VB4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O28 | C26 | doub | 1.21Å | 1.26Å | |
| C26 | O27 | sing | 1.34Å | 1.25Å | |
| C26 | C15 | sing | 1.51Å | 1.51Å | |
| O30 | C29 | sing | 1.36Å | 1.40Å | |
| C18 | N19 | sing | 1.37Å | 1.34Å | Aromatic |
| C18 | C17 | doub | 1.34Å | 1.39Å | Aromatic |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.51Å | 1.54Å | |
| N19 | C20 | sing | 1.38Å | 1.37Å | Aromatic |
| N14 | C15 | sing | 1.46Å | 1.45Å | |
| N14 | C13 | doub | 1.29Å | 1.26Å | |
| C17 | C21 | sing | 1.46Å | 1.41Å | Aromatic |
| C29 | C02 | doub | 1.39Å | 1.39Å | Aromatic |
| C29 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C02 | N03 | sing | 1.32Å | 1.32Å | Aromatic |
| C13 | C12 | sing | 1.48Å | 1.53Å | |
| C12 | C05 | doub | 1.40Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.41Å | 1.37Å | Aromatic |
| C20 | C25 | sing | 1.39Å | 1.42Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.42Å | Aromatic |
| N03 | C04 | doub | 1.32Å | 1.33Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.51Å | 1.52Å | |
| C22 | C23 | doub | 1.37Å | 1.40Å | Aromatic |
| O07 | C06 | sing | 1.43Å | 1.40Å | |
| O07 | P08 | sing | 1.61Å | 1.63Å | |
| O11 | P08 | doub | 1.48Å | 1.50Å | |
| O10 | P08 | sing | 1.61Å | 1.52Å | |
| C24 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| P08 | O09 | sing | 1.61Å | 1.53Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å | |
| O09 | H1 | sing | 0.97Å | 0.95Å | |
| O10 | H2 | sing | 0.97Å | 0.95Å | |
| O27 | H3 | sing | 0.97Å | 0.95Å | |
| O30 | H301 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O28 | C26 | O27 | 120.6° | 120.0° |
| O28 | C26 | C15 | 119.3° | 120.0° |
| O27 | C26 | C15 | 120.1° | 120.0° |
| C26 | O27 | H3 | 109.5° | 116.9° |
| C26 | C15 | C16 | 109.9° | 109.5° |
| C26 | C15 | N14 | 109.3° | 109.5° |
| C26 | C15 | H151 | 109.8° | 109.5° |
| O30 | C29 | C02 | 120.8° | 120.6° |
| O30 | C29 | C12 | 121.0° | 120.6° |
| C29 | O30 | H301 | 109.5° | 114.0° |
| N19 | C18 | C17 | 108.2° | 109.9° |
| C18 | N19 | C20 | 109.2° | 109.9° |
| N19 | C18 | H181 | 125.9° | 125.0° |
| C18 | N19 | H191 | 125.4° | 125.1° |
| C18 | C17 | C16 | 126.0° | 126.4° |
| C18 | C17 | C21 | 107.6° | 107.0° |
| C17 | C18 | H181 | 125.9° | 125.1° |
| C01 | C02 | C29 | 118.3° | 119.6° |
| C01 | C02 | N03 | 119.5° | 119.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.4° | 109.4° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C15 | C16 | C17 | 116.2° | 109.5° |
| C16 | C15 | N14 | 107.5° | 109.4° |
| C16 | C15 | H151 | 109.5° | 109.5° |
| C15 | C16 | H162 | 107.8° | 109.5° |
| C15 | C16 | H161 | 107.8° | 109.4° |
| C16 | C17 | C21 | 126.4° | 126.6° |
| C17 | C16 | H162 | 107.8° | 109.5° |
| C17 | C16 | H161 | 107.8° | 109.4° |
| N19 | C20 | C21 | 109.1° | 107.2° |
| N19 | C20 | C25 | 130.6° | 133.5° |
| C20 | N19 | H191 | 125.4° | 125.0° |
| C15 | N14 | C13 | 116.9° | 120.0° |
