H5T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| C02 | C34 | doub | 1.38Å | 1.41Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.40Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.42Å | Aromatic |
| C33 | C05 | doub | 1.39Å | 1.37Å | Aromatic |
| N30 | N29 | doub | 1.29Å | 1.31Å | Aromatic |
| N30 | N15 | sing | 1.29Å | 1.38Å | Aromatic |
| O32 | C31 | sing | 1.43Å | 1.43Å | |
| C04 | C05 | sing | 1.39Å | 1.41Å | Aromatic |
| C05 | S06 | sing | 1.76Å | 1.79Å | |
| F28 | C27 | sing | 1.35Å | 1.33Å | |
| N29 | C17 | sing | 1.34Å | 1.44Å | Aromatic |
| C14 | N15 | sing | 1.46Å | 1.43Å | |
| C14 | C31 | sing | 1.53Å | 1.49Å | |
| C14 | C12 | sing | 1.53Å | 1.54Å | |
| C07 | S06 | sing | 1.81Å | 1.90Å | |
| C07 | C31 | sing | 1.53Å | 1.53Å | |
| C07 | O08 | sing | 1.43Å | 1.39Å | |
| N15 | C16 | sing | 1.35Å | 1.37Å | Aromatic |
| F26 | C25 | sing | 1.35Å | 1.33Å | |
| C27 | C25 | doub | 1.38Å | 1.41Å | Aromatic |
| C27 | C18 | sing | 1.39Å | 1.35Å | Aromatic |
| C17 | C16 | doub | 1.37Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.48Å | 1.48Å | |
| C09 | O08 | sing | 1.43Å | 1.38Å | |
| C09 | C12 | sing | 1.53Å | 1.56Å | |
| C09 | C10 | sing | 1.53Å | 1.47Å | |
| C25 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | O13 | sing | 1.43Å | 1.41Å | |
| C18 | C19 | doub | 1.40Å | 1.34Å | Aromatic |
| O11 | C10 | sing | 1.43Å | 1.38Å | |
| C23 | O24 | sing | 1.36Å | 1.37Å | |
| C23 | C21 | doub | 1.39Å | 1.41Å | Aromatic |
| C19 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | F20 | sing | 1.35Å | 1.30Å | |
| C21 | F22 | sing | 1.35Å | 1.33Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| O11 | H111 | sing | 0.97Å | 0.95Å | |
| O13 | H131 | sing | 0.97Å | 0.95Å | |
| O24 | H241 | sing | 0.97Å | 0.95Å | |
| O32 | H321 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C34 | 121.4° | 119.9° |
| C01 | C02 | C03 | 122.4° | 120.0° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C34 | C02 | C03 | 116.2° | 120.2° |
| C02 | C34 | C33 | 123.8° | 120.0° |
| C02 | C34 | H341 | 118.1° | 120.0° |
| C02 | C03 | C04 | 120.5° | 120.1° |
| C02 | C03 | H031 | 119.8° | 119.9° |
| C34 | C33 | C05 | 119.3° | 120.0° |
| C34 | C33 | H331 | 120.4° | 120.0° |
| C33 | C34 | H341 | 118.1° | 120.0° |
| C03 | C04 | C05 | 120.5° | 119.9° |
| C04 | C03 | H031 | 119.7° | 120.0° |
| C03 | C04 | H041 | 119.7° | 120.0° |
| C33 | C05 | C04 | 119.6° | 119.8° |
| C33 | C05 | S06 | 120.5° | 120.1° |
| C05 | C33 | H331 | 120.3° | 120.0° |
| N29 | N30 | N15 | 108.9° | 110.5° |
| N30 | N29 | C17 | 110.2° | 108.9° |
| N30 | N15 | C14 | 119.9° | 125.8° |
| N30 | N15 | C16 | 107.5° | 108.4° |
| O32 | C31 | C14 | 109.7° | 109.5° |
