T4T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C11 | sing | 1.53Å | 1.54Å | |
| C11 | C09 | sing | 1.53Å | 1.52Å | |
| C09 | C07 | sing | 1.53Å | 1.54Å | |
| C07 | C05 | sing | 1.53Å | 1.54Å | |
| C05 | C04 | sing | 1.53Å | 1.55Å | |
| C04 | C06 | sing | 1.53Å | 1.54Å | |
| C06 | C08 | sing | 1.53Å | 1.55Å | |
| C08 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C12 | sing | 1.53Å | 1.54Å | |
| C12 | C14 | sing | 1.53Å | 1.54Å | |
| S01 | C18 | sing | 1.81Å | 1.81Å | |
| S01 | C16 | sing | 1.81Å | 1.81Å | |
| C14 | C16 | sing | 1.53Å | 1.51Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C19 | O02 | doub | 1.21Å | 1.25Å | |
| C19 | O03 | sing | 1.34Å | 1.24Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| O03 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C15 | C13 | 113.5° | 109.5° |
| C17 | C15 | H152 | 108.5° | 109.4° |
| C17 | C15 | H151 | 108.5° | 109.4° |
| C15 | C17 | H171 | 109.5° | 109.4° |
| C15 | C17 | H172 | 109.5° | 109.5° |
| C15 | C17 | H173 | 109.5° | 109.5° |
| C15 | C13 | C11 | 109.4° | 109.5° |
| C15 | C13 | H132 | 109.5° | 109.4° |
| C15 | C13 | H131 | 109.5° | 109.5° |
| C13 | C15 | H152 | 108.5° | 109.5° |
| C13 | C15 | H151 | 108.4° | 109.5° |
| C13 | C11 | C09 | 114.9° | 109.5° |
| C13 | C11 | H112 | 108.1° | 109.5° |
| C13 | C11 | H111 | 108.1° | 109.5° |
| C11 | C13 | H132 | 109.5° | 109.5° |
| C11 | C13 | H131 | 109.5° | 109.5° |
| C11 | C09 | C07 | 111.0° | 109.5° |
| C11 | C09 | H092 | 109.1° | 109.5° |
| C11 | C09 | H091 | 109.1° | 109.5° |
| C09 | C11 | H112 | 108.1° | 109.4° |
| C09 | C11 | H111 | 108.1° | 109.5° |
| C09 | C07 | C05 | 114.7° | 109.5° |
| C09 | C07 | H071 | 108.2° | 109.5° |
| C09 | C07 | H072 | 108.2° | 109.5° |
| C07 | C09 | H092 | 109.1° | 109.4° |
| C07 | C09 | H091 | 109.1° | 109.5° |
| C07 | C05 | C04 | 109.8° | 109.5° |
| C07 | C05 | H052 | 109.4° | 109.4° |
| C07 | C05 | H051 | 109.4° | 109.5° |
| C05 | C07 | H071 | 108.1° | 109.4° |
| C05 | C07 | H072 | 108.1° | 109.5° |
| C05 | C04 | C06 | 113.6° | 109.5° |
| C05 | C04 | H042 | 108.4° | 109.5° |
| C05 | C04 | H041 | 108.5° | 109.4° |
| C04 | C05 | H052 | 109.4° | 109.5° |
| C04 | C05 | H051 | 109.4° | 109.5° |
| C04 | C06 | C08 | 113.2° | 109.5° |
| C06 | C04 | H042 | 108.4° | 109.5° |
| C06 | C04 | H041 | 108.4° | 109.5° |
| C04 | C06 | H061 | 108.5° | 109.5° |
| C04 | C06 | H062 | 108.5° | 109.4° |
| C06 | C08 | C10 | 109.2° | 109.5° |
| C08 | C06 | H061 | 108.6° | 109.5° |
| C08 | C06 | H062 | 108.5° | 109.5° |
| C06 | C08 | H082 | 109.5° | 109.5° |
| C06 | C08 | H081 | 109.5° | 109.5° |
| C08 | C10 | C12 | 118.0° | 109.5° |
