W3O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | C02 | sing | 1.53Å | 1.56Å | |
| C06 | SI05 | sing | 1.86Å | 1.94Å | |
| C02 | SI05 | sing | 1.86Å | 1.94Å | |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| N18 | C17 | sing | 1.35Å | 1.46Å | |
| SI05 | C07 | sing | 1.86Å | 1.91Å | |
| SI05 | O08 | sing | 1.63Å | 1.70Å | |
| C17 | O19 | doub | 1.22Å | 1.18Å | |
| C17 | C16 | sing | 1.48Å | 1.57Å | |
| C15 | C16 | doub | 1.40Å | 1.41Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| O08 | C09 | sing | 1.43Å | 1.42Å | |
| C20 | N12 | doub | 1.32Å | 1.34Å | Aromatic |
| C13 | N12 | sing | 1.32Å | 1.34Å | Aromatic |
| C09 | C10 | sing | 1.53Å | 1.56Å | |
| N12 | C11 | sing | 1.47Å | 1.47Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C04 | H043 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H063 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H073 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| N18 | H182 | sing | 0.97Å | 1.00Å | |
| N18 | H181 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | C02 | SI05 | 109.0° | 109.5° |
| C04 | C02 | C01 | 109.4° | 109.5° |
| C04 | C02 | C03 | 109.6° | 109.5° |
| C02 | C04 | H043 | 109.5° | 109.5° |
| C02 | C04 | H042 | 109.5° | 109.5° |
| C02 | C04 | H041 | 109.5° | 109.5° |
| C06 | SI05 | C02 | 109.6° | 109.5° |
| C06 | SI05 | C07 | 109.9° | 109.5° |
| C06 | SI05 | O08 | 109.6° | 109.4° |
| SI05 | C06 | H061 | 109.5° | 109.5° |
| SI05 | C06 | H062 | 109.5° | 109.5° |
| SI05 | C06 | H063 | 109.5° | 109.5° |
| SI05 | C02 | C01 | 109.8° | 109.5° |
| SI05 | C02 | C03 | 109.1° | 109.4° |
| C02 | SI05 | C07 | 108.6° | 109.5° |
| C02 | SI05 | O08 | 109.8° | 109.5° |
| C01 | C02 | C03 | 109.9° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C02 | C01 | H013 | 109.5° | 109.4° |
| C02 | C03 | H031 | 109.5° | 109.5° |
| C02 | C03 | H032 | 109.5° | 109.5° |
| C02 | C03 | H033 | 109.5° | 109.5° |
| N18 | C17 | O19 | 120.2° | 120.0° |
| N18 | C17 | C16 | 120.3° | 120.0° |
| C17 | N18 | H182 | 120.0° | 120.0° |
| C17 | N18 | H181 | 120.0° | 120.0° |
| C07 | SI05 | O08 | 109.4° | 109.5° |
| SI05 | C07 | H071 | 109.5° | 109.5° |
| SI05 | C07 | H072 | 109.4° | 109.5° |
| SI05 | C07 | H073 | 109.5° | 109.5° |
| SI05 | O08 | C09 | 124.3° | 114.0° |
| O19 | C17 | C16 | 119.5° | 120.0° |
| C17 | C16 | C15 | 120.5° | 120.6° |
| C17 | C16 | C20 | 119.7° | 120.6° |
| C16 | C15 | C14 | 117.7° | 118.3° |
| C15 | C16 | C20 | 119.8° | 118.8° |
| C16 | C15 | H151 | 121.1° | 120.9° |
| C15 | C14 | C13 | 119.8° | 119.3° |
| C15 | C14 | H141 | 120.1° | 120.4° |
| C14 | C15 | H151 | 121.1° | 120.8° |
| C16 | C20 | N12 | 120.5° | 120.6° |
| C16 | C20 | H201 | 119.7° | 119.7° |
| C14 | C13 | N12 | 120.4° | 121.1° |
| C14 | C13 | H131 | 119.8° | 119.4° |
| C13 | C14 | H141 | 120.1° | 120.4° |
| O08 | C09 | C10 | 108.3° | 109.5° |
| O08 | C09 | H092 | 109.8° | 109.5° |