| O32 | C31 | C07 | 109.3° | 109.5° |
| O32 | C31 | H311 | 110.8° | 109.6° |
| C31 | O32 | H321 | 109.5° | 114.0° |
| C04 | C05 | S06 | 119.9° | 120.1° |
| C05 | C04 | H041 | 119.7° | 120.1° |
| C05 | S06 | C07 | 107.2° | 103.0° |
| F28 | C27 | C25 | 119.9° | 120.1° |
| F28 | C27 | C18 | 114.2° | 120.0° |
| N29 | C17 | C16 | 103.4° | 106.2° |
| N29 | C17 | C18 | 125.4° | 127.0° |
| N15 | C14 | C31 | 115.6° | 109.5° |
| N15 | C14 | C12 | 109.4° | 109.5° |
| C14 | N15 | C16 | 132.5° | 125.8° |
| N15 | C14 | H141 | 107.5° | 109.6° |
| C31 | C14 | C12 | 110.7° | 109.0° |
| C14 | C31 | C07 | 107.8° | 109.2° |
| C31 | C14 | H141 | 106.9° | 109.5° |
| C14 | C31 | H311 | 109.9° | 109.5° |
| C14 | C12 | C09 | 107.7° | 109.2° |
| C14 | C12 | O13 | 109.8° | 109.5° |
| C14 | C12 | H121 | 109.4° | 109.6° |
| C12 | C14 | H141 | 106.3° | 109.6° |
| S06 | C07 | C31 | 112.2° | 109.5° |
| S06 | C07 | O08 | 109.8° | 109.5° |
| S06 | C07 | H071 | 104.5° | 109.5° |
| C31 | C07 | O08 | 111.9° | 109.4° |
| C31 | C07 | H071 | 108.1° | 109.5° |
| C07 | C31 | H311 | 109.3° | 109.5° |
| C07 | O08 | C09 | 111.8° | 114.1° |
| O08 | C07 | H071 | 110.1° | 109.5° |
| N15 | C16 | C17 | 109.8° | 106.0° |
| N15 | C16 | H161 | 125.1° | 127.0° |
| F26 | C25 | C27 | 120.7° | 119.9° |
| F26 | C25 | C23 | 119.3° | 120.0° |
| C25 | C27 | C18 | 125.6° | 119.9° |
| C27 | C25 | C23 | 120.0° | 120.1° |
| C27 | C18 | C17 | 122.9° | 120.1° |
| C27 | C18 | C19 | 111.9° | 119.9° |
| C16 | C17 | C18 | 131.2° | 126.9° |
| C17 | C16 | H161 | 125.1° | 127.0° |
| C17 | C18 | C19 | 124.8° | 120.0° |
| O08 | C09 | C12 | 109.9° | 109.4° |
| O08 | C09 | C10 | 106.9° | 109.5° |
| O08 | C09 | H091 | 110.3° | 109.5° |
| C12 | C09 | C10 | 112.7° | 109.5° |
| C09 | C12 | O13 | 109.6° | 109.5° |
| C12 | C09 | H091 | 107.9° | 109.5° |
| C09 | C12 | H121 | 109.1° | 109.5° |
| C09 | C10 | O11 | 113.9° | 109.5° |
| C09 | C10 | H102 | 108.3° | 109.5° |
| C09 | C10 | H101 | 108.3° | 109.4° |
| C10 | C09 | H091 | 109.1° | 109.5° |
| C25 | C23 | O24 | 121.4° | 119.9° |
| C25 | C23 | C21 | 115.2° | 120.1° |
| O13 | C12 | H121 | 111.3° | 109.5° |
| C12 | O13 | H131 | 109.5° | 114.0° |
| C18 | C19 | C21 | 127.8° | 119.9° |
| C18 | C19 | F20 | 112.5° | 120.1° |
| O11 | C10 | H102 | 108.4° | 109.5° |
| O11 | C10 | H101 | 108.4° | 109.5° |
| C10 | O11 | H111 | 109.5° | 114.0° |
| O24 | C23 | C21 | 123.4° | 119.9° |
| C23 | O24 | H241 | 109.5° | 114.0° |
| C23 | C21 | C19 | 119.0° | 120.1° |
| C23 | C21 | F22 | 120.3° | 120.0° |
| C21 | C19 | F20 | 119.6° | 120.0° |
| C19 | C21 | F22 | 120.5° | 119.9° |
| H102 | C10 | H101 | 109.5° | 109.4° |
| H012 | C01 | H011 | 109.4° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C34 | C03 | 179.1° | 179.7° |
