VLV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O27 | C26 | doub | 1.21Å | 1.19Å | |
| C26 | C28 | sing | 1.51Å | 1.53Å | |
| C26 | C23 | sing | 1.47Å | 1.53Å | |
| C23 | C24 | doub | 1.40Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.40Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.36Å | 1.39Å | Aromatic |
| C22 | C21 | doub | 1.36Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C25 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
| C19 | C16 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | sing | 1.40Å | 1.38Å | Aromatic |
| C20 | C03 | sing | 1.47Å | 1.52Å | |
| N15 | C16 | sing | 1.47Å | 1.46Å | |
| N15 | C13 | sing | 1.35Å | 1.46Å | |
| C16 | C18 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.51Å | 1.54Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C13 | O14 | doub | 1.21Å | 1.19Å | |
| S04 | C03 | sing | 1.76Å | 1.59Å | Aromatic |
| S04 | C05 | sing | 1.71Å | 1.62Å | Aromatic |
| O09 | C08 | doub | 1.22Å | 1.19Å | |
| C03 | C02 | doub | 1.35Å | 1.42Å | Aromatic |
| C11 | N10 | sing | 1.47Å | 1.46Å | |
| C08 | N10 | sing | 1.35Å | 1.46Å | |
| C08 | N07 | sing | 1.35Å | 1.47Å | |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C02 | N06 | sing | 1.31Å | 1.47Å | Aromatic |
| C05 | N07 | sing | 1.39Å | 1.46Å | |
| C05 | N06 | doub | 1.30Å | 1.40Å | Aromatic |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| N07 | H071 | sing | 0.97Å | 1.00Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O27 | C26 | C28 | 119.0° | 120.0° |
| O27 | C26 | C23 | 120.8° | 120.0° |
| C28 | C26 | C23 | 120.2° | 120.0° |
| C26 | C28 | H283 | 109.5° | 109.4° |
| C26 | C28 | H282 | 109.5° | 109.5° |
| C26 | C28 | H281 | 109.5° | 109.4° |
| C26 | C23 | C24 | 121.0° | 120.0° |
| C26 | C23 | C22 | 119.8° | 120.1° |
| C24 | C23 | C22 | 119.3° | 119.9° |
| C23 | C24 | C25 | 120.4° | 120.0° |
| C23 | C24 | H241 | 119.8° | 119.9° |
| C23 | C22 | C21 | 120.3° | 120.0° |
| C23 | C22 | H221 | 119.9° | 120.0° |
| C24 | C25 | C20 | 120.0° | 120.0° |
| C25 | C24 | H241 | 119.8° | 120.0° |
| C24 | C25 | H251 | 120.0° | 120.0° |
| C22 | C21 | C20 | 120.4° | 120.0° |
| C22 | C21 | H211 | 119.8° | 120.0° |
| C21 | C22 | H221 | 119.9° | 120.0° |
| C17 | C16 | C19 | 110.1° | 109.5° |
| C17 | C16 | N15 | 109.9° | 109.4° |
| C17 | C16 | C18 | 108.9° | 109.5° |
| C16 | C17 | H171 | 109.5° | 109.5° |
| C16 | C17 | H173 | 109.5° | 109.5° |
| C16 | C17 | H172 | 109.4° | 109.4° |
| C25 | C20 | C21 | 119.6° | 120.0° |
| C25 | C20 | C03 | 121.3° | 120.0° |
