U7V
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O26 | C25 | sing | 1.43Å | 1.40Å | |
C25 | C21 | sing | 1.53Å | 1.52Å | |
C21 | O22 | sing | 1.46Å | 1.41Å | |
C21 | C20 | sing | 1.54Å | 1.49Å | |
O22 | C23 | sing | 1.34Å | 1.43Å | |
C20 | N19 | sing | 1.47Å | 1.40Å | |
C23 | O24 | doub | 1.22Å | 1.18Å | |
C23 | N19 | sing | 1.34Å | 1.46Å | |
N19 | C16 | sing | 1.40Å | 1.44Å | |
C16 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
C16 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
C14 | F27 | sing | 1.35Å | 1.36Å | |
C14 | C13 | doub | 1.40Å | 1.38Å | Aromatic |
C18 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
C13 | C10 | sing | 1.48Å | 1.52Å | |
C10 | C11 | doub | 1.40Å | 1.38Å | Aromatic |
C10 | C09 | sing | 1.39Å | 1.39Å | Aromatic |
C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
C09 | N08 | doub | 1.32Å | 1.33Å | Aromatic |
C12 | C07 | doub | 1.39Å | 1.38Å | Aromatic |
N08 | C07 | sing | 1.33Å | 1.32Å | Aromatic |
C07 | C04 | sing | 1.48Å | 1.52Å | |
C04 | N03 | doub | 1.32Å | 1.34Å | Aromatic |
C04 | N05 | sing | 1.34Å | 1.34Å | Aromatic |
N03 | N02 | sing | 1.29Å | 1.34Å | Aromatic |
N05 | N06 | doub | 1.29Å | 1.36Å | Aromatic |
N02 | N06 | sing | 1.29Å | 1.34Å | Aromatic |
N02 | C01 | sing | 1.47Å | 1.45Å | |
C11 | H111 | sing | 1.08Å | 1.08Å | |
C01 | H011 | sing | 1.09Å | 1.10Å | |
C01 | H013 | sing | 1.09Å | 1.10Å | |
C01 | H012 | sing | 1.09Å | 1.10Å | |
C09 | H091 | sing | 1.08Å | 1.08Å | |
C12 | H121 | sing | 1.08Å | 1.08Å | |
C15 | H151 | sing | 1.08Å | 1.08Å | |
C17 | H171 | sing | 1.08Å | 1.08Å | |
C18 | H181 | sing | 1.08Å | 1.08Å | |
C20 | H202 | sing | 1.09Å | 1.10Å | |
C20 | H201 | sing | 1.09Å | 1.10Å | |
C21 | H211 | sing | 1.09Å | 1.10Å | |
C25 | H252 | sing | 1.09Å | 1.10Å | |
C25 | H251 | sing | 1.09Å | 1.10Å | |
O26 | H261 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O26 | C25 | C21 | 107.7° | 109.5° |
O26 | C25 | H252 | 109.9° | 109.4° |
O26 | C25 | H251 | 110.0° | 109.5° |
C25 | O26 | H261 | 109.5° | 114.0° |
C25 | C21 | O22 | 103.7° | 110.5° |
C25 | C21 | C20 | 108.0° | 110.3° |
C25 | C21 | H211 | 111.3° | 110.6° |
C21 | C25 | H252 | 109.9° | 109.5° |
C21 | C25 | H251 | 109.9° | 109.5° |
O22 | C21 | C20 | 108.7° | 104.0° |
C21 | O22 | C23 | 103.6° | 109.5° |
O22 | C21 | H211 | 113.0° | 110.5° |
C21 | C20 | N19 | 104.3° | 103.8° |
C21 | C20 | H202 | 110.7° | 110.5° |
C21 | C20 | H201 | 110.8° | 110.7° |
C20 | C21 | H211 | 111.7° | 110.7° |
O22 | C23 | O24 | 127.6° | 123.0° |
O22 | C23 | N19 | 105.2° | 113.9° |
C20 | N19 | C23 | 106.4° | 108.9° |
C20 | N19 | C16 | 131.6° | 125.6° |
