | 1.49Å | |
| C9 | C15 | sing | 1.50Å | 1.49Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| N10 | C11 | sing | 1.43Å | 1.49Å | |
| N10 | C19 | sing | 1.47Å | 1.51Å | |
| C11 | C12 | sing | 1.50Å | 1.53Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | C14 | doub | 1.40Å | 1.42Å | Aromatic |
| C14 | C15 | sing | 1.36Å | 1.40Å | Aromatic |
| C16 | O17 | sing | 1.43Å | 1.40Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C16 | H163 | sing | 1.09Å | 1.12Å | |
| O18 | H18 | sing | 0.97Å | 0.95Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C19 | H193 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C42 | 125.2° | 125.2° |
| C2 | C1 | H1 | 108.4° | 117.4° |
| C1 | C2 | C3 | 124.1° | 123.8° |
| C1 | C2 | H2 | 111.0° | 118.1° |
| C42 | C1 | H1 | 126.4° | 117.4° |
| C1 | C42 | C41 | 111.5° | 112.9° |
| C1 | C42 | C12 | 112.7° | 111.8° |
| C1 | C42 | C14 | 107.8° | 109.2° |
| C3 | C2 | H2 | 124.9° | 118.1° |
| C2 | C3 | C4 | 114.4° | 111.9° |
| C2 | C3 | O18 | 107.7° | 109.0° |
| C2 | C3 | H3 | 106.9° | 109.0° |
| C4 | C3 | O18 | 108.1° | 109.0° |
| C4 | C3 | H3 | 106.5° | 109.0° |
| C3 | C4 | C41 | 112.5° | 113.8° |
| C3 | C4 | H41A | 111.1° | 108.6° |
| C3 | C4 | H42 | 111.1° | 108.6° |
| O18 | C3 | H3 | 113.3° | 109.0° |
| C3 | O18 | H18 | 107.7° | 106.9° |
| C41 | C4 | H41A | 111.1° | 108.6° |
| C41 | C4 | H42 | 111.1° | 108.7° |
| C4 | C41 | C42 | 115.3° | 114.2° |
| C4 | C41 | O5 | 109.6° | 112.2° |
| C4 | C41 | H41 | 104.7° | 109.0° |
| H41A | C4 | H42 | 99.3° | 108.4° |
| C42 | C41 | O5 | 107.3° | 104.0° |
| C42 | C41 | H41 | 107.1° | 108.2° |
| C41 | C42 | C12 | 112.0° | 110.1° |
| C41 | C42 | C14 | 98.4° | 102.0° |
| O5 | C41 | H41 | 113.0° | 108.9° |
| C41 | O5 | C13 | 105.6° | 109.0° |
| C12 | C42 | C14 | 113.6° | 110.4° |
| C42 | C12 | C11 | 118.3° | 112.3° |
| C42 | C12 | H121 | 109.0° | 108.9° |
| C42 | C12 | H122 | 109.0° | 109.0° |
| C42 | C14 | C13 | 108.4° | 105.7° |
| C42 | C14 | C15 | 130.8° | 131.2° |
| O5 | C13 | C6 | 124.8° | 127.3° |
| O5 | C13 | C14 | 112.8° | 112.3° |
| C7 | C6 | C13 | 116.1° | 116.8° |
| C7 | C6 | O17 | 125.0° | 121.6° |
| C6 | C7 | C8 | 121.1° | 121.7° |
| C6 | C7 | H7 | 120.3° | 119.1° |
| C13 | C6 | O17 | 117.8° | 121.6° |
| C6 | C13 | C14 | 122.4° | 120.3° |
| C6 | O17 | C16 | 120.2° | 106.8° |
| C8 | C7 | H7 | 118.6° | 119.2° |
| C7 | C8 | C15 | 123.0° | 122.0° |
| C7 | C8 | H8 | 117.6° | 119.0° |
| C15 | C8 | H8 | 119.5° | 119.0° |
| C8 | C15 | C9 | 120.9° | 115.6° |
| C8 | C15 | C14 | 116.8° | 116.2° |
| N10 | C9 | C15 | 113.4° | 113.2° |
| N10 | C9 | H91 | 110.8° | 108.8° |
| N10 | C9 | H92 | 110.8° | 108.8° |
| C9 | N10 | C11 | 113.6° | 111.9° |
| C9 | N10 | C19 | 110.0° | 106.7° |
| C15 | C9 | H91 | 110.7° | 108.7° |