| C01 | C02 | C34 | C33 | 179.7° | 179.8° |
| C01 | C02 | C03 | C04 | 179.0° | 180.0° |
| C02 | C01 | H012 | H011 | 120.0° | 119.9° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 119.9° |
| C01 | C02 | C03 | H031 | 0.9° | 0.0° |
| C01 | C02 | C34 | H341 | 0.4° | 0.0° |
| C02 | C34 | C33 | H341 | 180.0° | 179.8° |
| C34 | C02 | C03 | C04 | 1.9° | 0.3° |
| C02 | C34 | C33 | C05 | 0.9° | 0.6° |
| C34 | C02 | C01 | H012 | 89.5° | 90.0° |
| C34 | C02 | C01 | H011 | 150.5° | 150.0° |
| C34 | C02 | C01 | H013 | 30.5° | 30.1° |
| C34 | C02 | C03 | H031 | 178.1° | 179.7° |
| C02 | C34 | C33 | H331 | 179.1° | 179.7° |
| C03 | C02 | C34 | C33 | 0.6° | 0.6° |
| C02 | C03 | C04 | H031 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 3.5° | 0.0° |
| C03 | C02 | C01 | H012 | 89.5° | 89.7° |
| C03 | C02 | C01 | H011 | 30.5° | 30.3° |
| C03 | C02 | C01 | H013 | 150.5° | 150.2° |
| C02 | C03 | C04 | H041 | 176.5° | 179.9° |
| C03 | C02 | C34 | H341 | 179.4° | 179.7° |
| C34 | C33 | C05 | H331 | 180.0° | 179.7° |
| C34 | C33 | C05 | C04 | 2.4° | 0.3° |
| C34 | C33 | C05 | S06 | 178.9° | 179.8° |
| C03 | C04 | C05 | C33 | 3.7° | 0.0° |
| C03 | C04 | C05 | H041 | 180.0° | 179.9° |
| C03 | C04 | C05 | S06 | 177.5° | 180.0° |
| C33 | C05 | C04 | S06 | 178.7° | 179.9° |
| C33 | C05 | S06 | C07 | 155.6° | 0.0° |
| C33 | C05 | C04 | H041 | 176.3° | 179.9° |
| C05 | C33 | C34 | H341 | 179.2° | 179.7° |
| N29 | N30 | N15 | C14 | 179.2° | 179.7° |
| N29 | N30 | N15 | C16 | 4.8° | 0.3° |
| N30 | N29 | C17 | C16 | 1.2° | 0.4° |
| N30 | N29 | C17 | C18 | 178.9° | 179.8° |
| N15 | N30 | N29 | C17 | 3.7° | 0.5° |
| N30 | N15 | C14 | C16 | 174.8° | 179.9° |
| N30 | N15 | C14 | C31 | 116.8° | 145.0° |
| N30 | N15 | C14 | C12 | 117.5° | 95.4° |
| N30 | N15 | C16 | C17 | 4.1° | 0.0° |
| N30 | N15 | C14 | H141 | 2.4° | 24.9° |
| N30 | N15 | C16 | H161 | 176.0° | 179.9° |
| O32 | C31 | C14 | N15 | 61.5° | 63.3° |
| O32 | C31 | C14 | C07 | 119.0° | 119.9° |
| O32 | C31 | C14 | H311 | 122.0° | 120.2° |
| O32 | C31 | C14 | C12 | 173.5° | 176.9° |
| O32 | C31 | C07 | S06 | 58.2° | 62.5° |
| O32 | C31 | C07 | H311 | 121.4° | 120.2° |
| O32 | C31 | C07 | O08 | 177.9° | 177.5° |
| O32 | C31 | C07 | H071 | 56.5° | 57.5° |
| O32 | C31 | C14 | H141 | 58.1° | 56.9° |
| C04 | C05 | S06 | C07 | 25.6° | 180.0° |
| C05 | C04 | C03 | H031 | 176.5° | 180.0° |
| C04 | C05 | C33 | H331 | 177.6° | 180.0° |
| C05 | S06 | C07 | C31 | 150.0° | 175.0° |
| C05 | S06 | C07 | O08 | 84.8° | 65.1° |
| S06 | C05 | C04 | H041 | 2.5° | 0.0° |
| C05 | S06 | C07 | H071 | 33.2° | 55.0° |
| S06 | C05 | C33 | H331 | 1.1° | 0.0° |
| F28 | C27 | C25 | F26 | 2.4° | 0.1° |