N19 | C20 | H202 | 110.7° | 110.5° |
N19 | C20 | H201 | 110.7° | 110.5° |
O24 | C23 | N19 | 127.2° | 123.1° |
C23 | N19 | C16 | 122.0° | 125.5° |
N19 | C16 | C15 | 122.8° | 119.9° |
N19 | C16 | C17 | 116.1° | 119.9° |
C15 | C16 | C17 | 121.1° | 120.1° |
C16 | C15 | C14 | 118.9° | 120.0° |
C16 | C15 | H151 | 120.6° | 119.9° |
C16 | C17 | C18 | 120.0° | 120.1° |
C16 | C17 | H171 | 120.0° | 120.0° |
C15 | C14 | F27 | 121.0° | 120.0° |
C15 | C14 | C13 | 119.8° | 119.9° |
C14 | C15 | H151 | 120.6° | 120.0° |
C17 | C18 | C13 | 119.3° | 119.9° |
C18 | C17 | H171 | 120.0° | 119.9° |
C17 | C18 | H181 | 120.3° | 120.0° |
F27 | C14 | C13 | 119.2° | 120.1° |
C14 | C13 | C18 | 121.0° | 119.9° |
C14 | C13 | C10 | 120.3° | 120.0° |
C18 | C13 | C10 | 118.7° | 120.1° |
C13 | C18 | H181 | 120.4° | 120.0° |
C13 | C10 | C11 | 115.7° | 120.4° |
C13 | C10 | C09 | 124.8° | 120.4° |
C11 | C10 | C09 | 119.5° | 119.1° |
C10 | C11 | C12 | 118.5° | 118.4° |
C10 | C11 | H111 | 120.7° | 120.8° |
C10 | C09 | N08 | 120.2° | 120.7° |
C10 | C09 | H091 | 119.9° | 119.7° |
C11 | C12 | C07 | 119.5° | 119.2° |
C12 | C11 | H111 | 120.7° | 120.9° |
C11 | C12 | H121 | 120.2° | 120.3° |
C09 | N08 | C07 | 121.7° | 121.7° |
N08 | C09 | H091 | 119.9° | 119.6° |
C12 | C07 | N08 | 120.6° | 120.9° |
C12 | C07 | C04 | 116.2° | 119.6° |
C07 | C12 | H121 | 120.2° | 120.4° |
N08 | C07 | C04 | 123.2° | 119.6° |
C07 | C04 | N03 | 122.6° | 126.7° |
C07 | C04 | N05 | 129.3° | 126.7° |
N03 | C04 | N05 | 108.1° | 106.6° |
C04 | N03 | N02 | 108.5° | 107.8° |
C04 | N05 | N06 | 107.4° | 107.3° |
N03 | N02 | N06 | 108.0° | 109.4° |
N03 | N02 | C01 | 124.5° | 125.3° |
N05 | N06 | N02 | 108.0° | 108.9° |
N06 | N02 | C01 | 127.6° | 125.3° |
N02 | C01 | H011 | 109.5° | 109.5° |
N02 | C01 | H013 | 109.4° | 109.5° |
N02 | C01 | H012 | 109.5° | 109.5° |
H011 | C01 | H013 | 109.5° | 109.5° |
H011 | C01 | H012 | 109.5° | 109.5° |
H013 | C01 | H012 | 109.5° | 109.4° |
H202 | C20 | H201 | 109.5° | 110.5° |
H252 | C25 | H251 | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O26 | C25 | C21 | H252 | 119.7° | 120.0° |
O26 | C25 | C21 | H251 | 119.7° | 120.0° |
O26 | C25 | C21 | O22 | 73.6° | 66.4° |
O26 | C25 | C21 | C20 | 171.1° | 179.1° |
O26 | C25 | C21 | H211 | 48.2° | 56.3° |
O26 | C25 | H252 | H251 | 120.9° | 120.0° |
C25 | C21 | O22 | C20 | 114.7° | 118.4° |
C25 | C21 | O22 | H211 | 120.7° | 122.7° |
C25 | C21 | C20 | H211 | 122.7° | 122.7° |
C25 | C21 | O22 | C23 | 93.0° | 118.6° |
C25 | C21 | C20 | N19 | 110.2° | 118.5° |
C25 | C21 | C20 | H202 | 130.6° | 0.0° |
C25 | C21 | C20 | H201 | 8.9° | 122.9° |
