T5U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N03 | C13 | doub | 1.30Å | 1.35Å | |
| C13 | O01 | sing | 1.35Å | 1.37Å | |
| C13 | N02 | sing | 1.38Å | 1.34Å | |
| O01 | C09 | sing | 1.44Å | 1.40Å | |
| N02 | C06 | sing | 1.48Å | 1.48Å | |
| C09 | C06 | sing | 1.55Å | 1.57Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C15 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.53Å | 1.55Å | |
| C16 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C04 | sing | 1.51Å | 1.50Å | |
| C08 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C04 | C07 | sing | 1.53Å | 1.55Å | |
| C14 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C07 | C10 | sing | 1.53Å | 1.52Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C16 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C06 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| N03 | H17 | sing | 0.97Å | 1.00Å | |
| N02 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N03 | C13 | O01 | 115.6° | 124.9° |
| N03 | C13 | N02 | 128.4° | 124.9° |
| C13 | N03 | H17 | 112.0° | 120.0° |
| O01 | C13 | N02 | 116.0° | 110.2° |
| C13 | O01 | C09 | 107.6° | 106.7° |
| C13 | N02 | C06 | 106.1° | 107.1° |
| C13 | N02 | H19 | 127.0° | 126.5° |
| O01 | C09 | C06 | 105.1° | 102.9° |
| O01 | C09 | H10 | 110.6° | 110.7° |
| O01 | C09 | H11 | 110.6° | 110.9° |
| N02 | C06 | C09 | 103.8° | 103.2° |
| N02 | C06 | C05 | 114.6° | 110.7° |
| N02 | C06 | H7 | 108.5° | 110.8° |
| C06 | N02 | H19 | 126.9° | 126.4° |
| C09 | C06 | C05 | 114.3° | 110.7° |
| C09 | C06 | H7 | 107.4° | 110.6° |
| C06 | C09 | H10 | 110.6° | 110.8° |
| C06 | C09 | H11 | 110.5° | 110.7° |
| C06 | C05 | C04 | 115.5° | 109.5° |
| C06 | C05 | H5 | 107.9° | 109.5° |
| C06 | C05 | H6 | 108.0° | 109.5° |
| C05 | C06 | H7 | 107.8° | 110.6° |
| C12 | C15 | C16 | 120.8° | 120.0° |
| C15 | C12 | C08 | 121.1° | 120.0° |
| C15 | C12 | H1 | 119.4° | 120.0° |
| C12 | C15 | H16 | 119.6° | 120.0° |
| C15 | C16 | C14 | 118.6° | 120.0° |
| C15 | C16 | H2 | 120.7° | 120.0° |
| C16 | C15 | H16 | 119.6° | 120.0° |
| C12 | C08 | C04 | 122.3° | 120.1° |
| C12 | C08 | C11 | 117.5° | 120.0° |
| C08 | C12 | H1 | 119.4° | 120.0° |
| C05 | C04 | C08 | 113.4° | 109.5° |
| C05 | C04 | C07 | 110.1° | 109.5° |
| C05 | C04 | H4 | 107.3° | 109.4° |
| C04 | C05 | H5 | 108.0° | 109.4° |
| C04 | C05 | H6 | 108.0° | 109.4° |
| C16 | C14 | C11 | 120.4° | 120.0° |
| C14 | C16 | H2 | 120.7° | 120.0° |
| C16 | C14 | H3 | 119.7° | 120.0° |
| C04 | C08 | C11 | 120.2° | 120.0° |
| C08 | C04 | C07 | 110.5° | 109.5° |
| C08 | C04 | H4 | 107.9° | 109.4° |
| C08 | C11 | C14 | 121.4° | 120.0° |
| C08 | C11 | H15 | 119.3° | 120.0° |
| C04 | C07 | C10 | 114.2° | 109.4° |
| C07 | C04 | H4 | 107.3° | 109.5° |
| C04 | C07 | H8 | 108.3° | 109.5° |
| C04 | C07 | H9 | 108.3° | 109.5° |
| C11 | C14 | H3 | 119.8° | 120.0° |
| C14 | C11 | H15 | 119.3° | 120.1° |