| F28 | C27 | C25 | C18 | 173.9° | 179.7° |
| F28 | C27 | C18 | C17 | 5.8° | 0.0° |
| F28 | C27 | C25 | C23 | 179.7° | 180.0° |
| F28 | C27 | C18 | C19 | 179.4° | 180.0° |
| N29 | C17 | C16 | N15 | 1.8° | 0.3° |
| N29 | C17 | C18 | C27 | 25.8° | 179.7° |
| N29 | C17 | C16 | C18 | 179.9° | 179.7° |
| N29 | C17 | C18 | C19 | 146.9° | 0.3° |
| N29 | C17 | C16 | H161 | 178.2° | 179.8° |
| N15 | C14 | C31 | C12 | 125.1° | 119.9° |
| N15 | C14 | C31 | H141 | 119.6° | 120.2° |
| N15 | C14 | C12 | H141 | 115.8° | 120.2° |
| N15 | C14 | C31 | C07 | 179.6° | 176.8° |
| C14 | N15 | C16 | C17 | 179.4° | 180.0° |
| N15 | C14 | C12 | C09 | 177.0° | 176.8° |
| N15 | C14 | C12 | O13 | 63.7° | 56.9° |
| N15 | C14 | C12 | H121 | 58.7° | 63.2° |
| C14 | N15 | C16 | H161 | 0.6° | 0.1° |
| N15 | C14 | C31 | H311 | 60.6° | 57.0° |
| C31 | C14 | C12 | H141 | 115.7° | 119.9° |
| C14 | C31 | C07 | S06 | 177.4° | 177.6° |
| C14 | C31 | C07 | H311 | 119.4° | 119.9° |
| C14 | C31 | C07 | O08 | 58.6° | 57.6° |
| C31 | C14 | N15 | C16 | 58.1° | 35.0° |
| C31 | C14 | C12 | C09 | 54.5° | 57.0° |
| C31 | C14 | C12 | O13 | 64.8° | 62.9° |
| C14 | C31 | C07 | H071 | 62.7° | 62.4° |
| C31 | C14 | C12 | H121 | 172.9° | 176.9° |
| C14 | C31 | O32 | H321 | 180.0° | 179.7° |
| C12 | C14 | C31 | C07 | 54.5° | 57.0° |
| C12 | C14 | N15 | C16 | 67.7° | 84.5° |
| C14 | C12 | C09 | O08 | 57.1° | 57.6° |
| C14 | C12 | C09 | O13 | 119.4° | 119.9° |
| C14 | C12 | C09 | H121 | 118.6° | 120.0° |
| C14 | C12 | C09 | C10 | 176.3° | 177.6° |
| C14 | C12 | O13 | H121 | 121.2° | 120.2° |
| C14 | C12 | C09 | H091 | 63.2° | 62.4° |
| C12 | C14 | C31 | H311 | 64.5° | 62.9° |
| C14 | C12 | O13 | H131 | 180.0° | 179.7° |
| S06 | C07 | C31 | O08 | 123.9° | 120.0° |
| S06 | C07 | C31 | H071 | 114.7° | 120.0° |
| S06 | C07 | O08 | H071 | 114.5° | 120.0° |
| S06 | C07 | O08 | C09 | 170.3° | 178.8° |
| S06 | C07 | C31 | H311 | 63.2° | 57.7° |
| C31 | C07 | O08 | H071 | 120.2° | 120.0° |
| C31 | C07 | O08 | C09 | 64.4° | 61.2° |
| C07 | C31 | C14 | H141 | 60.9° | 63.0° |
| C07 | C31 | O32 | H321 | 62.0° | 60.0° |
| C07 | O08 | C09 | C12 | 63.1° | 61.2° |
| C07 | O08 | C09 | C10 | 174.3° | 178.8° |
| C07 | O08 | C09 | H091 | 55.8° | 58.8° |
| O08 | C07 | C31 | H311 | 60.7° | 62.3° |
| N15 | C16 | C17 | H161 | 180.0° | 179.9° |
| N15 | C16 | C17 | C18 | 178.1° | 180.0° |
| C16 | N15 | C14 | H141 | 177.3° | 155.2° |
| F26 | C25 | C27 | C23 | 177.9° | 179.9° |
| F26 | C25 | C27 | C18 | 176.2° | 179.7° |
| F26 | C25 | C23 | O24 | 0.5° | 0.0° |
| F26 | C25 | C23 | C21 | 178.3° | 179.9° |
| C25 | C27 | C18 | C17 | 180.0° | 179.7° |
| C25 | C27 | C18 | C19 | 6.4° | 0.3° |
| C27 | C25 | C23 | O24 | 177.4° | 179.9° |
