6O9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.51Å | 1.52Å | |
| O18 | C13 | doub | 1.21Å | 1.18Å | |
| C13 | O12 | sing | 1.34Å | 1.40Å | |
| O12 | C11 | sing | 1.45Å | 1.40Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| O19 | C10 | sing | 1.45Å | 1.40Å | |
| O19 | C20 | sing | 1.34Å | 1.40Å | |
| C21 | C20 | sing | 1.51Å | 1.53Å | |
| C10 | C09 | sing | 1.53Å | 1.52Å | |
| C20 | O22 | doub | 1.21Å | 1.18Å | |
| C09 | O08 | sing | 1.43Å | 1.40Å | |
| O08 | P05 | sing | 1.61Å | 1.64Å | |
| P05 | O07 | doub | 1.48Å | 1.51Å | |
| P05 | O04 | sing | 1.61Å | 1.64Å | |
| P05 | O06 | sing | 1.61Å | 1.51Å | |
| O04 | C03 | sing | 1.43Å | 1.40Å | |
| C03 | C02 | sing | 1.53Å | 1.52Å | |
| C02 | N01 | sing | 1.47Å | 1.44Å | |
| N01 | H012 | sing | 1.01Å | 1.00Å | |
| N01 | H011 | sing | 1.01Å | 1.00Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| O06 | H2 | sing | 0.97Å | 0.95Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | 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 | H173 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C16 | C15 | 114.2° | 109.5° |
| C17 | C16 | H161 | 108.3° | 109.5° |
| C17 | C16 | H162 | 108.3° | 109.5° |
| C16 | C17 | H173 | 109.5° | 109.5° |
| C16 | C17 | H172 | 109.5° | 109.5° |
| C16 | C17 | H3 | 109.5° | 109.5° |
| C16 | C15 | C14 | 111.4° | 109.5° |
| C16 | C15 | H152 | 109.0° | 109.4° |
| C16 | C15 | H151 | 109.0° | 109.5° |
| C15 | C16 | H161 | 108.3° | 109.4° |
| C15 | C16 | H162 | 108.3° | 109.5° |
| C15 | C14 | C13 | 114.1° | 109.5° |
| C15 | C14 | H141 | 108.3° | 109.5° |
| C15 | C14 | H142 | 108.3° | 109.5° |
| C14 | C15 | H152 | 109.0° | 109.5° |
| C14 | C15 | H151 | 109.0° | 109.5° |
| C14 | C13 | O18 | 120.3° | 120.0° |
| C14 | C13 | O12 | 119.2° | 120.0° |
| C13 | C14 | H141 | 108.3° | 109.5° |
| C13 | C14 | H142 | 108.3° | 109.4° |
| O18 | C13 | O12 | 120.5° | 120.0° |
| C13 | O12 | C11 | 114.1° | 117.0° |
| O12 | C11 | C10 | 108.9° | 109.4° |
| O12 | C11 | H111 | 109.6° | 109.5° |
| O12 | C11 | H112 | 109.6° | 109.5° |
| C11 | C10 | O19 | 108.5° | 109.5° |
| C11 | C10 | C09 | 112.1° | 109.5° |
| C11 | C10 | H101 | 108.7° | 109.4° |
| C10 | C11 | H111 | 109.6° | 109.4° |
| C10 | C11 | H112 | 109.6° | 109.5° |
| C10 | O19 | C20 | 115.0° | 117.0° |
| O19 | C10 | C09 | 108.3° | 109.5° |
| O19 | C10 | H101 | 110.5° | 109.5° |
| O19 | C20 | C21 | 120.1° | 120.0° |
| O19 | C20 | O22 | 120.1° | 120.0° |
| C21 | C20 | O22 | 119.8° | 120.0° |
| C20 | C21 | H213 | 109.5° | 109.4° |
| C20 | C21 | H212 | 109.5° | 109.5° |
| C20 | C21 | H4 | 109.5° | 109.5° |
| C10 | C09 | O08 | 108.9° | 109.5° |