C21 | C25 | H252 | H251 | 120.8° | 120.0° |
C21 | C25 | O26 | H261 | 180.0° | 180.0° |
O22 | C21 | C20 | H211 | 125.4° | 118.7° |
O22 | C21 | C20 | N19 | 1.6° | 0.0° |
C21 | O22 | C23 | O24 | 146.6° | 180.0° |
C21 | O22 | C23 | N19 | 33.3° | 0.4° |
O22 | C21 | C20 | H202 | 117.5° | 118.6° |
O22 | C21 | C20 | H201 | 120.8° | 118.6° |
O22 | C21 | C25 | H252 | 166.6° | 53.5° |
O22 | C21 | C25 | H251 | 46.1° | 173.5° |
C20 | C21 | O22 | C23 | 21.7° | 0.2° |
C21 | C20 | N19 | H202 | 119.2° | 118.5° |
C21 | C20 | N19 | H201 | 119.2° | 118.7° |
C21 | C20 | N19 | C23 | 19.0° | 0.3° |
C21 | C20 | N19 | C16 | 159.8° | 180.0° |
C21 | C20 | H202 | H201 | 122.4° | 123.0° |
C20 | C21 | C25 | H252 | 51.4° | 61.0° |
C20 | C21 | C25 | H251 | 69.1° | 59.0° |
O22 | C23 | N19 | C20 | 33.3° | 0.5° |
O22 | C23 | O24 | N19 | 179.8° | 179.5° |
O22 | C23 | N19 | C16 | 145.7° | 179.8° |
C23 | O22 | C21 | H211 | 146.4° | 118.6° |
C20 | N19 | C23 | O24 | 146.6° | 180.0° |
C20 | N19 | C23 | C16 | 179.0° | 179.7° |
C20 | N19 | C16 | C15 | 59.7° | 5.8° |
C20 | N19 | C16 | C17 | 123.3° | 174.2° |
N19 | C20 | H202 | H201 | 122.4° | 122.7° |
N19 | C20 | C21 | H211 | 127.1° | 118.8° |
O24 | C23 | N19 | C16 | 34.4° | 0.3° |
C23 | N19 | C16 | C15 | 121.6° | 173.9° |
C23 | N19 | C16 | C17 | 55.4° | 6.1° |
C23 | N19 | C20 | H202 | 138.2° | 118.8° |
C23 | N19 | C20 | H201 | 100.2° | 118.5° |
N19 | C16 | C15 | C17 | 176.9° | 180.0° |
N19 | C16 | C15 | C14 | 178.2° | 180.0° |
N19 | C16 | C17 | C18 | 178.4° | 179.7° |
N19 | C16 | C15 | H151 | 1.8° | 0.0° |
N19 | C16 | C17 | H171 | 1.6° | 0.0° |
C16 | N19 | C20 | H202 | 40.7° | 61.5° |
C16 | N19 | C20 | H201 | 81.0° | 61.3° |
C16 | C15 | C14 | H151 | 180.0° | 179.9° |
C15 | C16 | C17 | C18 | 1.4° | 0.2° |
C16 | C15 | C14 | F27 | 179.3° | 179.9° |
C16 | C15 | C14 | C13 | 0.3° | 0.0° |
C15 | C16 | C17 | H171 | 178.6° | 180.0° |
C17 | C16 | C15 | C14 | 1.3° | 0.1° |
C16 | C17 | C18 | H171 | 180.0° | 179.7° |
C16 | C17 | C18 | C13 | 0.2° | 0.5° |
C17 | C16 | C15 | H151 | 178.6° | 180.0° |
C16 | C17 | C18 | H181 | 179.7° | 180.0° |
C15 | C14 | F27 | C13 | 179.0° | 180.0° |
C15 | C14 | C13 | C18 | 2.0° | 0.3° |
C15 | C14 | C13 | C10 | 178.2° | 180.0° |
C17 | C18 | C13 | C14 | 1.9° | 0.6° |
C17 | C18 | C13 | H181 | 180.0° | 179.5° |
C17 | C18 | C13 | C10 | 178.2° | 179.7° |
F27 | C14 | C13 | C18 | 179.1° | 179.8° |
F27 | C14 | C13 | C10 | 2.8° | 0.1° |
F27 | C14 | C15 | H151 | 0.7° | 0.0° |
C14 | C13 | C18 | C10 | 176.3° | 179.7° |
C14 | C13 | C10 | C11 | 58.0° | 130.0° |
C14 | C13 | C10 | C09 | 124.3° | 49.9° |