| O08 | C09 | H091 | 109.8° | 109.5° |
| C20 | N12 | C13 | 121.7° | 121.9° |
| C20 | N12 | C11 | 118.2° | 119.0° |
| N12 | C20 | H201 | 119.8° | 119.8° |
| C13 | N12 | C11 | 120.1° | 119.1° |
| N12 | C13 | H131 | 119.8° | 119.5° |
| C09 | C10 | C11 | 111.4° | 109.5° |
| C09 | C10 | H101 | 109.0° | 109.5° |
| C09 | C10 | H102 | 109.0° | 109.5° |
| C10 | C09 | H092 | 109.8° | 109.4° |
| C10 | C09 | H091 | 109.8° | 109.5° |
| N12 | C11 | C10 | 111.8° | 109.5° |
| N12 | C11 | H111 | 108.9° | 109.4° |
| N12 | C11 | H112 | 108.8° | 109.5° |
| C11 | C10 | H101 | 109.0° | 109.5° |
| C11 | C10 | H102 | 109.0° | 109.5° |
| C10 | C11 | H111 | 108.9° | 109.5° |
| C10 | C11 | H112 | 108.9° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.4° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.4° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H031 | C03 | H032 | 109.5° | 109.5° |
| H031 | C03 | H033 | 109.4° | 109.5° |
| H032 | C03 | H033 | 109.5° | 109.4° |
| H043 | C04 | H042 | 109.5° | 109.4° |
| H043 | C04 | H041 | 109.5° | 109.5° |
| H042 | C04 | H041 | 109.5° | 109.5° |
| H061 | C06 | H062 | 109.4° | 109.4° |
| H061 | C06 | H063 | 109.5° | 109.5° |
| H062 | C06 | H063 | 109.5° | 109.5° |
| H071 | C07 | H072 | 109.5° | 109.4° |
| H071 | C07 | H073 | 109.5° | 109.5° |
| H072 | C07 | H073 | 109.5° | 109.4° |
| H092 | C09 | H091 | 109.5° | 109.5° |
| H182 | N18 | H181 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | C02 | SI05 | C06 | 33.0° | 180.0° |
| C04 | C02 | SI05 | C01 | 119.8° | 120.0° |
| C04 | C02 | SI05 | C03 | 119.7° | 120.0° |
| C04 | C02 | C01 | C03 | 120.4° | 120.0° |
| C04 | C02 | SI05 | C07 | 87.0° | 60.0° |
| C04 | C02 | SI05 | O08 | 153.4° | 60.0° |
| C04 | C02 | C01 | H012 | 180.0° | 60.0° |
| C04 | C02 | C01 | H011 | 60.0° | 60.0° |
| C04 | C02 | C01 | H013 | 60.0° | 180.0° |
| C04 | C02 | C03 | H031 | 180.0° | 180.0° |
| C04 | C02 | C03 | H032 | 60.0° | 60.0° |
| C04 | C02 | C03 | H033 | 60.0° | 60.0° |
| C02 | C04 | H043 | H042 | 120.0° | 120.0° |
| C02 | C04 | H043 | H041 | 120.0° | 120.0° |
| C02 | C04 | H042 | H041 | 120.0° | 120.0° |
| C06 | SI05 | C02 | C07 | 120.0° | 120.0° |
| C06 | SI05 | C02 | O08 | 120.4° | 120.0° |
| C06 | SI05 | C02 | C01 | 86.8° | 60.0° |
| C06 | SI05 | C02 | C03 | 152.7° | 60.0° |
| C06 | SI05 | C07 | O08 | 120.3° | 120.0° |
| C06 | SI05 | O08 | C09 | 174.3° | 60.0° |
| SI05 | C06 | H061 | H062 | 120.0° | 120.0° |
| SI05 | C06 | H061 | H063 | 120.0° | 120.1° |
| SI05 | C06 | H062 | H063 | 120.0° | 120.0° |
| C06 | SI05 | C07 | H071 | 180.0° | 180.0° |
| C06 | SI05 | C07 | H072 | 60.0° | 60.0° |
| C06 | SI05 | C07 | H073 | 60.0° | 60.0° |
| SI05 | C02 | C01 | C03 | 120.0° | 120.0° |
| C02 | SI05 | C07 | O08 | 119.8° | 120.0° |
| C02 | SI05 | O08 | C09 | 53.9° | 180.0° |
| SI05 | C02 | C01 | H012 | 60.4° | 60.0° |
| SI05 | C02 | C01 | H011 | 59.6° | 180.0° |