| C20 | C25 | H251 | 120.0° | 120.0° |
| C19 | C16 | N15 | 109.7° | 109.4° |
| C19 | C16 | C18 | 108.9° | 109.5° |
| C16 | C19 | H193 | 109.5° | 109.5° |
| C16 | C19 | H191 | 109.5° | 109.5° |
| C16 | C19 | H192 | 109.5° | 109.4° |
| C21 | C20 | C03 | 119.1° | 120.0° |
| C20 | C21 | H211 | 119.8° | 120.0° |
| C20 | C03 | S04 | 125.5° | 126.1° |
| C20 | C03 | C02 | 124.8° | 126.0° |
| C16 | N15 | C13 | 122.2° | 120.0° |
| N15 | C16 | C18 | 109.4° | 109.5° |
| C16 | N15 | H151 | 118.9° | 120.0° |
| N15 | C13 | C12 | 119.0° | 120.0° |
| N15 | C13 | O14 | 120.7° | 120.0° |
| C13 | N15 | H151 | 118.9° | 120.0° |
| C16 | C18 | H182 | 109.5° | 109.5° |
| C16 | C18 | H181 | 109.4° | 109.5° |
| C16 | C18 | H183 | 109.5° | 109.4° |
| C13 | C12 | C11 | 122.0° | 109.5° |
| C12 | C13 | O14 | 120.3° | 120.0° |
| C13 | C12 | H121 | 106.3° | 109.5° |
| C13 | C12 | H122 | 106.3° | 109.4° |
| C12 | C11 | N10 | 112.6° | 109.5° |
| C12 | C11 | H112 | 108.7° | 109.5° |
| C12 | C11 | H111 | 108.7° | 109.5° |
| C11 | C12 | H121 | 106.3° | 109.4° |
| C11 | C12 | H122 | 106.3° | 109.5° |
| C03 | S04 | C05 | 100.1° | 90.3° |
| S04 | C03 | C02 | 109.6° | 107.9° |
| S04 | C05 | N07 | 126.5° | 124.8° |
| S04 | C05 | N06 | 109.0° | 110.3° |
| O09 | C08 | N10 | 120.2° | 120.0° |
| O09 | C08 | N07 | 121.4° | 120.0° |
| C03 | C02 | C01 | 126.0° | 122.9° |
| C03 | C02 | N06 | 110.1° | 114.3° |
| C11 | N10 | C08 | 121.1° | 120.0° |
| N10 | C11 | H112 | 108.7° | 109.4° |
| N10 | C11 | H111 | 108.7° | 109.4° |
| C11 | N10 | H101 | 119.5° | 120.0° |
| N10 | C08 | N07 | 118.5° | 120.0° |
| C08 | N10 | H101 | 119.4° | 120.0° |
| C08 | N07 | C05 | 122.8° | 120.0° |
| C08 | N07 | H071 | 118.6° | 120.0° |
| C01 | C02 | N06 | 123.9° | 122.9° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | N06 | C05 | 111.2° | 117.1° |
| N07 | C05 | N06 | 124.4° | 124.9° |
| C05 | N07 | H071 | 118.6° | 120.0° |
| H171 | C17 | H173 | 109.4° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.4° |
| H173 | C17 | H172 | 109.5° | 109.5° |
| H283 | C28 | H282 | 109.4° | 109.5° |
| H283 | C28 | H281 | 109.5° | 109.5° |
| H282 | C28 | H281 | 109.4° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.4° |
| H013 | C01 | H011 | 109.5° | 109.4° |
| H012 | C01 | H011 | 109.5° | 109.4° |
| H112 | C11 | H111 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H182 | C18 | H183 | 109.5° | 109.5° |
| H181 | C18 | H183 | 109.5° | 109.4° |
| H193 | C19 | H191 | 109.4° | 109.5° |
| H193 | C19 | H192 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O27 | C26 | C28 | C23 | 179.3° | 180.0° |