| C10 | C08 | H082 | 109.5° | 109.5° |
| C10 | C08 | H081 | 109.6° | 109.4° |
| C08 | C10 | H101 | 107.3° | 109.5° |
| C08 | C10 | H102 | 107.3° | 109.4° |
| C10 | C12 | C14 | 104.6° | 109.5° |
| C12 | C10 | H101 | 107.3° | 109.5° |
| C12 | C10 | H102 | 107.3° | 109.5° |
| C10 | C12 | H122 | 110.7° | 109.5° |
| C10 | C12 | H121 | 110.7° | 109.4° |
| C12 | C14 | C16 | 111.9° | 109.5° |
| C14 | C12 | H122 | 110.7° | 109.5° |
| C14 | C12 | H121 | 110.7° | 109.5° |
| C12 | C14 | H142 | 108.9° | 109.5° |
| C12 | C14 | H141 | 108.9° | 109.4° |
| C18 | S01 | C16 | 105.9° | 103.0° |
| S01 | C18 | C19 | 107.8° | 109.5° |
| S01 | C18 | H182 | 109.9° | 109.4° |
| S01 | C18 | H181 | 109.9° | 109.5° |
| S01 | C16 | C14 | 112.4° | 109.5° |
| S01 | C16 | H161 | 108.8° | 109.5° |
| S01 | C16 | H162 | 108.7° | 109.4° |
| C16 | C14 | H142 | 108.9° | 109.5° |
| C16 | C14 | H141 | 108.9° | 109.4° |
| C14 | C16 | H161 | 108.7° | 109.5° |
| C14 | C16 | H162 | 108.8° | 109.5° |
| C18 | C19 | O02 | 122.0° | 120.0° |
| C18 | C19 | O03 | 116.3° | 120.0° |
| C19 | C18 | H182 | 109.9° | 109.5° |
| C19 | C18 | H181 | 109.9° | 109.6° |
| O02 | C19 | O03 | 121.6° | 120.0° |
| C19 | O03 | H1 | 109.5° | 117.0° |
| H042 | C04 | H041 | 109.5° | 109.5° |
| H052 | C05 | H051 | 109.5° | 109.5° |
| H061 | C06 | H062 | 109.5° | 109.5° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H082 | C08 | H081 | 109.4° | 109.5° |
| H092 | C09 | H091 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H112 | C11 | H111 | 109.5° | 109.5° |
| H122 | C12 | H121 | 109.5° | 109.5° |
| H132 | C13 | H131 | 109.5° | 109.5° |
| H142 | C14 | H141 | 109.5° | 109.6° |
| H152 | C15 | H151 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.4° | 109.5° |
| H171 | C17 | H173 | 109.5° | 109.5° |
| H172 | C17 | H173 | 109.5° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C15 | C13 | H152 | 120.6° | 119.9° |
| C17 | C15 | C13 | H151 | 120.6° | 120.0° |
| C17 | C15 | C13 | C11 | 176.9° | 180.0° |
| C17 | C15 | C13 | H132 | 56.9° | 60.0° |
| C17 | C15 | C13 | H131 | 63.1° | 59.9° |
| C17 | C15 | H152 | H151 | 118.2° | 119.9° |
| C15 | C17 | H171 | H172 | 120.0° | 119.9° |
| C15 | C17 | H171 | H173 | 120.0° | 120.0° |
| C15 | C17 | H172 | H173 | 120.0° | 120.1° |
| C15 | C13 | C11 | H132 | 120.0° | 119.9° |
| C15 | C13 | C11 | H131 | 120.0° | 120.0° |
| C15 | C13 | C11 | C09 | 160.4° | 180.0° |
| C15 | C13 | C11 | H112 | 39.6° | 60.1° |
| C15 | C13 | C11 | H111 | 78.8° | 60.0° |
| C15 | C13 | H132 | H131 | 120.0° | 120.0° |
| C13 | C15 | H152 | H151 | 118.1° | 120.1° |
| C13 | C15 | C17 | H171 | 180.0° | 60.0° |