| SI05 | C02 | C01 | H013 | 179.6° | 60.1° |
| SI05 | C02 | C03 | H031 | 60.6° | 60.0° |
| SI05 | C02 | C03 | H032 | 179.3° | 180.0° |
| SI05 | C02 | C03 | H033 | 59.3° | 60.0° |
| SI05 | C02 | C04 | H043 | 180.0° | 60.0° |
| SI05 | C02 | C04 | H042 | 60.0° | 180.0° |
| SI05 | C02 | C04 | H041 | 60.0° | 60.0° |
| C02 | SI05 | C06 | H061 | 180.0° | 60.1° |
| C02 | SI05 | C06 | H062 | 60.0° | 180.0° |
| C02 | SI05 | C06 | H063 | 60.0° | 60.0° |
| C02 | SI05 | C07 | H071 | 60.2° | 60.0° |
| C02 | SI05 | C07 | H072 | 59.8° | 180.0° |
| C02 | SI05 | C07 | H073 | 179.8° | 60.0° |
| C01 | C02 | SI05 | C07 | 153.1° | 180.0° |
| C01 | C02 | SI05 | O08 | 33.6° | 60.0° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 119.9° |
| C01 | C02 | C03 | H031 | 59.7° | 60.0° |
| C01 | C02 | C03 | H032 | 60.3° | 60.0° |
| C01 | C02 | C03 | H033 | 179.7° | 180.0° |
| C01 | C02 | C04 | H043 | 59.9° | 180.0° |
| C01 | C02 | C04 | H042 | 60.1° | 60.0° |
| C01 | C02 | C04 | H041 | 179.9° | 60.0° |
| C03 | C02 | SI05 | C07 | 32.7° | 60.0° |
| C03 | C02 | SI05 | O08 | 86.9° | 180.0° |
| C03 | C02 | C01 | H012 | 59.6° | 180.0° |
| C03 | C02 | C01 | H011 | 179.6° | 60.0° |
| C03 | C02 | C01 | H013 | 60.4° | 59.9° |
| C02 | C03 | H031 | H032 | 120.0° | 120.0° |
| C02 | C03 | H031 | H033 | 120.0° | 120.0° |
| C02 | C03 | H032 | H033 | 120.0° | 120.0° |
| C03 | C02 | C04 | H043 | 60.7° | 60.0° |
| C03 | C02 | C04 | H042 | 179.3° | 60.0° |
| C03 | C02 | C04 | H041 | 59.4° | 180.0° |
| N18 | C17 | O19 | C16 | 179.9° | 180.0° |
| N18 | C17 | C16 | C15 | 27.1° | 0.0° |
| N18 | C17 | C16 | C20 | 152.8° | 180.0° |
| C17 | N18 | H182 | H181 | 180.0° | 180.0° |
| C07 | SI05 | O08 | C09 | 65.2° | 60.0° |
| C07 | SI05 | C06 | H061 | 60.7° | 60.0° |
| C07 | SI05 | C06 | H062 | 59.2° | 60.0° |
| C07 | SI05 | C06 | H063 | 179.2° | 180.0° |
| SI05 | C07 | H071 | H072 | 120.0° | 120.0° |
| SI05 | C07 | H071 | H073 | 120.0° | 120.1° |
| SI05 | C07 | H072 | H073 | 120.0° | 120.0° |
| SI05 | O08 | C09 | C10 | 152.0° | 180.0° |
| O08 | SI05 | C06 | H061 | 59.5° | 180.0° |
| O08 | SI05 | C06 | H062 | 179.4° | 60.1° |
| O08 | SI05 | C06 | H063 | 60.5° | 60.0° |
| O08 | SI05 | C07 | H071 | 59.7° | 60.0° |
| O08 | SI05 | C07 | H072 | 179.7° | 60.0° |
| O08 | SI05 | C07 | H073 | 60.4° | 180.0° |
| SI05 | O08 | C09 | H092 | 88.2° | 60.0° |
| SI05 | O08 | C09 | H091 | 32.2° | 60.0° |
| O19 | C17 | C16 | C15 | 152.8° | 180.0° |
| O19 | C17 | C16 | C20 | 27.3° | 0.0° |
| O19 | C17 | N18 | H182 | 0.0° | 0.0° |
| O19 | C17 | N18 | H181 | 180.0° | 180.0° |
| C17 | C16 | C15 | C20 | 179.9° | 180.0° |
| C17 | C16 | C15 | C14 | 179.9° | 180.0° |
| C17 | C16 | C20 | N12 | 179.9° | 180.0° |
| C17 | C16 | C15 | H151 | 0.1° | 0.0° |
| C17 | C16 | C20 | H201 | 0.1° | 0.1° |
| C16 | C17 | N18 | H182 | 179.9° | 180.0° |
| C16 | C17 | N18 | H181 | 0.1° | 0.0° |
