T65
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C7 | C | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C | C1 | sing | 1.53Å | 1.54Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | C11 | doub | 1.31Å | 1.34Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C14 | C15 | sing | 1.48Å | 1.50Å | |
| C14 | O | doub | 1.21Å | 1.24Å | |
| C15 | N | doub | 1.29Å | 1.27Å | |
| N | C16 | sing | 1.47Å | 1.45Å | |
| C16 | C17 | sing | 1.51Å | 1.50Å | |
| C17 | O1 | doub | 1.21Å | 1.27Å | |
| C17 | O2 | sing | 1.34Å | 1.28Å | |
| O2 | H1 | sing | 0.97Å | 0.95Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C | H17 | sing | 1.09Å | 1.10Å | |
| C | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | H23 | sing | 1.09Å | 1.10Å | |
| C3 | H24 | sing | 1.09Å | 1.10Å | |
| C4 | H25 | sing | 1.09Å | 1.10Å | |
| C4 | H26 | sing | 1.09Å | 1.10Å | |
| C5 | H27 | sing | 1.09Å | 1.10Å | |
| C5 | H28 | sing | 1.09Å | 1.10Å | |
| C6 | H29 | sing | 1.09Å | 1.10Å | |
| C6 | H30 | sing | 1.09Å | 1.10Å | |
| C6 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 112.2° | 109.5° |
| C2 | C3 | C4 | 110.0° | 109.5° |
| C3 | C2 | H21 | 108.8° | 109.5° |
| C3 | C2 | H22 | 108.8° | 109.5° |
| C2 | C3 | H23 | 109.3° | 109.4° |
| C2 | C3 | H24 | 109.3° | 109.5° |
| C2 | C1 | C | 116.1° | 109.5° |
| C2 | C1 | H19 | 107.8° | 109.5° |
| C2 | C1 | H20 | 107.8° | 109.5° |
| C1 | C2 | H21 | 108.8° | 109.5° |
| C1 | C2 | H22 | 108.7° | 109.4° |
| C4 | C5 | C6 | 110.7° | 109.5° |
| C5 | C4 | C3 | 113.8° | 109.5° |
| C5 | C4 | H25 | 108.4° | 109.5° |
| C5 | C4 | H26 | 108.4° | 109.4° |
| C4 | C5 | H27 | 109.2° | 109.4° |
| C4 | C5 | H28 | 109.2° | 109.5° |
| C6 | C5 | H27 | 109.2° | 109.5° |
| C6 | C5 | H28 | 109.2° | 109.5° |
| C5 | C6 | H29 | 109.5° | 109.4° |
| C5 | C6 | H30 | 109.4° | 109.4° |
| C5 | C6 | H31 | 109.5° | 109.5° |
| C | C7 | C8 | 114.3° | 109.5° |
| C7 | C | C1 | 112.9° | 109.5° |
| C | C7 | H15 | 108.2° | 109.5° |
| C | C7 | H16 | 108.2° | 109.5° |
| C7 | C | H17 | 108.6° | 109.5° |
| C7 | C | H18 | 108.6° | 109.5° |
| C7 | C8 | C9 | 109.9° | 109.5° |
| C7 | C8 | H13 | 109.4° | 109.5° |
| C7 | C8 | H14 | 109.4° | 109.5° |
| C8 | C7 | H15 | 108.3° | 109.4° |
| C8 | C7 | H16 | 108.2° | 109.5° |
| C4 | C3 | H23 | 109.3° | 109.5° |
| C4 | C3 | H24 | 109.3° | 109.5° |
| C3 | C4 | H25 | 108.4° | 109.5° |
| C3 | C4 | H26 | 108.4° | 109.4° |
| C1 | C | H17 | 108.6° | 109.5° |