| C13 | C15 | C17 | H172 | 60.0° | 59.9° |
| C13 | C15 | C17 | H173 | 60.0° | 180.0° |
| C13 | C11 | C09 | H112 | 120.8° | 120.0° |
| C13 | C11 | C09 | H111 | 120.8° | 120.1° |
| C13 | C11 | C09 | C07 | 168.7° | 180.0° |
| C13 | C11 | C09 | H092 | 48.5° | 60.1° |
| C13 | C11 | C09 | H091 | 71.0° | 60.0° |
| C13 | C11 | H112 | H111 | 117.5° | 120.0° |
| C11 | C13 | H132 | H131 | 120.1° | 120.0° |
| C11 | C13 | C15 | H152 | 62.5° | 60.1° |
| C11 | C13 | C15 | H151 | 56.3° | 60.0° |
| C11 | C09 | C07 | H092 | 120.2° | 119.9° |
| C11 | C09 | C07 | H091 | 120.2° | 120.1° |
| C11 | C09 | C07 | C05 | 76.8° | 180.0° |
| C11 | C09 | C07 | H071 | 44.0° | 60.1° |
| C11 | C09 | C07 | H072 | 162.5° | 60.0° |
| C11 | C09 | H092 | H091 | 119.3° | 120.1° |
| C09 | C11 | H112 | H111 | 117.5° | 120.0° |
| C09 | C11 | C13 | H132 | 79.6° | 60.1° |
| C09 | C11 | C13 | H131 | 40.4° | 60.0° |
| C09 | C07 | C05 | H071 | 120.8° | 120.0° |
| C09 | C07 | C05 | H072 | 120.8° | 120.1° |
| C09 | C07 | C05 | C04 | 160.2° | 180.0° |
| C09 | C07 | C05 | H052 | 40.1° | 60.0° |
| C09 | C07 | C05 | H051 | 79.7° | 59.9° |
| C09 | C07 | H071 | H072 | 117.6° | 120.0° |
| C07 | C09 | H092 | H091 | 119.3° | 120.0° |
| C07 | C09 | C11 | H112 | 70.5° | 60.0° |
| C07 | C09 | C11 | H111 | 47.9° | 59.9° |
| C07 | C05 | C04 | H052 | 120.0° | 119.9° |
| C07 | C05 | C04 | H051 | 120.1° | 120.0° |
| C07 | C05 | C04 | C06 | 171.7° | 180.0° |
| C07 | C05 | C04 | H042 | 51.1° | 60.0° |
| C07 | C05 | C04 | H041 | 67.7° | 60.1° |
| C07 | C05 | H052 | H051 | 119.8° | 120.0° |
| C05 | C07 | H071 | H072 | 117.6° | 120.0° |
| C05 | C07 | C09 | H092 | 163.0° | 60.1° |
| C05 | C07 | C09 | H091 | 43.5° | 59.9° |
| C05 | C04 | C06 | H042 | 120.6° | 120.0° |
| C05 | C04 | C06 | H041 | 120.6° | 119.9° |
| C05 | C04 | C06 | C08 | 168.1° | 180.0° |
| C05 | C04 | H042 | H041 | 118.1° | 119.9° |
| C04 | C05 | H052 | H051 | 119.8° | 120.0° |
| C05 | C04 | C06 | H061 | 47.5° | 59.9° |
| C05 | C04 | C06 | H062 | 71.3° | 60.0° |
| C04 | C05 | C07 | H071 | 79.0° | 60.0° |
| C04 | C05 | C07 | H072 | 39.4° | 59.9° |
| C04 | C06 | C08 | H061 | 120.5° | 120.0° |
| C04 | C06 | C08 | H062 | 120.6° | 119.9° |
| C04 | C06 | C08 | C10 | 72.4° | 180.0° |
| C06 | C04 | H042 | H041 | 118.1° | 120.1° |
| C06 | C04 | C05 | H052 | 68.2° | 60.1° |
| C06 | C04 | C05 | H051 | 51.7° | 60.0° |
| C04 | C06 | H061 | H062 | 118.3° | 120.0° |
| C04 | C06 | C08 | H082 | 167.6° | 60.0° |
| C04 | C06 | C08 | H081 | 47.5° | 60.1° |
| C06 | C08 | C10 | H082 | 120.0° | 120.1° |
| C06 | C08 | C10 | H081 | 120.0° | 120.0° |