| C16 | C15 | C14 | H151 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.1° | 0.0° |
| C15 | C16 | C20 | N12 | 0.2° | 0.0° |
| C16 | C15 | C14 | H141 | 179.9° | 180.0° |
| C15 | C16 | C20 | H201 | 179.8° | 179.9° |
| C14 | C15 | C16 | C20 | 0.1° | 0.0° |
| C15 | C14 | C13 | H141 | 180.0° | 180.0° |
| C15 | C14 | C13 | N12 | 0.2° | 0.0° |
| C15 | C14 | C13 | H131 | 179.8° | 179.7° |
| C16 | C20 | N12 | H201 | 180.0° | 179.9° |
| C16 | C20 | N12 | C13 | 0.3° | 0.0° |
| C16 | C20 | N12 | C11 | 179.9° | 179.7° |
| C20 | C16 | C15 | H151 | 179.9° | 180.0° |
| C14 | C13 | N12 | C20 | 0.3° | 0.0° |
| C14 | C13 | N12 | H131 | 180.0° | 179.7° |
| C14 | C13 | N12 | C11 | 179.9° | 179.7° |
| C13 | C14 | C15 | H151 | 179.9° | 180.0° |
| O08 | C09 | C10 | H092 | 119.8° | 120.0° |
| O08 | C09 | C10 | H091 | 119.8° | 120.0° |
| O08 | C09 | C10 | C11 | 80.4° | 180.0° |
| O08 | C09 | C10 | H101 | 39.9° | 60.0° |
| O08 | C09 | C10 | H102 | 159.3° | 60.0° |
| O08 | C09 | H092 | H091 | 120.6° | 120.0° |
| C20 | N12 | C13 | C11 | 179.5° | 179.7° |
| C20 | N12 | C11 | C10 | 128.8° | 90.3° |
| C20 | N12 | C11 | H111 | 8.5° | 149.7° |
| C20 | N12 | C11 | H112 | 110.8° | 29.7° |
| C20 | N12 | C13 | H131 | 179.7° | 179.7° |
| C13 | N12 | C11 | C10 | 51.6° | 90.0° |
| C13 | N12 | C11 | H111 | 172.0° | 30.0° |
| C13 | N12 | C11 | H112 | 68.7° | 150.0° |
| N12 | C13 | C14 | H141 | 179.8° | 180.0° |
| C13 | N12 | C20 | H201 | 179.7° | 180.0° |
| C09 | C10 | C11 | N12 | 70.6° | 180.0° |
| C09 | C10 | C11 | H101 | 120.3° | 120.0° |
| C09 | C10 | C11 | H102 | 120.3° | 120.0° |
| C09 | C10 | H101 | H102 | 119.2° | 120.0° |
| C09 | C10 | C11 | H111 | 49.7° | 60.0° |
| C09 | C10 | C11 | H112 | 169.1° | 60.0° |
| C10 | C09 | H092 | H091 | 120.5° | 120.0° |
| N12 | C11 | C10 | H111 | 120.3° | 119.9° |
| N12 | C11 | C10 | H112 | 120.3° | 120.0° |
| N12 | C11 | C10 | H101 | 49.7° | 59.9° |
| N12 | C11 | C10 | H102 | 169.1° | 60.0° |
| N12 | C11 | H111 | H112 | 118.9° | 120.0° |
| C11 | N12 | C13 | H131 | 0.1° | 0.0° |
| C11 | N12 | C20 | H201 | 0.1° | 0.4° |
| C11 | C10 | H101 | H102 | 119.1° | 120.0° |
| C10 | C11 | H111 | H112 | 119.0° | 120.0° |
| C11 | C10 | C09 | H092 | 159.8° | 60.0° |
| C11 | C10 | C09 | H091 | 39.4° | 60.0° |
| H101 | C10 | C11 | H111 | 170.0° | 60.0° |
| H101 | C10 | C11 | H112 | 70.7° | 179.9° |
| H101 | C10 | C09 | H092 | 79.9° | 179.9° |
| H101 | C10 | C09 | H091 | 159.7° | 60.0° |
| H102 | C10 | C11 | H111 | 70.6° | 180.0° |
| H102 | C10 | C11 | H112 | 48.8° | 60.0° |
| H102 | C10 | C09 | H092 | 39.5° | 60.0° |
| H102 | C10 | C09 | H091 | 80.8° | 180.0° |
| H131 | C13 | C14 | H141 | 0.2° | 0.3° |
| H141 | C14 | C15 | H151 | 0.1° | 0.0° |
| H012 | C01 | H011 | H013 | 120.0° | 120.1° |
| H031 | C03 | H032 | H033 | 120.0° | 120.0° |
| H043 | C04 | H042 | H041 | 120.0° | 120.0° |
| H061 | C06 | H062 | H063 | 120.0° | 120.0° |
| H071 | C07 | H072 | H073 | 120.0° | 120.0° |