C13 | C14 | C15 | H151 | 179.7° | 180.0° |
C14 | C13 | C18 | H181 | 178.1° | 179.9° |
C18 | C13 | C10 | C11 | 118.3° | 50.3° |
C18 | C13 | C10 | C09 | 59.4° | 129.8° |
C13 | C18 | C17 | H171 | 179.8° | 179.7° |
C13 | C10 | C11 | C09 | 177.8° | 179.9° |
C13 | C10 | C11 | C12 | 179.2° | 180.0° |
C13 | C10 | C09 | N08 | 178.7° | 179.4° |
C13 | C10 | C11 | H111 | 0.9° | 0.3° |
C13 | C10 | C09 | H091 | 1.2° | 0.4° |
C10 | C13 | C18 | H181 | 1.8° | 0.2° |
C10 | C11 | C12 | H111 | 180.0° | 179.7° |
C11 | C10 | C09 | N08 | 1.1° | 0.6° |
C10 | C11 | C12 | C07 | 0.6° | 0.3° |
C11 | C10 | C09 | H091 | 178.9° | 179.7° |
C10 | C11 | C12 | H121 | 179.4° | 179.7° |
C09 | C10 | C11 | C12 | 1.3° | 0.0° |
C10 | C09 | N08 | H091 | 180.0° | 179.0° |
C10 | C09 | N08 | C07 | 0.2° | 0.9° |
C09 | C10 | C11 | H111 | 178.7° | 179.7° |
C11 | C12 | C07 | H121 | 180.0° | 180.0° |
C11 | C12 | C07 | N08 | 0.3° | 0.0° |
C11 | C12 | C07 | C04 | 179.1° | 180.0° |
C09 | N08 | C07 | C12 | 0.6° | 0.6° |
C09 | N08 | C07 | C04 | 179.3° | 179.4° |
C12 | C07 | N08 | C04 | 178.7° | 180.0° |
C12 | C07 | C04 | N03 | 45.2° | 180.0° |
C12 | C07 | C04 | N05 | 134.5° | 0.1° |
C07 | C12 | C11 | H111 | 179.4° | 180.0° |
N08 | C07 | C04 | N03 | 133.5° | 0.0° |
N08 | C07 | C04 | N05 | 46.7° | 179.9° |
C07 | N08 | C09 | H091 | 179.8° | 180.0° |
N08 | C07 | C12 | H121 | 179.7° | 180.0° |
C07 | C04 | N03 | N05 | 179.8° | 179.9° |
C07 | C04 | N03 | N02 | 179.9° | 180.0° |
C07 | C04 | N05 | N06 | 179.9° | 180.0° |
C04 | C07 | C12 | H121 | 0.9° | 0.0° |
N03 | C04 | N05 | N06 | 0.1° | 0.0° |
C04 | N03 | N02 | N06 | 0.1° | 0.1° |
C04 | N03 | N02 | C01 | 179.9° | 179.7° |
N05 | C04 | N03 | N02 | 0.1° | 0.0° |
C04 | N05 | N06 | N02 | 0.0° | 0.0° |
N03 | N02 | N06 | N05 | 0.0° | 0.0° |
N03 | N02 | N06 | C01 | 180.0° | 179.8° |
N03 | N02 | C01 | H011 | 0.0° | 89.7° |
N03 | N02 | C01 | H013 | 120.0° | 30.3° |
N03 | N02 | C01 | H012 | 120.0° | 150.2° |
N05 | N06 | N02 | C01 | 180.0° | 179.7° |
N06 | N02 | C01 | H011 | 180.0° | 90.0° |
N06 | N02 | C01 | H013 | 60.0° | 150.0° |
N06 | N02 | C01 | H012 | 60.0° | 30.0° |
N02 | C01 | H011 | H013 | 120.0° | 120.0° |
N02 | C01 | H011 | H012 | 120.0° | 120.0° |
N02 | C01 | H013 | H012 | 120.0° | 120.0° |
H111 | C11 | C12 | H121 | 0.6° | 0.0° |
H011 | C01 | H013 | H012 | 120.0° | 120.0° |
H171 | C17 | C18 | H181 | 0.3° | 0.2° |
H202 | C20 | C21 | H211 | 7.9° | 122.7° |
H201 | C20 | C21 | H211 | 113.8° | 0.1° |
H211 | C21 | C25 | H252 | 71.6° | 176.2° |
H211 | C21 | C25 | H251 | 167.9° | 63.8° |
H252 | C25 | O26 | H261 | 60.3° | 60.0° |
H251 | C25 | O26 | H261 | 60.3° | 59.9° |