| C15 | C9 | H92 | 110.8° | 108.7° |
| C9 | C15 | C14 | 122.3° | 128.1° |
| H91 | C9 | H92 | 99.5° | 108.6° |
| C11 | N10 | C19 | 111.8° | 106.7° |
| N10 | C11 | C12 | 112.8° | 115.2° |
| N10 | C11 | H111 | 111.0° | 108.3° |
| N10 | C11 | H112 | 111.0° | 108.3° |
| N10 | C19 | H191 | 110.0° | 109.5° |
| N10 | C19 | H192 | 112.0° | 109.5° |
| N10 | C19 | H193 | 112.0° | 109.5° |
| C12 | C11 | H111 | 111.0° | 108.3° |
| C12 | C11 | H112 | 111.0° | 108.4° |
| C11 | C12 | H121 | 109.0° | 108.9° |
| C11 | C12 | H122 | 109.0° | 109.0° |
| H111 | C11 | H112 | 99.3° | 108.1° |
| H121 | C12 | H122 | 101.1° | 108.8° |
| C13 | C14 | C15 | 120.6° | 122.9° |
| O17 | C16 | H161 | 120.2° | 109.4° |
| O17 | C16 | H162 | 108.4° | 109.5° |
| O17 | C16 | H163 | 108.4° | 109.5° |
| H161 | C16 | H162 | 108.4° | 109.5° |
| H161 | C16 | H163 | 108.3° | 109.5° |
| H162 | C16 | H163 | 101.5° | 109.5° |
| H191 | C19 | H192 | 112.0° | 109.5° |
| H191 | C19 | H193 | 112.1° | 109.4° |
| H192 | C19 | H193 | 98.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C42 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 9.6° | 18.1° |
| C1 | C2 | C3 | O18 | 110.6° | 102.5° |
| C1 | C2 | C3 | H3 | 127.3° | 138.7° |
| C2 | C1 | C42 | C41 | 8.9° | 6.7° |
| C2 | C1 | C42 | C12 | 117.9° | 118.0° |
| C2 | C1 | C42 | C14 | 115.9° | 119.4° |
| C42 | C1 | C2 | C3 | 3.9° | 0.4° |
| C42 | C1 | C2 | H2 | 176.1° | 179.6° |
| C1 | C42 | C41 | C4 | 35.5° | 31.0° |
| C1 | C42 | C41 | C12 | 127.3° | 125.7° |
| C1 | C42 | C41 | C14 | 113.0° | 117.1° |
| C1 | C42 | C41 | O5 | 86.9° | 91.7° |
| C1 | C42 | C41 | H41 | 151.5° | 152.6° |
| C1 | C42 | C12 | C14 | 123.0° | 121.8° |
| C1 | C42 | C12 | C11 | 62.1° | 58.3° |
| C1 | C42 | C12 | H121 | 172.7° | 62.4° |
| C1 | C42 | C12 | H122 | 63.1° | 179.1° |
| C1 | C42 | C14 | C13 | 98.8° | 101.3° |
| C1 | C42 | C14 | C15 | 77.4° | 73.8° |
| H1 | C1 | C2 | C3 | 176.1° | 179.6° |
| H1 | C1 | C2 | H2 | 3.9° | 0.4° |
| H1 | C1 | C42 | C41 | 171.1° | 173.3° |
| H1 | C1 | C42 | C12 | 62.1° | 62.0° |
| H1 | C1 | C42 | C14 | 64.1° | 60.6° |
| C2 | C3 | C4 | O18 | 120.0° | 120.6° |
| C2 | C3 | C4 | H3 | 117.9° | 120.6° |
| C2 | C3 | O18 | H3 | 118.0° | 118.8° |
| C2 | C3 | C4 | C41 | 35.2° | 42.0° |
| C2 | C3 | C4 | H41A | 160.4° | 163.2° |
| C2 | C3 | C4 | H42 | 90.0° | 79.2° |
| C2 | C3 | O18 | H18 | 180.0° | 60.0° |
| H2 | C2 | C3 | C4 | 170.4° | 161.9° |
| H2 | C2 | C3 | O18 | 69.4° | 77.5° |
| H2 | C2 | C3 | H3 | 52.7° | 41.3° |
| C4 | C3 | O18 | H3 | 117.9° | 118.9° |
| C3 | C4 | C41 | H41A | 125.2° | 121.1° |
| C3 | C4 | C41 | H42 | 125.2° | 121.1° |
| C3 | C4 | H41A | H42 | 117.0° | 117.8° |
| C3 | C4 | C41 | C42 | 49.0° | 49.8° |
| C3 | C4 | C41 | O5 | 72.1° | 68.3° |
| C3 | C4 | C41 | H41 | 166.4° | 170.9° |