| C27 | C25 | C23 | C21 | 3.8° | 0.0° |
| C27 | C18 | C17 | C16 | 154.3° | 0.0° |
| C27 | C18 | C17 | C19 | 172.7° | 180.0° |
| C18 | C27 | C25 | C23 | 5.9° | 0.3° |
| C27 | C18 | C19 | C21 | 6.1° | 0.0° |
| C27 | C18 | C19 | F20 | 176.2° | 179.9° |
| C16 | C17 | C18 | C19 | 32.9° | 180.0° |
| C17 | C18 | C19 | C21 | 179.5° | 180.0° |
| C17 | C18 | C19 | F20 | 2.8° | 0.1° |
| C18 | C17 | C16 | H161 | 1.9° | 0.0° |
| O08 | C09 | C12 | C10 | 119.1° | 120.0° |
| O08 | C09 | C12 | H091 | 120.3° | 120.0° |
| O08 | C09 | C10 | H091 | 119.3° | 120.0° |
| O08 | C09 | C12 | O13 | 62.2° | 62.3° |
| O08 | C09 | C10 | O11 | 66.0° | 65.0° |
| O08 | C09 | C10 | H102 | 173.3° | 175.0° |
| O08 | C09 | C10 | H101 | 54.6° | 55.0° |
| C09 | O08 | C07 | H071 | 55.9° | 58.8° |
| O08 | C09 | C12 | H121 | 175.7° | 177.6° |
| C12 | C09 | C10 | H091 | 119.8° | 120.0° |
| C09 | C12 | O13 | H121 | 120.7° | 120.1° |
| C12 | C09 | C10 | O11 | 173.1° | 175.0° |
| C12 | C09 | C10 | H102 | 52.4° | 55.0° |
| C12 | C09 | C10 | H101 | 66.2° | 65.0° |
| C09 | C12 | C14 | H141 | 61.2° | 62.9° |
| C09 | C12 | O13 | H131 | 61.9° | 60.0° |
| C10 | C09 | C12 | O13 | 56.9° | 57.7° |
| C09 | C10 | O11 | H102 | 120.7° | 120.1° |
| C09 | C10 | O11 | H101 | 120.7° | 120.0° |
| C09 | C10 | H102 | H101 | 117.9° | 120.0° |
| C10 | C09 | C12 | H121 | 65.1° | 62.4° |
| C09 | C10 | O11 | H111 | 180.0° | 179.9° |
| C25 | C23 | O24 | C21 | 178.7° | 180.0° |
| C25 | C23 | C21 | C19 | 3.3° | 0.3° |
| C25 | C23 | C21 | F22 | 178.7° | 180.0° |
| C25 | C23 | O24 | H241 | 180.0° | 90.0° |
| O13 | C12 | C09 | H091 | 177.4° | 177.7° |
| O13 | C12 | C14 | H141 | 179.5° | 177.2° |
| C18 | C19 | C21 | C23 | 4.9° | 0.3° |
| C18 | C19 | C21 | F20 | 177.5° | 179.9° |
| C18 | C19 | C21 | F22 | 179.6° | 180.0° |
| O11 | C10 | H102 | H101 | 118.0° | 120.0° |
| O11 | C10 | C09 | H091 | 53.2° | 55.1° |
| O24 | C23 | C21 | C19 | 177.9° | 179.7° |
| O24 | C23 | C21 | F22 | 2.5° | 0.0° |
| C23 | C21 | C19 | F22 | 175.4° | 179.7° |
| C23 | C21 | C19 | F20 | 177.5° | 179.8° |
| C21 | C23 | O24 | H241 | 1.3° | 90.0° |
| F20 | C19 | C21 | F22 | 2.1° | 0.1° |
| H102 | C10 | C09 | H091 | 67.4° | 65.0° |
| H102 | C10 | O11 | H111 | 59.4° | 60.0° |
| H101 | C10 | C09 | H091 | 173.9° | 175.0° |
| H101 | C10 | O11 | H111 | 59.3° | 59.9° |
| H012 | C01 | H011 | H013 | 120.0° | 120.1° |
| H031 | C03 | C04 | H041 | 3.5° | 0.1° |
| H071 | C07 | C31 | H311 | 177.9° | 177.7° |
| H091 | C09 | C12 | H121 | 55.4° | 57.6° |
| H121 | C12 | C14 | H141 | 57.2° | 57.0° |
| H121 | C12 | O13 | H131 | 58.8° | 60.1° |
| H141 | C14 | C31 | H311 | 179.9° | 177.1° |
| H311 | C31 | O32 | H321 | 58.5° | 60.1° |
| H331 | C33 | C34 | H341 | 0.9° | 0.0° |