| O27 | C26 | C23 | C24 | 18.9° | 5.7° |
| O27 | C26 | C23 | C22 | 161.8° | 174.3° |
| O27 | C26 | C28 | H283 | 0.0° | 174.8° |
| O27 | C26 | C28 | H282 | 120.0° | 54.8° |
| O27 | C26 | C28 | H281 | 120.0° | 65.2° |
| C28 | C26 | C23 | C24 | 160.4° | 174.3° |
| C28 | C26 | C23 | C22 | 18.9° | 5.7° |
| C26 | C28 | H283 | H282 | 120.0° | 120.0° |
| C26 | C28 | H283 | H281 | 120.0° | 119.9° |
| C26 | C28 | H282 | H281 | 120.0° | 120.0° |
| C26 | C23 | C24 | C22 | 179.3° | 180.0° |
| C26 | C23 | C24 | C25 | 179.7° | 179.7° |
| C26 | C23 | C22 | C21 | 179.7° | 180.0° |
| C26 | C23 | C22 | H221 | 0.3° | 0.0° |
| C26 | C23 | C24 | H241 | 0.3° | 0.3° |
| C23 | C26 | C28 | H283 | 179.3° | 5.2° |
| C23 | C26 | C28 | H282 | 60.7° | 125.2° |
| C23 | C26 | C28 | H281 | 59.2° | 114.8° |
| C23 | C24 | C25 | H241 | 180.0° | 179.4° |
| C24 | C23 | C22 | C21 | 0.4° | 0.0° |
| C23 | C24 | C25 | C20 | 0.2° | 0.6° |
| C24 | C23 | C22 | H221 | 179.6° | 180.0° |
| C23 | C24 | C25 | H251 | 179.8° | 180.0° |
| C22 | C23 | C24 | C25 | 0.3° | 0.3° |
| C23 | C22 | C21 | H221 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 0.3° | 0.1° |
| C23 | C22 | C21 | H211 | 179.7° | 180.0° |
| C22 | C23 | C24 | H241 | 179.7° | 179.7° |
| C24 | C25 | C20 | H251 | 180.0° | 179.5° |
| C24 | C25 | C20 | C21 | 0.1° | 0.6° |
| C24 | C25 | C20 | C03 | 179.3° | 179.8° |
| C22 | C21 | C20 | C25 | 0.2° | 0.3° |
| C22 | C21 | C20 | H211 | 180.0° | 180.0° |
| C22 | C21 | C20 | C03 | 179.3° | 180.0° |
| C17 | C16 | C19 | N15 | 121.0° | 119.9° |
| C17 | C16 | C19 | C18 | 119.3° | 120.1° |
| C17 | C16 | N15 | C18 | 119.5° | 120.0° |
| C17 | C16 | N15 | C13 | 54.5° | 60.0° |
| C16 | C17 | H171 | H173 | 120.0° | 120.1° |
| C16 | C17 | H171 | H172 | 120.0° | 119.9° |
| C16 | C17 | H173 | H172 | 120.0° | 120.0° |
| C17 | C16 | C18 | H182 | 180.0° | 60.0° |
| C17 | C16 | C18 | H181 | 60.0° | 179.9° |
| C17 | C16 | C18 | H183 | 60.0° | 60.0° |
| C17 | C16 | C19 | H193 | 180.0° | 59.9° |
| C17 | C16 | C19 | H191 | 60.0° | 180.0° |
| C17 | C16 | C19 | H192 | 60.0° | 60.1° |
| C17 | C16 | N15 | H151 | 125.5° | 120.0° |
| C25 | C20 | C21 | C03 | 179.5° | 179.7° |
| C25 | C20 | C03 | S04 | 133.7° | 132.0° |
| C25 | C20 | C03 | C02 | 48.7° | 48.0° |
| C25 | C20 | C21 | H211 | 179.9° | 179.7° |
| C20 | C25 | C24 | H241 | 179.8° | 180.0° |
| C19 | C16 | N15 | C18 | 119.3° | 120.0° |
| C19 | C16 | N15 | C13 | 175.7° | 180.0° |
| C19 | C16 | C17 | H171 | 180.0° | 180.0° |
| C19 | C16 | C17 | H173 | 60.0° | 60.0° |