| C06 | C08 | C10 | C12 | 175.1° | 180.0° |
| C08 | C06 | C04 | H042 | 71.3° | 60.0° |
| C08 | C06 | C04 | H041 | 47.5° | 60.1° |
| C08 | C06 | H061 | H062 | 118.3° | 120.0° |
| C06 | C08 | H082 | H081 | 120.1° | 120.0° |
| C06 | C08 | C10 | H101 | 53.9° | 59.9° |
| C06 | C08 | C10 | H102 | 63.7° | 60.0° |
| C08 | C10 | C12 | H101 | 121.2° | 120.0° |
| C08 | C10 | C12 | H102 | 121.2° | 119.9° |
| C08 | C10 | C12 | C14 | 135.2° | 180.0° |
| C10 | C08 | C06 | H061 | 48.1° | 60.0° |
| C10 | C08 | C06 | H062 | 167.0° | 60.1° |
| C10 | C08 | H082 | H081 | 120.1° | 119.9° |
| C08 | C10 | H101 | H102 | 116.2° | 119.9° |
| C08 | C10 | C12 | H122 | 16.0° | 59.9° |
| C08 | C10 | C12 | H121 | 105.6° | 60.0° |
| C10 | C12 | C14 | H122 | 119.2° | 120.0° |
| C10 | C12 | C14 | H121 | 119.2° | 119.9° |
| C10 | C12 | C14 | C16 | 136.3° | 180.0° |
| C12 | C10 | C08 | H082 | 64.9° | 59.9° |
| C12 | C10 | C08 | H081 | 55.2° | 60.0° |
| C12 | C10 | H101 | H102 | 116.1° | 120.0° |
| C10 | C12 | H122 | H121 | 122.3° | 119.9° |
| C10 | C12 | C14 | H142 | 15.9° | 60.0° |
| C10 | C12 | C14 | H141 | 103.3° | 60.1° |
| C12 | C14 | C16 | S01 | 94.4° | 180.0° |
| C12 | C14 | C16 | H142 | 120.4° | 120.0° |
| C12 | C14 | C16 | H141 | 120.4° | 119.9° |
| C14 | C12 | C10 | H101 | 103.6° | 60.0° |
| C14 | C12 | C10 | H102 | 14.0° | 60.1° |
| C14 | C12 | H122 | H121 | 122.2° | 120.1° |
| C12 | C14 | H142 | H141 | 118.9° | 120.0° |
| C12 | C14 | C16 | H161 | 26.0° | 60.0° |
| C12 | C14 | C16 | H162 | 145.1° | 60.1° |
| C18 | S01 | C16 | C14 | 73.7° | 180.0° |
| S01 | C18 | C19 | H182 | 119.7° | 119.9° |
| S01 | C18 | C19 | H181 | 119.8° | 120.1° |
| S01 | C18 | C19 | O02 | 58.6° | 0.1° |
| S01 | C18 | C19 | O03 | 124.0° | 180.0° |
| C18 | S01 | C16 | H161 | 165.9° | 59.9° |
| C18 | S01 | C16 | H162 | 46.7° | 60.0° |
| S01 | C18 | H182 | H181 | 120.7° | 119.9° |
| S01 | C16 | C14 | H161 | 120.4° | 120.0° |
| S01 | C16 | C14 | H162 | 120.4° | 119.9° |
| C16 | S01 | C18 | C19 | 51.2° | 180.0° |
| S01 | C16 | C14 | H142 | 25.9° | 60.0° |
| S01 | C16 | C14 | H141 | 145.2° | 60.1° |
| S01 | C16 | H161 | H162 | 118.7° | 120.0° |
| C16 | S01 | C18 | H182 | 170.9° | 60.0° |
| C16 | S01 | C18 | H181 | 68.6° | 59.9° |
| C16 | C14 | C12 | H122 | 104.5° | 60.0° |
| C16 | C14 | C12 | H121 | 17.1° | 60.1° |
| C16 | C14 | H142 | H141 | 118.9° | 120.0° |
| C14 | C16 | H161 | H162 | 118.7° | 120.0° |
| C18 | C19 | O02 | O03 | 177.3° | 179.9° |
| C19 | C18 | H182 | H181 | 120.8° | 120.1° |
| C18 | C19 | O03 | H1 | 177.4° | 180.0° |
| O02 | C19 | C18 | H182 | 61.1° | 120.0° |
| O02 | C19 | C18 | H181 | 178.4° | 120.0° |
