GOU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C17 | C14 | sing | 1.51Å | 1.53Å | |
| N10 | C06 | sing | 1.39Å | 1.44Å | |
| C14 | N13 | doub | 1.30Å | 1.34Å | Aromatic |
| C14 | C15 | sing | 1.41Å | 1.43Å | Aromatic |
| N13 | O12 | sing | 1.21Å | 1.32Å | Aromatic |
| C15 | C16 | doub | 1.35Å | 1.40Å | Aromatic |
| C06 | N07 | doub | 1.33Å | 1.32Å | Aromatic |
| C06 | N05 | sing | 1.32Å | 1.33Å | Aromatic |
| N07 | C08 | sing | 1.32Å | 1.32Å | Aromatic |
| N05 | C04 | doub | 1.33Å | 1.37Å | Aromatic |
| O12 | C16 | sing | 1.34Å | 1.29Å | Aromatic |
| C16 | C11 | sing | 1.51Å | 1.50Å | |
| C08 | C09 | doub | 1.40Å | 1.41Å | Aromatic |
| C08 | CL2 | sing | 1.74Å | 1.76Å | |
| C04 | C09 | sing | 1.41Å | 1.37Å | Aromatic |
| C04 | N03 | sing | 1.37Å | 1.36Å | Aromatic |
| C11 | N03 | sing | 1.47Å | 1.45Å | |
| C09 | N01 | sing | 1.36Å | 1.37Å | Aromatic |
| N03 | C02 | sing | 1.36Å | 1.33Å | Aromatic |
| N01 | C02 | doub | 1.30Å | 1.32Å | Aromatic |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| N10 | H12 | sing | 0.97Å | 1.00Å | |
| N10 | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | C19 | 112.2° | 109.5° |
| C18 | C17 | C14 | 112.1° | 109.5° |
| C18 | C17 | H2 | 106.8° | 109.5° |
| C17 | C18 | H6 | 109.5° | 109.5° |
| C17 | C18 | H7 | 109.5° | 109.5° |
| C17 | C18 | H8 | 109.5° | 109.5° |
| C19 | C17 | C14 | 111.8° | 109.5° |
| C19 | C17 | H2 | 106.7° | 109.5° |
| C17 | C19 | H9 | 109.5° | 109.5° |
| C17 | C19 | H10 | 109.4° | 109.5° |
| C17 | C19 | H11 | 109.5° | 109.4° |
| C17 | C14 | N13 | 127.8° | 126.8° |
| C17 | C14 | C15 | 125.5° | 126.7° |
| C14 | C17 | H2 | 106.7° | 109.4° |
| N10 | C06 | N07 | 117.1° | 118.9° |
| N10 | C06 | N05 | 120.7° | 118.9° |
| C06 | N10 | H12 | 109.5° | 120.0° |
| C06 | N10 | H13 | 109.5° | 120.0° |
| N13 | C14 | C15 | 106.7° | 106.4° |
| C14 | N13 | O12 | 109.8° | 111.6° |
| C14 | C15 | C16 | 103.5° | 104.0° |
| C14 | C15 | H1 | 128.2° | 128.1° |
| N13 | O12 | C16 | 110.5° | 111.6° |
| C15 | C16 | O12 | 109.5° | 106.4° |
| C15 | C16 | C11 | 126.3° | 126.8° |
| C16 | C15 | H1 | 128.3° | 128.0° |
| N07 | C06 | N05 | 122.2° | 122.2° |
| C06 | N07 | C08 | 120.7° | 121.2° |
| C06 | N05 | C04 | 119.5° | 120.4° |
| N07 | C08 | C09 | 120.2° | 118.7° |
| N07 | C08 | CL2 | 119.8° | 120.6° |
| N05 | C04 | C09 | 119.7° | 119.1° |
| N05 | C04 | N03 | 134.1° | 134.9° |
| O12 | C16 | C11 | 124.2° | 126.8° |
| C16 | C11 | N03 | 114.7° | 109.5° |
| C16 | C11 | H4 | 108.2° | 109.5° |
| C16 | C11 | H5 | 108.1° | 109.5° |
| C09 | C08 | CL2 | 120.0° | 120.6° |
| C08 | C09 | C04 | 117.7° | 118.3° |
| C08 | C09 | N01 | 134.6° | 134.6° |