| N14 | C15 | H151 | 110.8° | 109.4° |
| N14 | C13 | C12 | 122.3° | 120.0° |
| N14 | C13 | H131 | 118.8° | 119.9° |
| C17 | C21 | C20 | 105.9° | 106.1° |
| C17 | C21 | C22 | 133.9° | 134.0° |
| C02 | C29 | C12 | 118.3° | 118.9° |
| C29 | C02 | N03 | 122.2° | 120.8° |
| C29 | C12 | C13 | 121.9° | 121.0° |
| C29 | C12 | C05 | 118.1° | 118.0° |
| C02 | N03 | C04 | 121.1° | 122.1° |
| C13 | C12 | C05 | 120.0° | 121.0° |
| C12 | C13 | H131 | 118.8° | 120.0° |
| C12 | C05 | C04 | 120.3° | 119.1° |
| C12 | C05 | C06 | 119.3° | 120.4° |
| C21 | C20 | C25 | 120.2° | 119.3° |
| C20 | C21 | C22 | 120.2° | 119.9° |
| C20 | C25 | C24 | 119.4° | 119.8° |
| C20 | C25 | H251 | 120.3° | 120.1° |
| C21 | C22 | C23 | 119.3° | 119.8° |
| C21 | C22 | H221 | 120.3° | 120.1° |
| N03 | C04 | C05 | 120.0° | 121.1° |
| N03 | C04 | H041 | 120.0° | 119.5° |
| C25 | C24 | C23 | 120.7° | 120.7° |
| C25 | C24 | H241 | 119.7° | 119.7° |
| C24 | C25 | H251 | 120.3° | 120.1° |
| C04 | C05 | C06 | 120.3° | 120.5° |
| C05 | C04 | H041 | 120.0° | 119.5° |
| C05 | C06 | O07 | 108.8° | 109.5° |
| C05 | C06 | H061 | 109.6° | 109.5° |
| C05 | C06 | H062 | 109.6° | 109.5° |
| C22 | C23 | C24 | 120.2° | 120.5° |
| C23 | C22 | H221 | 120.3° | 120.1° |
| C22 | C23 | H231 | 119.9° | 119.8° |
| C06 | O07 | P08 | 118.8° | 123.0° |
| O07 | C06 | H061 | 109.7° | 109.5° |
| O07 | C06 | H062 | 109.7° | 109.4° |
| O07 | P08 | O11 | 108.9° | 109.4° |
| O07 | P08 | O10 | 112.0° | 109.5° |
| O07 | P08 | O09 | 107.9° | 109.5° |
| O11 | P08 | O10 | 109.9° | 109.4° |
| O11 | P08 | O09 | 109.3° | 109.5° |
| O10 | P08 | O09 | 108.7° | 109.5° |
| P08 | O10 | H2 | 109.5° | 114.0° |
| C23 | C24 | H241 | 119.7° | 119.7° |
| C24 | C23 | H231 | 119.9° | 119.7° |
| P08 | O09 | H1 | 109.5° | 114.0° |
| H012 | C01 | H013 | 109.5° | 109.4° |
| H012 | C01 | H011 | 109.5° | 109.4° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H061 | C06 | H062 | 109.5° | 109.5° |
| H162 | C16 | H161 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O28 | C26 | O27 | C15 | 179.6° | 180.0° |
| O28 | C26 | C15 | C16 | 46.2° | 120.0° |
| O28 | C26 | C15 | N14 | 71.5° | 0.0° |
| O28 | C26 | C15 | H151 | 166.8° | 120.0° |
| O28 | C26 | O27 | H3 | 0.0° | 0.0° |
| O27 | C26 | C15 | C16 | 133.4° | 60.0° |
| O27 | C26 | C15 | N14 | 108.9° | 180.0° |
| O27 | C26 | C15 | H151 | 12.8° | 60.0° |
| C26 | C15 | C16 | N14 | 118.8° | 120.0° |
| C26 | C15 | C16 | H151 | 120.8° | 120.1° |
| C26 | C15 | C16 | C17 | 75.6° | 175.0° |
| C26 | C15 | N14 | H151 | 121.1° | 120.0° |
| C26 | C15 | N14 | C13 | 166.0° | 120.0° |
| C26 | C15 | C16 | H162 | 45.3° | 64.9° |
| C26 | C15 | C16 | H161 | 163.4° | 55.0° |
| C15 | C26 | O27 | H3 | 179.6° | 180.0° |
| O30 | C29 | C02 | C01 | 0.2° | 0.1° |
| O30 | C29 | C02 | C12 | 179.7° | 179.9° |
| O30 | C29 | C02 | N03 | 179.7° | 179.9° |
| O30 | C29 | C12 | C13 | 0.8° | 0.0° |
| O30 | C29 | C12 | C05 | 179.5° | 179.9° |