| C1 | C | H18 | 108.6° | 109.5° |
| C | C1 | H19 | 107.8° | 109.4° |
| C | C1 | H20 | 107.8° | 109.5° |
| C8 | C9 | C10 | 111.2° | 109.5° |
| C8 | C9 | H11 | 109.0° | 109.4° |
| C8 | C9 | H12 | 109.0° | 109.5° |
| C9 | C8 | H13 | 109.4° | 109.4° |
| C9 | C8 | H14 | 109.4° | 109.5° |
| C9 | C10 | C11 | 117.1° | 120.0° |
| C9 | C10 | H10 | 121.4° | 120.0° |
| C10 | C9 | H11 | 109.0° | 109.5° |
| C10 | C9 | H12 | 109.1° | 109.5° |
| C10 | C11 | C12 | 123.5° | 120.0° |
| C10 | C11 | H9 | 118.3° | 120.0° |
| C11 | C10 | H10 | 121.4° | 120.0° |
| C11 | C12 | C13 | 115.6° | 109.5° |
| C11 | C12 | H7 | 107.9° | 109.5° |
| C11 | C12 | H8 | 107.9° | 109.5° |
| C12 | C11 | H9 | 118.2° | 120.0° |
| C12 | C13 | C14 | 107.1° | 109.5° |
| C12 | C13 | H5 | 110.1° | 109.5° |
| C12 | C13 | H6 | 110.1° | 109.4° |
| C13 | C12 | H7 | 107.9° | 109.5° |
| C13 | C12 | H8 | 107.9° | 109.5° |
| C13 | C14 | C15 | 117.9° | 120.0° |
| C13 | C14 | O | 120.4° | 120.0° |
| C14 | C13 | H5 | 110.1° | 109.5° |
| C14 | C13 | H6 | 110.1° | 109.5° |
| C15 | C14 | O | 121.7° | 120.0° |
| C14 | C15 | N | 120.2° | 119.9° |
| C14 | C15 | H4 | 119.9° | 120.1° |
| C15 | N | C16 | 122.9° | 120.0° |
| N | C15 | H4 | 119.9° | 120.0° |
| N | C16 | C17 | 102.4° | 109.5° |
| N | C16 | H2 | 111.2° | 109.5° |
| N | C16 | H3 | 111.2° | 109.5° |
| C16 | C17 | O1 | 115.7° | 120.0° |
| C16 | C17 | O2 | 119.4° | 120.1° |
| C17 | C16 | H2 | 111.2° | 109.5° |
| C17 | C16 | H3 | 111.2° | 109.5° |
| O1 | C17 | O2 | 124.9° | 120.0° |
| C17 | O2 | H1 | 109.5° | 117.1° |
| H2 | C16 | H3 | 109.4° | 109.4° |
| H5 | C13 | H6 | 109.4° | 109.5° |
| H7 | C12 | H8 | 109.5° | 109.5° |
| H11 | C9 | H12 | 109.5° | 109.5° |
| H13 | C8 | H14 | 109.5° | 109.5° |
| H15 | C7 | H16 | 109.5° | 109.5° |
| H17 | C | H18 | 109.5° | 109.5° |
| H19 | C1 | H20 | 109.5° | 109.5° |
| H21 | C2 | H22 | 109.5° | 109.5° |
| H23 | C3 | H24 | 109.5° | 109.5° |
| H25 | C4 | H26 | 109.5° | 109.5° |
| H27 | C5 | H28 | 109.5° | 109.4° |
| H29 | C6 | H30 | 109.5° | 109.5° |
| H29 | C6 | H31 | 109.5° | 109.5° |
| H30 | C6 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | H21 | 120.4° | 120.0° |
| C3 | C2 | C1 | H22 | 120.4° | 120.0° |
| C2 | C3 | C4 | C5 | 138.6° | 180.0° |
| C2 | C3 | C4 | H23 | 120.1° | 120.0° |
| C2 | C3 | C4 | H24 | 120.1° | 120.0° |
| C3 | C2 | C1 | C | 150.1° | NaN° |
| C3 | C2 | C1 | H19 | 88.9° | 60.0° |
| C3 | C2 | C1 | H20 | 29.2° | 60.0° |