| C09 | C04 | N03 | 106.2° | 106.0° |
| C04 | C09 | N01 | 107.7° | 107.1° |
| C04 | N03 | C11 | 125.0° | 126.3° |
| C04 | N03 | C02 | 108.9° | 107.5° |
| C11 | N03 | C02 | 126.0° | 126.3° |
| N03 | C11 | H4 | 108.1° | 109.5° |
| N03 | C11 | H5 | 108.2° | 109.4° |
| C09 | N01 | C02 | 107.7° | 109.5° |
| N03 | C02 | N01 | 109.5° | 110.0° |
| N03 | C02 | H3 | 125.2° | 125.0° |
| N01 | C02 | H3 | 125.3° | 125.0° |
| H4 | C11 | H5 | 109.5° | 109.5° |
| H6 | C18 | H7 | 109.5° | 109.5° |
| H6 | C18 | H8 | 109.5° | 109.5° |
| H7 | C18 | H8 | 109.5° | 109.5° |
| H9 | C19 | H10 | 109.5° | 109.5° |
| H9 | C19 | H11 | 109.5° | 109.5° |
| H10 | C19 | H11 | 109.5° | 109.5° |
| H12 | N10 | H13 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | C19 | C14 | 127.0° | 120.1° |
| C18 | C17 | C19 | H2 | 116.6° | 120.0° |
| C18 | C17 | C14 | H2 | 116.6° | 120.0° |
| C18 | C17 | C14 | N13 | 11.9° | 145.0° |
| C18 | C17 | C14 | C15 | 168.8° | 34.9° |
| C17 | C18 | H6 | H7 | 120.0° | 120.0° |
| C17 | C18 | H6 | H8 | 120.0° | 120.0° |
| C17 | C18 | H7 | H8 | 120.0° | 120.0° |
| C18 | C17 | C19 | H9 | 180.0° | 180.0° |
| C18 | C17 | C19 | H10 | 60.0° | 59.9° |
| C18 | C17 | C19 | H11 | 60.0° | 60.0° |
| C19 | C17 | C14 | H2 | 116.4° | 120.0° |
| C19 | C17 | C14 | N13 | 139.0° | 95.0° |
| C19 | C17 | C14 | C15 | 41.7° | 85.1° |
| C19 | C17 | C18 | H6 | 180.0° | 60.0° |
| C19 | C17 | C18 | H7 | 60.0° | 180.0° |
| C19 | C17 | C18 | H8 | 60.0° | 60.0° |
| C17 | C19 | H9 | H10 | 120.0° | 120.0° |
| C17 | C19 | H9 | H11 | 120.0° | 120.0° |
| C17 | C19 | H10 | H11 | 120.0° | 119.9° |
| C17 | C14 | N13 | C15 | 179.4° | 180.0° |
| C17 | C14 | N13 | O12 | 178.9° | 179.7° |
| C17 | C14 | C15 | C16 | 179.1° | 180.0° |
| C17 | C14 | C15 | H1 | 0.9° | 0.3° |
| C14 | C17 | C18 | H6 | 53.2° | 180.0° |
| C14 | C17 | C18 | H7 | 66.8° | 60.0° |
| C14 | C17 | C18 | H8 | 173.2° | 60.0° |
| C14 | C17 | C19 | H9 | 53.0° | 60.0° |
| C14 | C17 | C19 | H10 | 173.0° | 180.0° |
| C14 | C17 | C19 | H11 | 67.0° | 60.1° |
| N10 | C06 | N07 | N05 | 179.9° | 179.9° |
| N10 | C06 | N07 | C08 | 179.7° | 179.9° |
| N10 | C06 | N05 | C04 | 179.8° | 180.0° |
| C06 | N10 | H12 | H13 | 120.0° | 179.9° |
| N13 | C14 | C15 | C16 | 0.3° | 0.0° |
| C14 | N13 | O12 | C16 | 0.5° | 0.5° |
| N13 | C14 | C15 | H1 | 179.7° | 179.7° |
| N13 | C14 | C17 | H2 | 104.6° | 25.0° |
| C15 | C14 | N13 | O12 | 0.5° | 0.3° |
| C14 | C15 | C16 | H1 | 180.0° | 179.7° |
| C14 | C15 | C16 | O12 | 0.0° | 0.3° |
| C14 | C15 | C16 | C11 | 178.9° | 179.8° |
| C15 | C14 | C17 | H2 | 74.6° | 154.9° |
| N13 | O12 | C16 | C15 | 0.3° | 0.5° |
| N13 | O12 | C16 | C11 | 178.7° | 179.6° |