| C4 | C3 | O18 | H18 | 55.9° | 177.7° |
| O18 | C3 | C4 | C41 | 84.8° | 78.5° |
| O18 | C3 | C4 | H41A | 40.4° | 42.6° |
| O18 | C3 | C4 | H42 | 150.0° | 160.3° |
| H3 | C3 | C4 | C41 | 153.1° | 162.6° |
| H3 | C3 | C4 | H41A | 81.7° | 76.3° |
| H3 | C3 | C4 | H42 | 27.8° | 41.4° |
| H3 | C3 | O18 | H18 | 62.0° | 58.8° |
| C41 | C4 | H41A | H42 | 117.0° | 117.9° |
| C4 | C41 | C42 | O5 | 122.4° | 122.7° |
| C4 | C41 | C42 | H41 | 116.0° | 121.6° |
| C4 | C41 | O5 | H41 | 116.3° | 120.8° |
| C4 | C41 | C42 | C12 | 91.8° | 94.7° |
| C4 | C41 | C42 | C14 | 148.5° | 148.1° |
| C4 | C41 | O5 | C13 | 152.5° | 148.4° |
| H41A | C4 | C41 | C42 | 174.2° | 170.9° |
| H41A | C4 | C41 | O5 | 53.1° | 52.8° |
| H41A | C4 | C41 | H41 | 68.4° | 68.0° |
| H42 | C4 | C41 | C42 | 76.2° | 71.3° |
| H42 | C4 | C41 | O5 | 162.7° | 170.6° |
| H42 | C4 | C41 | H41 | 41.2° | 49.8° |
| C42 | C41 | O5 | H41 | 117.9° | 115.2° |
| C41 | C42 | C12 | C14 | 110.4° | 111.9° |
| C42 | C41 | O5 | C13 | 26.7° | 24.4° |
| C41 | C42 | C12 | C11 | 171.3° | 175.4° |
| C41 | C42 | C12 | H121 | 46.0° | 63.9° |
| C41 | C42 | C12 | H122 | 63.5° | 54.6° |
| C41 | C42 | C14 | C13 | 17.1° | 18.4° |
| C41 | C42 | C14 | C15 | 166.7° | 166.5° |
| O5 | C41 | C42 | C12 | 145.8° | 142.7° |
| O5 | C41 | C42 | C14 | 26.1° | 25.4° |
| C41 | O5 | C13 | C6 | 165.8° | 170.0° |
| C41 | O5 | C13 | C14 | 15.5° | 13.1° |
| H41 | C41 | C42 | C12 | 24.2° | 26.9° |
| H41 | C41 | C42 | C14 | 95.5° | 90.3° |
| H41 | C41 | O5 | C13 | 91.2° | 90.8° |
| C42 | C12 | C11 | N10 | 67.7° | 82.4° |
| C42 | C12 | C11 | H121 | 125.2° | 120.7° |
| C42 | C12 | C11 | H122 | 125.2° | 120.8° |
| C42 | C12 | C11 | H111 | 57.5° | 39.1° |
| C42 | C12 | C11 | H112 | 167.0° | 156.2° |
| C42 | C12 | H121 | H122 | 114.7° | 118.6° |
| C12 | C42 | C14 | C13 | 135.6° | 135.4° |
| C12 | C42 | C14 | C15 | 48.2° | 49.5° |
| C42 | C14 | C13 | O5 | 2.0° | 4.4° |
| C42 | C14 | C13 | C6 | 176.8° | 172.8° |
| C42 | C14 | C15 | C8 | 175.9° | 171.1° |
| C42 | C14 | C15 | C9 | 4.4° | 12.3° |
| C14 | C42 | C12 | C11 | 60.9° | 63.6° |
| C14 | C42 | C12 | H121 | 64.3° | 175.8° |
| C14 | C42 | C12 | H122 | 173.9° | 57.2° |
| C42 | C14 | C13 | C15 | 176.6° | 175.6° |
| O5 | C13 | C6 | C7 | 178.6° | 177.3° |
| O5 | C13 | C6 | C14 | 178.6° | 176.7° |
| O5 | C13 | C6 | O17 | 13.0° | 3.0° |
| O5 | C13 | C14 | C15 | 178.6° | 180.0° |
| C7 | C6 | C13 | O17 | 168.4° | 179.6° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C15 | 0.1° | 0.4° |
| C6 | C7 | C8 | H8 | 179.9° | 179.6° |
| C7 | C6 | C13 | C14 | 0.0° | 0.6° |
| C7 | C6 | O17 | C16 | 56.4° | 0.1° |
| C13 | C6 | C7 | C8 | 0.1° | 0.9° |
| C13 | C6 | C7 | H7 | 179.9° | 179.0° |
| C6 | C13 | C14 | C15 | 0.1° | 2.8° |
| C13 | C6 | O17 | C16 | 136.3° | 179.7° |