| C10 | C09 | H092 | 109.6° | 109.5° |
| C10 | C09 | H091 | 109.6° | 109.5° |
| C09 | C10 | H101 | 108.7° | 109.5° |
| C09 | O08 | P05 | 118.3° | 123.0° |
| O08 | C09 | H092 | 109.6° | 109.5° |
| O08 | C09 | H091 | 109.6° | 109.5° |
| O08 | P05 | O07 | 110.2° | 109.5° |
| O08 | P05 | O04 | 108.8° | 109.5° |
| O08 | P05 | O06 | 109.3° | 109.5° |
| O07 | P05 | O04 | 110.0° | 109.4° |
| O07 | P05 | O06 | 109.8° | 109.5° |
| O04 | P05 | O06 | 108.8° | 109.5° |
| P05 | O04 | C03 | 117.3° | 123.0° |
| P05 | O06 | H2 | 109.5° | 114.1° |
| O04 | C03 | C02 | 108.7° | 109.5° |
| O04 | C03 | H032 | 109.7° | 109.5° |
| O04 | C03 | H031 | 109.7° | 109.5° |
| C03 | C02 | N01 | 108.6° | 109.5° |
| C03 | C02 | H022 | 109.7° | 109.5° |
| C03 | C02 | H021 | 109.7° | 109.5° |
| C02 | C03 | H032 | 109.7° | 109.4° |
| C02 | C03 | H031 | 109.7° | 109.5° |
| C02 | N01 | H012 | 109.5° | 111.1° |
| C02 | N01 | H011 | 109.5° | 111.0° |
| N01 | C02 | H022 | 109.7° | 109.5° |
| N01 | C02 | H021 | 109.7° | 109.4° |
| H012 | N01 | H011 | 109.4° | 111.0° |
| H022 | C02 | H021 | 109.4° | 109.5° |
| H032 | C03 | H031 | 109.5° | 109.5° |
| H092 | C09 | H091 | 109.5° | 109.4° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H152 | C15 | H151 | 109.4° | 109.4° |
| H161 | C16 | H162 | 109.5° | 109.4° |
| H173 | C17 | H172 | 109.5° | 109.5° |
| H173 | C17 | H3 | 109.5° | 109.5° |
| H172 | C17 | H3 | 109.4° | 109.5° |
| H213 | C21 | H212 | 109.5° | 109.5° |
| H213 | C21 | H4 | 109.5° | 109.5° |
| H212 | C21 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C16 | C15 | H161 | 120.7° | 120.0° |
| C17 | C16 | C15 | H162 | 120.7° | 120.1° |
| C17 | C16 | C15 | C14 | 167.4° | 180.0° |
| C17 | C16 | C15 | H152 | 72.3° | 60.0° |
| C17 | C16 | C15 | H151 | 47.1° | 60.0° |
| C17 | C16 | H161 | H162 | 117.8° | 120.0° |
| C16 | C17 | H173 | H172 | 120.0° | 120.0° |
| C16 | C17 | H173 | H3 | 120.0° | 120.0° |
| C16 | C17 | H172 | H3 | 120.0° | 120.0° |
| C16 | C15 | C14 | H152 | 120.3° | 120.0° |
| C16 | C15 | C14 | H151 | 120.3° | 120.0° |
| C16 | C15 | C14 | C13 | 159.0° | 180.0° |
| C16 | C15 | C14 | H141 | 80.4° | 60.0° |
| C16 | C15 | C14 | H142 | 38.2° | 60.0° |
| C16 | C15 | H152 | H151 | 119.1° | 120.0° |
| C15 | C16 | H161 | H162 | 117.9° | 120.0° |
| C15 | C16 | C17 | H173 | 180.0° | 60.0° |
| C15 | C16 | C17 | H172 | 60.0° | 180.0° |
| C15 | C16 | C17 | H3 | 60.0° | 60.0° |
| C15 | C14 | C13 | H141 | 120.7° | 120.0° |
| C15 | C14 | C13 | H142 | 120.7° | 120.0° |
| C15 | C14 | C13 | O18 | 16.2° | 0.0° |
| C15 | C14 | C13 | O12 | 164.0° | 180.0° |
| C15 | C14 | H141 | H142 | 117.9° | 120.0° |
| C14 | C15 | H152 | H151 | 119.1° | 120.0° |