| C19 | C16 | C17 | H172 | 60.0° | 60.0° |
| C19 | C16 | C18 | H182 | 60.0° | 60.0° |
| C19 | C16 | C18 | H181 | 180.0° | 60.0° |
| C19 | C16 | C18 | H183 | 60.0° | 179.9° |
| C16 | C19 | H193 | H191 | 120.0° | 120.1° |
| C16 | C19 | H193 | H192 | 120.0° | 120.0° |
| C16 | C19 | H191 | H192 | 120.0° | 120.0° |
| C19 | C16 | N15 | H151 | 4.3° | 0.0° |
| C21 | C20 | C03 | S04 | 46.9° | 47.6° |
| C21 | C20 | C03 | C02 | 130.8° | 132.4° |
| C20 | C21 | C22 | H221 | 179.7° | 180.0° |
| C21 | C20 | C25 | H251 | 179.9° | 180.0° |
| C20 | C03 | S04 | C02 | 177.9° | 180.0° |
| C20 | C03 | S04 | C05 | 178.7° | 179.9° |
| C20 | C03 | C02 | C01 | 2.2° | 0.0° |
| C20 | C03 | C02 | N06 | 179.0° | 179.8° |
| C03 | C20 | C21 | H211 | 0.7° | 0.1° |
| C03 | C20 | C25 | H251 | 0.7° | 0.3° |
| C16 | N15 | C13 | H151 | 180.0° | 180.0° |
| C16 | N15 | C13 | C12 | 180.0° | 179.7° |
| C16 | N15 | C13 | O14 | 0.7° | 0.0° |
| N15 | C16 | C17 | H171 | 59.1° | 60.1° |
| N15 | C16 | C17 | H173 | 60.9° | 60.0° |
| N15 | C16 | C17 | H172 | 179.1° | 180.0° |
| N15 | C16 | C18 | H182 | 59.9° | 180.0° |
| N15 | C16 | C18 | H181 | 60.2° | 60.0° |
| N15 | C16 | C18 | H183 | 179.9° | 60.0° |
| N15 | C16 | C19 | H193 | 59.0° | 60.0° |
| N15 | C16 | C19 | H191 | 178.9° | 60.0° |
| N15 | C16 | C19 | H192 | 61.1° | 180.0° |
| C13 | N15 | C16 | C18 | 65.0° | 60.0° |
| N15 | C13 | C12 | O14 | 179.3° | 179.7° |
| N15 | C13 | C12 | C11 | 104.1° | 179.7° |
| N15 | C13 | C12 | H121 | 17.6° | 59.8° |
| N15 | C13 | C12 | H122 | 134.2° | 60.3° |
| C18 | C16 | C17 | H171 | 60.8° | 59.9° |
| C18 | C16 | C17 | H173 | 179.3° | 180.0° |
| C18 | C16 | C17 | H172 | 59.3° | 60.0° |
| C16 | C18 | H182 | H181 | 120.0° | 120.0° |
| C16 | C18 | H182 | H183 | 120.0° | 120.0° |
| C16 | C18 | H181 | H183 | 120.0° | 120.0° |
| C18 | C16 | C19 | H193 | 60.7° | 180.0° |
| C18 | C16 | C19 | H191 | 59.3° | 60.0° |
| C18 | C16 | C19 | H192 | 179.2° | 60.0° |
| C18 | C16 | N15 | H151 | 115.0° | 119.9° |
| C13 | C12 | C11 | H121 | 121.7° | 120.0° |
| C13 | C12 | C11 | H122 | 121.7° | 120.0° |
| C13 | C12 | C11 | N10 | 74.1° | 180.0° |
| C13 | C12 | C11 | H112 | 165.4° | 60.0° |
| C13 | C12 | C11 | H111 | 46.4° | 60.0° |
| C13 | C12 | H121 | H122 | 114.4° | 120.0° |
| C12 | C13 | N15 | H151 | 0.0° | 0.3° |
| C11 | C12 | C13 | O14 | 76.6° | 0.0° |
| C12 | C11 | N10 | H112 | 120.5° | 120.0° |
| C12 | C11 | N10 | H111 | 120.5° | 120.0° |
| C12 | C11 | N10 | C08 | 83.8° | 180.0° |
| C12 | C11 | H112 | H111 | 118.6° | 120.0° |