| C10 | C07 | H8 | 108.3° | 109.5° |
| C10 | C07 | H9 | 108.3° | 109.5° |
| C07 | C10 | H12 | 109.5° | 109.5° |
| C07 | C10 | H13 | 109.5° | 109.5° |
| C07 | C10 | H14 | 109.5° | 109.5° |
| H5 | C05 | H6 | 109.4° | 109.4° |
| H8 | C07 | H9 | 109.5° | 109.5° |
| H10 | C09 | H11 | 109.5° | 110.7° |
| H12 | C10 | H13 | 109.4° | 109.5° |
| H12 | C10 | H14 | 109.5° | 109.4° |
| H13 | C10 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N03 | C13 | O01 | N02 | 179.8° | 179.8° |
| N03 | C13 | O01 | C09 | 172.3° | 147.4° |
| N03 | C13 | N02 | C06 | 179.9° | 158.8° |
| N03 | C13 | N02 | H19 | 0.1° | 21.2° |
| O01 | C13 | N02 | C06 | 0.3° | 21.4° |
| C13 | O01 | C09 | C06 | 11.2° | 29.2° |
| C13 | O01 | C09 | H10 | 108.1° | 147.6° |
| C13 | O01 | C09 | H11 | 130.5° | 89.2° |
| O01 | C13 | N03 | H17 | 0.0° | 0.0° |
| O01 | C13 | N02 | H19 | 179.8° | 158.6° |
| N02 | C13 | O01 | C09 | 7.9° | 32.8° |
| C13 | N02 | C06 | H19 | 180.0° | 180.0° |
| C13 | N02 | C06 | C09 | 6.5° | 2.1° |
| C13 | N02 | C06 | C05 | 131.9° | 116.4° |
| C13 | N02 | C06 | H7 | 107.6° | 120.5° |
| N02 | C13 | N03 | H17 | 179.8° | 179.7° |
| O01 | C09 | C06 | N02 | 10.9° | 16.0° |
| O01 | C09 | C06 | H10 | 119.3° | 118.4° |
| O01 | C09 | C06 | H11 | 119.3° | 118.5° |
| O01 | C09 | C06 | C05 | 136.5° | 134.4° |
| O01 | C09 | C06 | H7 | 103.9° | 102.6° |
| O01 | C09 | H10 | H11 | 122.0° | 123.4° |
| N02 | C06 | C09 | C05 | 125.6° | 118.5° |
| N02 | C06 | C09 | H7 | 114.8° | 118.6° |
| N02 | C06 | C05 | H7 | 120.9° | 123.2° |
| N02 | C06 | C05 | C04 | 58.8° | 70.0° |
| N02 | C06 | C05 | H5 | 62.1° | 170.0° |
| N02 | C06 | C05 | H6 | 179.7° | 50.0° |
| N02 | C06 | C09 | H10 | 108.4° | 134.3° |
| N02 | C06 | C09 | H11 | 130.2° | 102.5° |
| C09 | C06 | C05 | H7 | 119.4° | 123.0° |
| C09 | C06 | C05 | C04 | 178.5° | 176.2° |
| C09 | C06 | C05 | H5 | 57.6° | 56.2° |
| C09 | C06 | C05 | H6 | 60.6° | 63.8° |
| C06 | C09 | H10 | H11 | 122.0° | 123.2° |
| C09 | C06 | N02 | H19 | 173.5° | 177.9° |
| C06 | C05 | C04 | H5 | 120.9° | 120.1° |
| C06 | C05 | C04 | H6 | 120.9° | 120.0° |
| C06 | C05 | C04 | C08 | 134.7° | 174.0° |
| C06 | C05 | C04 | C07 | 100.9° | 65.9° |
| C06 | C05 | C04 | H4 | 15.6° | 54.1° |
| C06 | C05 | H5 | H6 | 117.3° | 120.0° |
| C05 | C06 | C09 | H10 | 17.1° | 107.2° |
| C05 | C06 | C09 | H11 | 104.2° | 16.0° |
| C05 | C06 | N02 | H19 | 48.1° | 63.6° |
| C12 | C15 | C16 | H16 | 180.0° | 180.0° |
| C15 | C12 | C08 | H1 | 180.0° | 179.8° |
| C12 | C15 | C16 | C14 | 0.0° | 0.6° |
| C15 | C12 | C08 | C04 | 180.0° | 179.7° |
| C15 | C12 | C08 | C11 | 0.1° | 0.2° |
| C12 | C15 | C16 | H2 | 180.0° | 179.8° |
| C16 | C15 | C12 | C08 | 0.0° | 0.1° |
| C15 | C16 | C14 | H2 | 180.0° | 179.2° |
| C15 | C16 | C14 | C11 | 0.0° | 0.8° |
| C16 | C15 | C12 | H1 | 180.0° | 179.7° |
| C15 | C16 | C14 | H3 | 180.0° | 179.2° |