| C14 | C15 | C16 | H161 | 46.7° | 60.0° |
| C14 | C15 | C16 | H162 | 71.9° | 59.9° |
| C14 | C13 | O18 | O12 | 179.8° | 180.0° |
| C14 | C13 | O12 | C11 | 176.6° | 180.0° |
| C13 | C14 | H141 | H142 | 117.9° | 120.0° |
| C13 | C14 | C15 | H152 | 38.7° | 60.0° |
| C13 | C14 | C15 | H151 | 80.7° | 60.0° |
| O18 | C13 | O12 | C11 | 3.6° | 0.0° |
| O18 | C13 | C14 | H141 | 136.8° | 120.0° |
| O18 | C13 | C14 | H142 | 104.5° | 120.0° |
| C13 | O12 | C11 | C10 | 163.5° | 180.0° |
| C13 | O12 | C11 | H111 | 76.6° | 60.0° |
| C13 | O12 | C11 | H112 | 43.6° | 60.0° |
| O12 | C13 | C14 | H141 | 43.3° | 60.0° |
| O12 | C13 | C14 | H142 | 75.3° | 60.0° |
| O12 | C11 | C10 | H111 | 119.9° | 120.0° |
| O12 | C11 | C10 | H112 | 119.9° | 120.0° |
| O12 | C11 | C10 | O19 | 29.1° | 65.0° |
| O12 | C11 | C10 | C09 | 148.7° | 175.0° |
| O12 | C11 | C10 | H101 | 91.1° | 55.0° |
| O12 | C11 | H111 | H112 | 120.3° | 120.0° |
| C11 | C10 | O19 | C09 | 121.9° | 120.0° |
| C11 | C10 | O19 | H101 | 119.1° | 120.0° |
| C11 | C10 | O19 | C20 | 144.9° | 150.0° |
| C11 | C10 | C09 | H101 | 120.2° | 119.9° |
| C11 | C10 | C09 | O08 | 161.5° | 175.0° |
| C11 | C10 | C09 | H092 | 78.6° | 65.0° |
| C11 | C10 | C09 | H091 | 41.6° | 54.9° |
| C10 | C11 | H111 | H112 | 120.2° | 120.0° |
| C10 | O19 | C20 | C21 | 155.1° | 180.0° |
| O19 | C10 | C09 | H101 | 120.1° | 120.1° |
| C10 | O19 | C20 | O22 | 25.4° | 0.1° |
| O19 | C10 | C09 | O08 | 41.8° | 65.0° |
| O19 | C10 | C09 | H092 | 161.7° | 55.0° |
| O19 | C10 | C09 | H091 | 78.1° | 174.9° |
| O19 | C10 | C11 | H111 | 149.0° | 55.0° |
| O19 | C10 | C11 | H112 | 90.8° | 175.0° |
| O19 | C20 | C21 | O22 | 179.6° | 179.9° |
| C20 | O19 | C10 | C09 | 93.2° | 90.0° |
| C20 | O19 | C10 | H101 | 25.8° | 30.1° |
| O19 | C20 | C21 | H213 | 179.6° | 0.1° |
| O19 | C20 | C21 | H212 | 59.6° | 119.9° |
| O19 | C20 | C21 | H4 | 60.4° | 120.0° |
| C20 | C21 | H213 | H212 | 120.0° | 120.0° |
| C20 | C21 | H213 | H4 | 120.0° | 120.0° |
| C20 | C21 | H212 | H4 | 120.0° | 120.0° |
| C10 | C09 | O08 | H092 | 119.9° | 120.0° |
| C10 | C09 | O08 | H091 | 119.9° | 120.0° |
| C10 | C09 | O08 | P05 | 120.5° | 180.0° |
| C10 | C09 | H092 | H091 | 120.3° | 120.0° |
| C09 | C10 | C11 | H111 | 91.4° | 65.0° |
| C09 | C10 | C11 | H112 | 28.8° | 55.0° |
| O22 | C20 | C21 | H213 | 0.0° | 180.0° |
| O22 | C20 | C21 | H212 | 120.0° | 60.0° |
| O22 | C20 | C21 | H4 | 120.0° | 60.1° |
| C09 | O08 | P05 | O07 | 95.1° | 55.0° |
| C09 | O08 | P05 | O04 | 144.3° | 175.0° |
| C09 | O08 | P05 | O06 | 25.6° | 65.1° |
| O08 | C09 | H092 | H091 | 120.2° | 120.0° |
| O08 | C09 | C10 | H101 | 78.3° | 55.0° |