| O02 | C19 | O03 | H1 | 0.0° | 0.1° |
| O03 | C19 | C18 | H182 | 116.3° | 60.1° |
| O03 | C19 | C18 | H181 | 4.3° | 59.9° |
| H042 | C04 | C05 | H052 | 171.2° | 60.0° |
| H042 | C04 | C05 | H051 | 68.9° | 180.0° |
| H042 | C04 | C06 | H061 | 168.1° | 179.9° |
| H042 | C04 | C06 | H062 | 49.3° | 60.0° |
| H041 | C04 | C05 | H052 | 52.4° | 180.0° |
| H041 | C04 | C05 | H051 | 172.3° | 60.0° |
| H041 | C04 | C06 | H061 | 73.1° | 60.0° |
| H041 | C04 | C06 | H062 | 168.0° | 179.9° |
| H052 | C05 | C07 | H071 | 160.9° | 180.0° |
| H052 | C05 | C07 | H072 | 80.6° | 60.1° |
| H051 | C05 | C07 | H071 | 41.0° | 60.1° |
| H051 | C05 | C07 | H072 | 159.5° | 180.0° |
| H061 | C06 | C08 | H082 | 71.9° | 180.0° |
| H061 | C06 | C08 | H081 | 168.1° | 60.0° |
| H062 | C06 | C08 | H082 | 47.0° | 60.0° |
| H062 | C06 | C08 | H081 | 73.0° | 180.0° |
| H071 | C07 | C09 | H092 | 76.2° | 180.0° |
| H071 | C07 | C09 | H091 | 164.2° | 60.0° |
| H072 | C07 | C09 | H092 | 42.2° | 60.0° |
| H072 | C07 | C09 | H091 | 77.3° | 180.0° |
| H082 | C08 | C10 | H101 | 173.9° | 180.0° |
| H082 | C08 | C10 | H102 | 56.3° | 60.0° |
| H081 | C08 | C10 | H101 | 66.0° | 60.0° |
| H081 | C08 | C10 | H102 | 176.4° | 180.0° |
| H092 | C09 | C11 | H112 | 169.3° | 179.9° |
| H092 | C09 | C11 | H111 | 72.3° | 60.0° |
| H091 | C09 | C11 | H112 | 49.7° | 60.0° |
| H091 | C09 | C11 | H111 | 168.2° | 180.0° |
| H101 | C10 | C12 | H122 | 137.2° | 180.0° |
| H101 | C10 | C12 | H121 | 15.6° | 60.0° |
| H102 | C10 | C12 | H122 | 105.2° | 60.0° |
| H102 | C10 | C12 | H121 | 133.2° | 180.0° |
| H112 | C11 | C13 | H132 | 159.6° | 180.0° |
| H112 | C11 | C13 | H131 | 80.3° | 60.0° |
| H111 | C11 | C13 | H132 | 41.2° | 60.0° |
| H111 | C11 | C13 | H131 | 161.2° | 180.0° |
| H122 | C12 | C14 | H142 | 135.2° | 180.0° |
| H122 | C12 | C14 | H141 | 15.9° | 60.0° |
| H121 | C12 | C14 | H142 | 103.3° | 59.9° |
| H121 | C12 | C14 | H141 | 137.4° | 180.0° |
| H132 | C13 | C15 | H152 | 177.5° | 180.0° |
| H132 | C13 | C15 | H151 | 63.7° | 60.0° |
| H131 | C13 | C15 | H152 | 57.5° | 60.0° |
| H131 | C13 | C15 | H151 | 176.3° | 179.9° |
| H142 | C14 | C16 | H161 | 146.4° | 179.9° |
| H142 | C14 | C16 | H162 | 94.5° | 59.9° |
| H141 | C14 | C16 | H161 | 94.3° | 60.0° |
| H141 | C14 | C16 | H162 | 24.8° | 180.0° |
| H152 | C15 | C17 | H171 | 59.4° | 180.0° |
| H152 | C15 | C17 | H172 | 60.6° | 60.1° |
| H152 | C15 | C17 | H173 | 179.4° | 60.0° |
| H151 | C15 | C17 | H171 | 59.4° | 60.0° |
| H151 | C15 | C17 | H172 | 179.4° | 180.0° |
| H151 | C15 | C17 | H173 | 60.6° | 60.0° |
| H171 | C17 | H172 | H173 | 120.0° | 120.0° |