| C12 | C08 | C04 | C05 | 74.4° | 120.0° |
| C12 | C08 | C04 | C11 | 179.9° | 179.9° |
| C12 | C08 | C04 | C07 | 161.4° | 119.9° |
| C12 | C08 | C11 | C14 | 0.1° | 0.1° |
| C12 | C08 | C04 | H4 | 44.3° | 0.1° |
| C12 | C08 | C11 | H15 | 179.9° | 179.9° |
| C08 | C12 | C15 | H16 | 180.0° | 180.0° |
| C05 | C04 | C08 | C07 | 124.2° | 120.0° |
| C05 | C04 | C08 | H4 | 118.7° | 119.9° |
| C05 | C04 | C08 | C11 | 105.5° | 60.1° |
| C05 | C04 | C07 | H4 | 116.5° | 119.9° |
| C05 | C04 | C07 | C10 | 143.9° | 175.2° |
| C04 | C05 | H5 | H6 | 117.3° | 119.9° |
| C04 | C05 | C06 | H7 | 62.1° | 53.2° |
| C05 | C04 | C07 | H8 | 95.4° | 64.9° |
| C05 | C04 | C07 | H9 | 23.2° | 55.2° |
| C16 | C14 | C11 | C08 | 0.1° | 0.5° |
| C16 | C14 | C11 | H3 | 180.0° | 179.9° |
| C16 | C14 | C11 | H15 | 179.9° | 179.4° |
| C14 | C16 | C15 | H16 | 180.0° | 179.5° |
| C08 | C04 | C07 | H4 | 117.4° | 120.0° |
| C04 | C08 | C11 | C14 | 180.0° | 179.9° |
| C08 | C04 | C07 | C10 | 90.0° | 64.8° |
| C04 | C08 | C12 | H1 | 0.0° | 0.1° |
| C08 | C04 | C05 | H5 | 13.9° | 65.9° |
| C08 | C04 | C05 | H6 | 104.4° | 54.0° |
| C08 | C04 | C07 | H8 | 30.7° | 55.2° |
| C08 | C04 | C07 | H9 | 149.3° | 175.2° |
| C04 | C08 | C11 | H15 | 0.0° | 0.0° |
| C11 | C08 | C04 | C07 | 18.7° | 59.9° |
| C08 | C11 | C14 | H15 | 180.0° | 180.0° |
| C11 | C08 | C12 | H1 | 179.9° | 180.0° |
| C08 | C11 | C14 | H3 | 179.9° | 179.4° |
| C11 | C08 | C04 | H4 | 135.8° | 180.0° |
| C04 | C07 | C10 | H8 | 120.7° | 120.0° |
| C04 | C07 | C10 | H9 | 120.7° | 120.0° |
| C07 | C04 | C05 | H5 | 138.3° | 54.2° |
| C07 | C04 | C05 | H6 | 20.1° | 174.1° |
| C04 | C07 | H8 | H9 | 117.8° | 120.0° |
| C04 | C07 | C10 | H12 | 180.0° | 64.7° |
| C04 | C07 | C10 | H13 | 60.0° | 55.3° |
| C04 | C07 | C10 | H14 | 60.0° | 175.3° |
| C11 | C14 | C16 | H2 | 180.0° | 180.0° |
| C10 | C07 | C04 | H4 | 27.4° | 55.2° |
| C10 | C07 | H8 | H9 | 117.8° | 120.0° |
| C07 | C10 | H12 | H13 | 120.0° | 120.1° |
| C07 | C10 | H12 | H14 | 120.0° | 120.0° |
| C07 | C10 | H13 | H14 | 120.0° | 120.0° |
| H1 | C12 | C15 | H16 | 0.0° | 0.2° |
| H2 | C16 | C14 | H3 | 0.0° | 0.1° |
| H2 | C16 | C15 | H16 | 0.0° | 0.3° |
| H3 | C14 | C11 | H15 | 0.1° | 0.6° |
| H4 | C04 | C05 | H5 | 105.2° | 174.2° |
| H4 | C04 | C05 | H6 | 136.6° | 65.9° |
| H4 | C04 | C07 | H8 | 148.2° | 175.2° |
| H4 | C04 | C07 | H9 | 93.3° | 64.8° |
| H5 | C05 | C06 | H7 | 177.0° | 66.8° |
| H6 | C05 | C06 | H7 | 58.8° | 173.2° |
| H7 | C06 | C09 | H10 | 136.7° | 15.8° |
| H7 | C06 | C09 | H11 | 15.4° | 138.9° |
| H7 | C06 | N02 | H19 | 72.5° | 59.5° |
| H8 | C07 | C10 | H12 | 59.3° | 175.3° |
| H8 | C07 | C10 | H13 | 179.3° | 64.7° |
| H8 | C07 | C10 | H14 | 60.7° | 55.4° |
| H9 | C07 | C10 | H12 | 59.3° | 55.3° |
| H9 | C07 | C10 | H13 | 60.7° | 175.3° |
| H9 | C07 | C10 | H14 | 179.3° | 64.7° |
| H12 | C10 | H13 | H14 | 120.0° | 119.9° |