| O08 | P05 | O07 | O04 | 119.9° | 120.0° |
| O08 | P05 | O07 | O06 | 120.4° | 120.0° |
| O08 | P05 | O04 | O06 | 119.0° | 120.0° |
| O08 | P05 | O04 | C03 | 105.3° | 175.0° |
| O08 | P05 | O06 | H2 | 120.9° | 60.0° |
| P05 | O08 | C09 | H092 | 0.6° | 59.9° |
| P05 | O08 | C09 | H091 | 119.6° | 60.0° |
| O07 | P05 | O04 | O06 | 120.3° | 120.0° |
| O07 | P05 | O04 | C03 | 133.9° | 55.0° |
| O07 | P05 | O06 | H2 | 0.0° | 180.0° |
| P05 | O04 | C03 | C02 | 71.0° | 180.0° |
| P05 | O04 | C03 | H032 | 169.1° | 60.0° |
| P05 | O04 | C03 | H031 | 48.9° | 60.0° |
| O04 | P05 | O06 | H2 | 120.4° | 60.0° |
| O06 | P05 | O04 | C03 | 13.6° | 65.0° |
| O04 | C03 | C02 | H032 | 119.9° | 120.0° |
| O04 | C03 | C02 | H031 | 119.9° | 120.0° |
| O04 | C03 | C02 | N01 | 130.4° | 65.0° |
| O04 | C03 | C02 | H022 | 10.5° | 55.0° |
| O04 | C03 | C02 | H021 | 109.7° | 175.1° |
| O04 | C03 | H032 | H031 | 120.4° | 120.1° |
| C03 | C02 | N01 | H022 | 119.9° | 120.1° |
| C03 | C02 | N01 | H021 | 119.9° | 120.0° |
| C03 | C02 | N01 | H012 | 180.0° | 180.0° |
| C03 | C02 | N01 | H011 | 60.0° | 56.0° |
| C03 | C02 | H022 | H021 | 120.4° | 120.1° |
| C02 | C03 | H032 | H031 | 120.3° | 120.0° |
| C02 | N01 | H012 | H011 | 120.0° | 124.0° |
| N01 | C02 | H022 | H021 | 120.4° | 119.9° |
| N01 | C02 | C03 | H032 | 109.7° | 175.0° |
| N01 | C02 | C03 | H031 | 10.5° | 55.0° |
| H012 | N01 | C02 | H022 | 60.1° | 59.9° |
| H012 | N01 | C02 | H021 | 60.1° | 60.0° |
| H011 | N01 | C02 | H022 | 179.9° | 64.0° |
| H011 | N01 | C02 | H021 | 59.9° | 176.0° |
| H022 | C02 | C03 | H032 | 130.4° | 65.0° |
| H022 | C02 | C03 | H031 | 109.4° | 175.0° |
| H021 | C02 | C03 | H032 | 10.2° | 55.1° |
| H021 | C02 | C03 | H031 | 130.4° | 64.9° |
| H092 | C09 | C10 | H101 | 41.6° | 175.1° |
| H091 | C09 | C10 | H101 | 161.8° | 65.0° |
| H101 | C10 | C11 | H111 | 28.8° | 175.0° |
| H101 | C10 | C11 | H112 | 149.0° | 65.0° |
| H141 | C14 | C15 | H152 | 159.3° | 180.0° |
| H141 | C14 | C15 | H151 | 39.9° | 60.0° |
| H142 | C14 | C15 | H152 | 82.1° | 60.0° |
| H142 | C14 | C15 | H151 | 158.5° | 180.0° |
| H152 | C15 | C16 | H161 | 167.0° | NaN° |
| H152 | C15 | C16 | H162 | 48.4° | 60.1° |
| H151 | C15 | C16 | H161 | 73.6° | 60.1° |
| H151 | C15 | C16 | H162 | 167.8° | 180.0° |
| H161 | C16 | C17 | H173 | 59.3° | 60.0° |
| H161 | C16 | C17 | H172 | 60.7° | 60.0° |
| H161 | C16 | C17 | H3 | 179.3° | 180.0° |
| H162 | C16 | C17 | H173 | 59.3° | 179.9° |
| H162 | C16 | C17 | H172 | 179.3° | 59.9° |
| H162 | C16 | C17 | H3 | 60.7° | 60.0° |
| H173 | C17 | H172 | H3 | 120.0° | 120.0° |
| H213 | C21 | H212 | H4 | 120.0° | 120.0° |