| C11 | C12 | H121 | H122 | 114.4° | 120.0° |
| C12 | C11 | N10 | H101 | 96.3° | 0.0° |
| O14 | C13 | C12 | H121 | 161.7° | 119.9° |
| O14 | C13 | C12 | H122 | 45.1° | 120.0° |
| O14 | C13 | N15 | H151 | 179.3° | 179.9° |
| S04 | C03 | C02 | C01 | 179.9° | 180.0° |
| S04 | C03 | C02 | N06 | 1.1° | 0.3° |
| C03 | S04 | C05 | N07 | 178.1° | 179.9° |
| C03 | S04 | C05 | N06 | 0.1° | 0.0° |
| C05 | S04 | C03 | C02 | 0.8° | 0.2° |
| S04 | C05 | N07 | C08 | 1.0° | 179.9° |
| S04 | C05 | N06 | C02 | 0.5° | 0.1° |
| S04 | C05 | N07 | N06 | 178.0° | 179.9° |
| S04 | C05 | N07 | H071 | 179.0° | 0.1° |
| O09 | C08 | N10 | C11 | 0.4° | 0.0° |
| O09 | C08 | N10 | N07 | 179.7° | 179.9° |
| O09 | C08 | N07 | C05 | 1.5° | 0.1° |
| O09 | C08 | N07 | H071 | 178.5° | 180.0° |
| O09 | C08 | N10 | H101 | 179.6° | 179.9° |
| C03 | C02 | C01 | N06 | 178.6° | 179.7° |
| C03 | C02 | N06 | C05 | 1.0° | 0.3° |
| C03 | C02 | C01 | H013 | 178.6° | 93.9° |
| C03 | C02 | C01 | H012 | 58.6° | 26.2° |
| C03 | C02 | C01 | H011 | 61.4° | 146.1° |
| C11 | N10 | C08 | H101 | 180.0° | 180.0° |
| C11 | N10 | C08 | N07 | 179.3° | 180.0° |
| N10 | C11 | H112 | H111 | 118.6° | 120.0° |
| N10 | C11 | C12 | H121 | 47.7° | 60.0° |
| N10 | C11 | C12 | H122 | 164.2° | 60.0° |
| N10 | C08 | N07 | C05 | 178.7° | 180.0° |
| C08 | N10 | C11 | H112 | 36.7° | 60.0° |
| C08 | N10 | C11 | H111 | 155.8° | 60.0° |
| N10 | C08 | N07 | H071 | 1.2° | 0.0° |
| C08 | N07 | C05 | H071 | 180.0° | 180.0° |
| C08 | N07 | C05 | N06 | 179.0° | 0.0° |
| N07 | C08 | N10 | H101 | 0.7° | 0.0° |
| C01 | C02 | N06 | C05 | 179.8° | 180.0° |
| C02 | C01 | H013 | H012 | 120.0° | 120.1° |
| C02 | C01 | H013 | H011 | 120.0° | 120.1° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C02 | N06 | C05 | N07 | 178.8° | 180.0° |
| N06 | C02 | C01 | H013 | 0.0° | 85.8° |
| N06 | C02 | C01 | H012 | 120.0° | 154.1° |
| N06 | C02 | C01 | H011 | 120.0° | 34.2° |
| N06 | C05 | N07 | H071 | 1.0° | 180.0° |
| H171 | C17 | H173 | H172 | 120.0° | 119.9° |
| H211 | C21 | C22 | H221 | 0.3° | 0.1° |
| H241 | C24 | C25 | H251 | 0.2° | 0.5° |
| H283 | C28 | H282 | H281 | 120.0° | 120.0° |
| H013 | C01 | H012 | H011 | 120.0° | 119.9° |
| H112 | C11 | C12 | H121 | 72.8° | 180.0° |
| H112 | C11 | C12 | H122 | 43.7° | 59.9° |
| H112 | C11 | N10 | H101 | 143.3° | 120.0° |
| H111 | C11 | C12 | H121 | 168.1° | 60.0° |
| H111 | C11 | C12 | H122 | 75.4° | 180.0° |
| H111 | C11 | N10 | H101 | 24.2° | 120.0° |
| H182 | C18 | H181 | H183 | 120.0° | 120.0° |
| H193 | C19 | H191 | H192 | 120.0° | 120.0° |