| N19 | C18 | C17 | H181 | 180.0° | 180.0° |
| N19 | C18 | C17 | C16 | 179.1° | 180.0° |
| C18 | N19 | C20 | H191 | 180.0° | 179.9° |
| N19 | C18 | C17 | C21 | 0.4° | 0.2° |
| C18 | N19 | C20 | C21 | 0.2° | 0.0° |
| C18 | N19 | C20 | C25 | 179.9° | 179.9° |
| C18 | C17 | C16 | C15 | 104.7° | 94.7° |
| C18 | C17 | C16 | C21 | 178.5° | 179.7° |
| C17 | C18 | N19 | C20 | 0.1° | 0.1° |
| C18 | C17 | C21 | C20 | 0.5° | 0.2° |
| C18 | C17 | C21 | C22 | 179.9° | 179.8° |
| C18 | C17 | C16 | H162 | 16.3° | 25.4° |
| C18 | C17 | C16 | H161 | 134.3° | 145.3° |
| C17 | C18 | N19 | H191 | 179.9° | 180.0° |
| C01 | C02 | C29 | N03 | 179.5° | 180.0° |
| C01 | C02 | C29 | C12 | 179.9° | 180.0° |
| C01 | C02 | N03 | C04 | 179.7° | 180.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H011 | 120.0° | 120.1° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C15 | C16 | C17 | H162 | 121.0° | 120.1° |
| C15 | C16 | C17 | H161 | 121.0° | 120.0° |
| C16 | C15 | N14 | H151 | 119.6° | 120.0° |
| C16 | C15 | N14 | C13 | 74.8° | 120.0° |
| C15 | C16 | C17 | C21 | 76.8° | 85.0° |
| C15 | C16 | H162 | H161 | 116.9° | 119.9° |
| C17 | C16 | C15 | N14 | 165.5° | 65.0° |
| C16 | C17 | C21 | C20 | 179.2° | 180.0° |
| C16 | C17 | C21 | C22 | 1.1° | 0.0° |
| C17 | C16 | C15 | H151 | 45.1° | 54.9° |
| C17 | C16 | H162 | H161 | 117.0° | 120.0° |
| C16 | C17 | C18 | H181 | 0.9° | 0.1° |
| N19 | C20 | C21 | C17 | 0.4° | 0.2° |
| N19 | C20 | C21 | C25 | 179.9° | 179.9° |
| N19 | C20 | C21 | C22 | 179.9° | 179.8° |
| N19 | C20 | C25 | C24 | 179.9° | 180.0° |
| C20 | N19 | C18 | H181 | 179.9° | 179.9° |
| N19 | C20 | C25 | H251 | 0.1° | 0.1° |
| C15 | N14 | C13 | C12 | 178.8° | 179.9° |
| C15 | N14 | C13 | H131 | 1.2° | 0.1° |
| N14 | C15 | C16 | H162 | 73.5° | 55.1° |
| N14 | C15 | C16 | H161 | 44.5° | 175.0° |
| N14 | C13 | C12 | C29 | 1.1° | 0.0° |
| N14 | C13 | C12 | H131 | 180.0° | 180.0° |
| N14 | C13 | C12 | C05 | 177.5° | 179.9° |
| C13 | N14 | C15 | H151 | 44.9° | 0.0° |
| C17 | C21 | C20 | C22 | 179.7° | 180.0° |
| C17 | C21 | C20 | C25 | 179.7° | 179.9° |
| C17 | C21 | C22 | C23 | 179.4° | 179.9° |
| C17 | C21 | C22 | H221 | 0.6° | 0.0° |
| C21 | C17 | C16 | H162 | 162.3° | 154.9° |
| C21 | C17 | C16 | H161 | 44.2° | 35.0° |
| C21 | C17 | C18 | H181 | 179.7° | 179.8° |
| C02 | C29 | C12 | C13 | 179.4° | 179.9° |
| C02 | C29 | C12 | C05 | 0.8° | 0.0° |
| C29 | C02 | N03 | C04 | 0.2° | 0.0° |
| C29 | C02 | C01 | H012 | 179.5° | 90.0° |
| C29 | C02 | C01 | H013 | 59.5° | 30.0° |
| C29 | C02 | C01 | H011 | 60.5° | 150.0° |
| C02 | C29 | O30 | H301 | 180.0° | 90.0° |
| C12 | C29 | C02 | N03 | 0.6° | 0.0° |
| C29 | C12 | C13 | C05 | 178.6° | 179.9° |
| C29 | C12 | C05 | C04 | 0.7° | 0.0° |
| C29 | C12 | C05 | C06 | 179.9° | 179.9° |
| C29 | C12 | C13 | H131 | 178.9° | 180.0° |
| C12 | C29 | O30 | H301 | 0.3° | 89.9° |
| C02 | N03 | C04 | C05 | 0.0° | 0.0° |