| C15 | C16 | O12 | C11 | 179.0° | 179.9° |
| C15 | C16 | C11 | N03 | 124.5° | 90.0° |
| C15 | C16 | C11 | H4 | 3.7° | 150.0° |
| C15 | C16 | C11 | H5 | 114.8° | 30.0° |
| N07 | C06 | N05 | C04 | 0.3° | 0.1° |
| C06 | N07 | C08 | C09 | 0.2° | 0.1° |
| C06 | N07 | C08 | CL2 | 178.9° | 179.9° |
| N07 | C06 | N10 | H12 | 0.0° | 0.1° |
| N07 | C06 | N10 | H13 | 120.0° | 180.0° |
| N05 | C06 | N07 | C08 | 0.3° | 0.1° |
| C06 | N05 | C04 | C09 | 0.1° | 0.1° |
| C06 | N05 | C04 | N03 | 179.9° | 180.0° |
| N05 | C06 | N10 | H12 | 179.9° | 180.0° |
| N05 | C06 | N10 | H13 | 59.9° | 0.1° |
| N07 | C08 | C09 | CL2 | 179.1° | 180.0° |
| N07 | C08 | C09 | C04 | 0.1° | 0.1° |
| N07 | C08 | C09 | N01 | 178.8° | 180.0° |
| N05 | C04 | C09 | C08 | 0.0° | 0.1° |
| N05 | C04 | C09 | N03 | 179.8° | 179.9° |
| N05 | C04 | N03 | C11 | 3.0° | 0.1° |
| N05 | C04 | C09 | N01 | 179.1° | 180.0° |
| N05 | C04 | N03 | C02 | 179.5° | 179.9° |
| O12 | C16 | C11 | N03 | 56.7° | 89.9° |
| O12 | C16 | C15 | H1 | 180.0° | 180.0° |
| O12 | C16 | C11 | H4 | 177.5° | 30.1° |
| O12 | C16 | C11 | H5 | 64.0° | 150.1° |
| C16 | C11 | N03 | C04 | 74.5° | 85.0° |
| C16 | C11 | N03 | H4 | 120.8° | 120.0° |
| C16 | C11 | N03 | H5 | 120.7° | 120.0° |
| C16 | C11 | N03 | C02 | 109.6° | 95.1° |
| C11 | C16 | C15 | H1 | 1.0° | 0.1° |
| C16 | C11 | H4 | H5 | 117.6° | 120.0° |
| C08 | C09 | C04 | N01 | 179.2° | 179.9° |
| C08 | C09 | C04 | N03 | 179.9° | 180.0° |
| C08 | C09 | N01 | C02 | 179.1° | 179.8° |
| CL2 | C08 | C09 | C04 | 179.0° | 179.9° |
| CL2 | C08 | C09 | N01 | 2.1° | 0.0° |
| C09 | C04 | N03 | C11 | 177.2° | 180.0° |
| C09 | C04 | N03 | C02 | 0.7° | 0.2° |
| C04 | C09 | N01 | C02 | 1.9° | 0.1° |
| C04 | N03 | C11 | C02 | 175.9° | 179.8° |
| N03 | C04 | C09 | N01 | 0.7° | 0.1° |
| C04 | N03 | C02 | N01 | 2.0° | 0.2° |
| C04 | N03 | C02 | H3 | 178.0° | 180.0° |
| C04 | N03 | C11 | H4 | 46.3° | 35.0° |
| C04 | N03 | C11 | H5 | 164.8° | 155.0° |
| C11 | N03 | C02 | N01 | 178.4° | 179.9° |
| C11 | N03 | C02 | H3 | 1.5° | 0.2° |
| N03 | C11 | H4 | H5 | 117.6° | 120.0° |
| C09 | N01 | C02 | N03 | 2.4° | 0.2° |
| C09 | N01 | C02 | H3 | 177.6° | 179.9° |
| N03 | C02 | N01 | H3 | 180.0° | 179.8° |
| C02 | N03 | C11 | H4 | 129.6° | 144.8° |
| C02 | N03 | C11 | H5 | 11.2° | 24.9° |
| H2 | C17 | C18 | H6 | 63.4° | 60.0° |
| H2 | C17 | C18 | H7 | 176.6° | 60.0° |
| H2 | C17 | C18 | H8 | 56.6° | 180.0° |
| H2 | C17 | C19 | H9 | 63.4° | 60.0° |
| H2 | C17 | C19 | H10 | 56.7° | 60.0° |
| H2 | C17 | C19 | H11 | 176.6° | 180.0° |
| H6 | C18 | H7 | H8 | 120.0° | 120.0° |
| H9 | C19 | H10 | H11 | 120.0° | 120.1° |