| C3 | C2 | H21 | H22 | 118.8° | 120.0° |
| C2 | C3 | H23 | H24 | 119.7° | 120.0° |
| C2 | C3 | C4 | H25 | 100.7° | 60.0° |
| C2 | C3 | C4 | H26 | 18.0° | 60.0° |
| C2 | C1 | C | C7 | 73.0° | 180.0° |
| C1 | C2 | C3 | C4 | 70.4° | 180.0° |
| C2 | C1 | C | H19 | 120.9° | 120.0° |
| C2 | C1 | C | H20 | 121.0° | 120.0° |
| C2 | C1 | C | H17 | 166.5° | 60.0° |
| C2 | C1 | C | H18 | 47.5° | 60.0° |
| C2 | C1 | H19 | H20 | 117.0° | 120.0° |
| C1 | C2 | H21 | H22 | 118.7° | 120.0° |
| C1 | C2 | C3 | H23 | 49.7° | 60.0° |
| C1 | C2 | C3 | H24 | 169.5° | 60.0° |
| C4 | C5 | C6 | H27 | 120.2° | 120.0° |
| C4 | C5 | C6 | H28 | 120.2° | 120.0° |
| C5 | C4 | C3 | H25 | 120.7° | 120.0° |
| C5 | C4 | C3 | H26 | 120.6° | 120.0° |
| C5 | C4 | C3 | H23 | 101.3° | 60.0° |
| C5 | C4 | C3 | H24 | 18.5° | 60.0° |
| C5 | C4 | H25 | H26 | 118.0° | 120.0° |
| C4 | C5 | H27 | H28 | 119.4° | 120.0° |
| C4 | C5 | C6 | H29 | 180.0° | 60.0° |
| C4 | C5 | C6 | H30 | 60.0° | 60.0° |
| C4 | C5 | C6 | H31 | 60.0° | 180.0° |
| C6 | C5 | C4 | C3 | 167.4° | 180.0° |
| C6 | C5 | C4 | H25 | 46.8° | 60.0° |
| C6 | C5 | C4 | H26 | 71.9° | 60.0° |
| C6 | C5 | H27 | H28 | 119.5° | 120.0° |
| C5 | C6 | H29 | H30 | 120.0° | 119.9° |
| C5 | C6 | H29 | H31 | 120.0° | 120.0° |
| C5 | C6 | H30 | H31 | 120.0° | 120.0° |
| C | C7 | C8 | H15 | 120.7° | 120.0° |
| C | C7 | C8 | H16 | 120.7° | 120.0° |
| C7 | C | C1 | H17 | 120.5° | 120.0° |
| C7 | C | C1 | H18 | 120.5° | 120.0° |
| C | C7 | C8 | C9 | 80.3° | 180.0° |
| C | C7 | C8 | H13 | 39.8° | 60.0° |
| C | C7 | C8 | H14 | 159.7° | 60.0° |
| C | C7 | H15 | H16 | 117.8° | 120.0° |
| C7 | C | H17 | H18 | 118.4° | 120.0° |
| C7 | C | C1 | H19 | 166.1° | 60.0° |
| C7 | C | C1 | H20 | 48.0° | 60.0° |
| C8 | C7 | C | C1 | 69.9° | 180.0° |
| C7 | C8 | C9 | H13 | 120.1° | 120.0° |
| C7 | C8 | C9 | H14 | 120.0° | 120.0° |
| C7 | C8 | C9 | C10 | 123.1° | 180.0° |
| C7 | C8 | C9 | H11 | 116.6° | 60.0° |
| C7 | C8 | C9 | H12 | 2.8° | 60.0° |
| C7 | C8 | H13 | H14 | 119.8° | 120.0° |
| C8 | C7 | H15 | H16 | 117.8° | 120.0° |
| C8 | C7 | C | H17 | 50.6° | 60.0° |
| C8 | C7 | C | H18 | 169.6° | 60.0° |
| C4 | C3 | C2 | H21 | 50.0° | 60.0° |
| C4 | C3 | C2 | H22 | 169.2° | 60.0° |
| C4 | C3 | H23 | H24 | 119.7° | 120.0° |
| C3 | C4 | H25 | H26 | 118.0° | 120.0° |
| C3 | C4 | C5 | H27 | 47.2° | 60.0° |
| C3 | C4 | C5 | H28 | 72.4° | 60.0° |
| C1 | C | C7 | H15 | 50.8° | 60.0° |