| N03 | C02 | C01 | H012 | 0.0° | 90.0° |
| N03 | C02 | C01 | H013 | 120.0° | 150.0° |
| N03 | C02 | C01 | H011 | 120.0° | 30.0° |
| C02 | N03 | C04 | H041 | 180.0° | 180.0° |
| C13 | C12 | C05 | C04 | 179.3° | 180.0° |
| C13 | C12 | C05 | C06 | 1.2° | 0.1° |
| C12 | C05 | C04 | N03 | 0.3° | 0.1° |
| C12 | C05 | C04 | C06 | 179.4° | 179.9° |
| C12 | C05 | C06 | O07 | 61.8° | 180.0° |
| C05 | C12 | C13 | H131 | 2.5° | 0.1° |
| C12 | C05 | C04 | H041 | 179.7° | 180.0° |
| C12 | C05 | C06 | H061 | 178.3° | 60.0° |
| C12 | C05 | C06 | H062 | 58.1° | 60.1° |
| C21 | C20 | C25 | C24 | 0.1° | 0.1° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C20 | C21 | C22 | H221 | 179.8° | 179.9° |
| C21 | C20 | C25 | H251 | 179.9° | 180.0° |
| C21 | C20 | N19 | H191 | 179.8° | 179.8° |
| C25 | C20 | C21 | C22 | 0.0° | 0.1° |
| C20 | C25 | C24 | H251 | 180.0° | 180.0° |
| C20 | C25 | C24 | C23 | 0.0° | 0.3° |
| C20 | C25 | C24 | H241 | 180.0° | 180.0° |
| C25 | C20 | N19 | H191 | 0.1° | 0.1° |
| C21 | C22 | C23 | H221 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.2° | 0.3° |
| C21 | C22 | C23 | H231 | 179.8° | 180.0° |
| N03 | C04 | C05 | H041 | 180.0° | 179.9° |
| N03 | C04 | C05 | C06 | 179.7° | 180.0° |
| C25 | C24 | C23 | C22 | 0.2° | 0.5° |
| C25 | C24 | C23 | H241 | 180.0° | 179.7° |
| C25 | C24 | C23 | H231 | 179.8° | 179.8° |
| C04 | C05 | C06 | O07 | 118.8° | 0.1° |
| C04 | C05 | C06 | H061 | 1.1° | 119.9° |
| C04 | C05 | C06 | H062 | 121.3° | 120.0° |
| C05 | C06 | O07 | H061 | 119.9° | 120.1° |
| C05 | C06 | O07 | H062 | 119.9° | 120.0° |
| C05 | C06 | O07 | P08 | 122.7° | 180.0° |
| C06 | C05 | C04 | H041 | 0.3° | 0.1° |
| C05 | C06 | H061 | H062 | 120.3° | 120.0° |
| C22 | C23 | C24 | H231 | 180.0° | 179.7° |
| C22 | C23 | C24 | H241 | 179.8° | 179.8° |
| C06 | O07 | P08 | O11 | 171.2° | 55.0° |
| C06 | O07 | P08 | O10 | 67.0° | 64.9° |
| C06 | O07 | P08 | O09 | 52.6° | 175.0° |
| O07 | C06 | H061 | H062 | 120.3° | 119.9° |
| O07 | P08 | O11 | O10 | 123.1° | 120.0° |
| O07 | P08 | O11 | O09 | 117.7° | 120.0° |
| O07 | P08 | O10 | O09 | 119.1° | 120.0° |
| P08 | O07 | C06 | H061 | 2.9° | 59.9° |
| P08 | O07 | C06 | H062 | 117.4° | 60.0° |
| O07 | P08 | O09 | H1 | 118.4° | 180.0° |
| O07 | P08 | O10 | H2 | 121.3° | 60.1° |
| O11 | P08 | O10 | O09 | 119.6° | 120.0° |
| O11 | P08 | O09 | H1 | 0.0° | 60.0° |
| O11 | P08 | O10 | H2 | 0.0° | 180.0° |
| O10 | P08 | O09 | H1 | 120.0° | 60.0° |
| C24 | C23 | C22 | H221 | 179.8° | 179.8° |
| C23 | C24 | C25 | H251 | 180.0° | 179.7° |
| O09 | P08 | O10 | H2 | 119.6° | 60.0° |
| H151 | C15 | C16 | H162 | 166.1° | 175.0° |
| H151 | C15 | C16 | H161 | 75.9° | 65.1° |
| H221 | C22 | C23 | H231 | 0.2° | 0.1° |
| H241 | C24 | C23 | H231 | 0.2° | 0.1° |
| H241 | C24 | C25 | H251 | 0.0° | 0.0° |
| H012 | C01 | H013 | H011 | 120.0° | 119.9° |
| H181 | C18 | N19 | H191 | 0.1° | 0.0° |