| O17 | C6 | C7 | C8 | 167.5° | 178.7° |
| O17 | C6 | C7 | H7 | 12.5° | 1.4° |
| O17 | C6 | C13 | C14 | 168.4° | 179.8° |
| C6 | O17 | C16 | H161 | 180.0° | 180.0° |
| C6 | O17 | C16 | H162 | 54.7° | 60.0° |
| C6 | O17 | C16 | H163 | 54.7° | 60.0° |
| C7 | C8 | C15 | H8 | 179.9° | 180.0° |
| C7 | C8 | C15 | C9 | 179.7° | 175.4° |
| C7 | C8 | C15 | C14 | 0.1° | 1.7° |
| H7 | C7 | C8 | C15 | 180.0° | 179.5° |
| H7 | C7 | C8 | H8 | 0.1° | 0.5° |
| C8 | C15 | C9 | N10 | 127.6° | 138.9° |
| C8 | C15 | C9 | C14 | 179.7° | 176.6° |
| C8 | C15 | C9 | H91 | 2.4° | 100.1° |
| C8 | C15 | C9 | H92 | 107.1° | 17.9° |
| C8 | C15 | C14 | C13 | 0.1° | 3.2° |
| H8 | C8 | C15 | C9 | 0.3° | 4.7° |
| H8 | C8 | C15 | C14 | 180.0° | 178.3° |
| N10 | C9 | C15 | H91 | 125.3° | 121.0° |
| N10 | C9 | C15 | H92 | 125.3° | 121.0° |
| N10 | C9 | H91 | H92 | 116.6° | 118.2° |
| C9 | N10 | C11 | C19 | 125.2° | 116.4° |
| C9 | N10 | C11 | C12 | 79.1° | 88.2° |
| C9 | N10 | C11 | H111 | 46.1° | 33.2° |
| C9 | N10 | C11 | H112 | 155.6° | 150.3° |
| N10 | C9 | C15 | C14 | 52.0° | 37.7° |
| C9 | N10 | C19 | H191 | 180.0° | 66.2° |
| C9 | N10 | C19 | H192 | 54.7° | 53.8° |
| C9 | N10 | C19 | H193 | 54.7° | 173.8° |
| C15 | C9 | H91 | H92 | 116.6° | 118.1° |
| C15 | C9 | N10 | C11 | 83.4° | 70.5° |
| C15 | C9 | N10 | C19 | 150.5° | 173.1° |
| C9 | C15 | C14 | C13 | 179.8° | 173.3° |
| H91 | C9 | N10 | C11 | 151.4° | 50.4° |
| H91 | C9 | N10 | C19 | 25.2° | 65.9° |
| H91 | C9 | C15 | C14 | 177.3° | 83.3° |
| H92 | C9 | N10 | C11 | 41.9° | 168.5° |
| H92 | C9 | N10 | C19 | 84.3° | 52.2° |
| H92 | C9 | C15 | C14 | 73.3° | 158.7° |
| N10 | C11 | C12 | H111 | 125.2° | 121.4° |
| N10 | C11 | C12 | H112 | 125.3° | 121.5° |
| N10 | C11 | H111 | H112 | 116.9° | 117.2° |
| N10 | C11 | C12 | H121 | 57.5° | 157.0° |
| N10 | C11 | C12 | H122 | 167.1° | 38.4° |
| C11 | N10 | C19 | H191 | 52.8° | 53.5° |
| C11 | N10 | C19 | H192 | 72.5° | 173.5° |
| C11 | N10 | C19 | H193 | 178.1° | 66.5° |
| C19 | N10 | C11 | C12 | 155.7° | 155.4° |
| C19 | N10 | C11 | H111 | 79.1° | 83.1° |
| C19 | N10 | C11 | H112 | 30.4° | 33.9° |
| N10 | C19 | H191 | H192 | 125.3° | 120.0° |
| N10 | C19 | H191 | H193 | 125.3° | 120.1° |
| N10 | C19 | H192 | H193 | 117.9° | 120.1° |
| C12 | C11 | H111 | H112 | 116.9° | 117.3° |
| C11 | C12 | H121 | H122 | 114.8° | 118.6° |
| H111 | C11 | C12 | H121 | 177.2° | 81.6° |
| H111 | C11 | C12 | H122 | 67.7° | 159.9° |
| H112 | C11 | C12 | H121 | 67.8° | 35.5° |
| H112 | C11 | C12 | H122 | 41.8° | 83.0° |
| O17 | C16 | H161 | H162 | 125.3° | 120.0° |
| O17 | C16 | H161 | H163 | 125.3° | 120.0° |
| O17 | C16 | H162 | H163 | 114.0° | 120.0° |
| H161 | C16 | H162 | H163 | 114.0° | 120.0° |
| H191 | C19 | H192 | H193 | 118.0° | 119.9° |