| C1 | C | C7 | H16 | 169.4° | 60.0° |
| C1 | C | H17 | H18 | 118.4° | 120.0° |
| C | C1 | H19 | H20 | 117.0° | 120.0° |
| C | C1 | C2 | H21 | 29.7° | 60.0° |
| C | C1 | C2 | H22 | 89.4° | 60.0° |
| C8 | C9 | C10 | H11 | 120.3° | 120.0° |
| C8 | C9 | C10 | H12 | 120.2° | 120.0° |
| C8 | C9 | C10 | C11 | 117.1° | 125.0° |
| C8 | C9 | C10 | H10 | 62.9° | 55.0° |
| C8 | C9 | H11 | H12 | 119.2° | 120.0° |
| C9 | C8 | H13 | H14 | 119.8° | 120.0° |
| C9 | C8 | C7 | H15 | 159.0° | 60.0° |
| C9 | C8 | C7 | H16 | 40.4° | 59.9° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 179.5° | 180.0° |
| C9 | C10 | C11 | H9 | 0.5° | 0.0° |
| C10 | C9 | H11 | H12 | 119.2° | 120.0° |
| C10 | C9 | C8 | H13 | 3.0° | 60.0° |
| C10 | C9 | C8 | H14 | 116.8° | 60.0° |
| C10 | C11 | C12 | H9 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 85.3° | 125.0° |
| C10 | C11 | C12 | H7 | 153.9° | 5.0° |
| C10 | C11 | C12 | H8 | 35.6° | 115.0° |
| C11 | C10 | C9 | H11 | 122.6° | 115.0° |
| C11 | C10 | C9 | H12 | 3.1° | 5.0° |
| C11 | C12 | C13 | H7 | 120.9° | 120.0° |
| C11 | C12 | C13 | H8 | 120.9° | 120.0° |
| C11 | C12 | C13 | C14 | 154.0° | 180.0° |
| C11 | C12 | C13 | H5 | 34.3° | 60.0° |
| C11 | C12 | C13 | H6 | 86.4° | 60.0° |
| C11 | C12 | H7 | H8 | 117.2° | 120.0° |
| C12 | C11 | C10 | H10 | 0.5° | 0.0° |
| C12 | C13 | C14 | H5 | 119.7° | 120.0° |
| C12 | C13 | C14 | H6 | 119.6° | 120.0° |
| C12 | C13 | C14 | C15 | 41.6° | 180.0° |
| C12 | C13 | C14 | O | 136.4° | 0.1° |
| C12 | C13 | H5 | H6 | 121.1° | 119.9° |
| C13 | C12 | H7 | H8 | 117.2° | 120.0° |
| C13 | C12 | C11 | H9 | 94.7° | 55.0° |
| C13 | C14 | C15 | O | 178.0° | 179.9° |
| C13 | C14 | C15 | N | 172.1° | 180.0° |
| C13 | C14 | C15 | H4 | 7.9° | 0.0° |
| C14 | C13 | H5 | H6 | 121.1° | 120.0° |
| C14 | C13 | C12 | H7 | 85.2° | 60.0° |
| C14 | C13 | C12 | H8 | 33.1° | 60.0° |
| C14 | C15 | N | H4 | 180.0° | 180.0° |
| C14 | C15 | N | C16 | 179.5° | 180.0° |
| C15 | C14 | C13 | H5 | 161.2° | 60.0° |
| C15 | C14 | C13 | H6 | 78.1° | 60.0° |
| O | C14 | C15 | N | 5.9° | 0.0° |
| O | C14 | C15 | H4 | 174.2° | 180.0° |
| O | C14 | C13 | H5 | 16.8° | 120.0° |
| O | C14 | C13 | H6 | 103.9° | 119.9° |
| C15 | N | C16 | C17 | 141.0° | 115.0° |
| C15 | N | C16 | H2 | 22.1° | 5.0° |
| C15 | N | C16 | H3 | 100.2° | 125.0° |
| N | C16 | C17 | H2 | 118.9° | 120.0° |
| N | C16 | C17 | H3 | 118.9° | 120.0° |
| N | C16 | C17 | O1 | 9.7° | 0.0° |
| N | C16 | C17 | O2 | 170.4° | 180.0° |
| N | C16 | H2 | H3 | 123.3° | 120.0° |
| C16 | N | C15 | H4 | 0.5° | 0.0° |
| C16 | C17 | O1 | O2 | 179.9° | 180.0° |
| C16 | C17 | O2 | H1 | 179.9° | 180.0° |
| C17 | C16 | H2 | H3 | 123.3° | 120.0° |
| O1 | C17 | O2 | H1 | 0.0° | 0.0° |
| O1 | C17 | C16 | H2 | 128.6° | 120.0° |
| O1 | C17 | C16 | H3 | 109.2° | 120.0° |
| O2 | C17 | C16 | H2 | 51.5° | 60.0° |
| O2 | C17 | C16 | H3 | 70.8° | 60.0° |
| H5 | C13 | C12 | H7 | 155.2° | 180.0° |
| H5 | C13 | C12 | H8 | 86.6° | 60.0° |
| H6 | C13 | C12 | H7 | 34.5° | 60.0° |
| H6 | C13 | C12 | H8 | 152.7° | 180.0° |
| H7 | C12 | C11 | H9 | 26.1° | 175.0° |
| H8 | C12 | C11 | H9 | 144.4° | 65.0° |
| H9 | C11 | C10 | H10 | 179.5° | 180.0° |
| H10 | C10 | C9 | H11 | 57.4° | 65.0° |
| H10 | C10 | C9 | H12 | 176.9° | 175.0° |
| H11 | C9 | C8 | H13 | 123.3° | 180.0° |
| H11 | C9 | C8 | H14 | 3.4° | 60.0° |
| H12 | C9 | C8 | H13 | 117.2° | 60.0° |
| H12 | C9 | C8 | H14 | 122.9° | 180.0° |
| H13 | C8 | C7 | H15 | 80.9° | 180.0° |
| H13 | C8 | C7 | H16 | 160.5° | 60.0° |
| H14 | C8 | C7 | H15 | 39.0° | 60.0° |
| H14 | C8 | C7 | H16 | 79.6° | NaN° |
| H15 | C7 | C | H17 | 171.4° | 180.0° |
| H15 | C7 | C | H18 | 69.7° | 60.0° |
| H16 | C7 | C | H17 | 70.1° | 60.0° |
| H16 | C7 | C | H18 | 48.9° | 180.0° |
| H17 | C | C1 | H19 | 45.6° | 180.0° |
| H17 | C | C1 | H20 | 72.5° | 60.0° |
| H18 | C | C1 | H19 | 73.4° | 60.0° |
| H18 | C | C1 | H20 | 168.5° | 180.0° |
| H19 | C1 | C2 | H21 | 150.7° | 180.0° |
| H19 | C1 | C2 | H22 | 31.5° | 60.0° |
| H20 | C1 | C2 | H21 | 91.3° | 60.0° |
| H20 | C1 | C2 | H22 | 149.6° | 180.0° |
| H21 | C2 | C3 | H23 | 170.1° | 180.0° |
| H21 | C2 | C3 | H24 | 70.1° | 60.0° |
| H22 | C2 | C3 | H23 | 70.7° | 60.0° |
| H22 | C2 | C3 | H24 | 49.1° | 180.0° |
| H23 | C3 | C4 | H25 | 19.4° | 180.0° |
| H23 | C3 | C4 | H26 | 138.1° | 60.0° |
| H24 | C3 | C4 | H25 | 139.2° | 60.0° |
| H24 | C3 | C4 | H26 | 102.1° | 180.0° |
| H25 | C4 | C5 | H27 | 73.4° | 180.0° |
| H25 | C4 | C5 | H28 | 167.0° | 60.0° |
| H26 | C4 | C5 | H27 | 167.9° | 60.0° |
| H26 | C4 | C5 | H28 | 48.3° | 179.9° |
| H27 | C5 | C6 | H29 | 59.8° | 180.0° |
| H27 | C5 | C6 | H30 | 179.8° | 60.0° |
| H27 | C5 | C6 | H31 | 60.2° | 60.0° |
| H28 | C5 | C6 | H29 | 59.8° | 60.0° |
| H28 | C5 | C6 | H30 | 60.2° | 180.0° |
| H28 | C5 | C6 | H31 | 179.8° | 60.0° |
| H29 | C6 | H30 | H31 | 120.0° | 120.1° |
