V0Q
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C01 | C02 | sing | 1.53Å | 1.53Å | |
C02 | N03 | sing | 1.47Å | 1.31Å | |
N03 | C18 | sing | 1.47Å | 1.37Å | |
N03 | C04 | sing | 1.47Å | 1.39Å | |
C18 | C17 | sing | 1.53Å | 1.55Å | |
C04 | C05 | sing | 1.53Å | 1.56Å | |
C17 | N06 | sing | 1.47Å | 1.46Å | |
N06 | C05 | sing | 1.47Å | 1.45Å | |
N06 | S07 | sing | 1.66Å | 1.72Å | |
O16 | S07 | doub | 1.42Å | 1.43Å | |
S07 | O08 | doub | 1.42Å | 1.50Å | |
S07 | C09 | sing | 1.76Å | 1.82Å | |
C09 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
C09 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
C15 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
C11 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
C14 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
C12 | C13 | sing | 1.51Å | 1.51Å | |
C13 | O1 | sing | 1.43Å | 1.43Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C02 | H4 | sing | 1.09Å | 1.10Å | |
C02 | H5 | sing | 1.09Å | 1.10Å | |
C04 | H6 | sing | 1.09Å | 1.10Å | |
C04 | H7 | sing | 1.09Å | 1.10Å | |
C05 | H8 | sing | 1.09Å | 1.10Å | |
C05 | H9 | sing | 1.09Å | 1.10Å | |
C10 | H10 | sing | 1.08Å | 1.08Å | |
C11 | H11 | sing | 1.08Å | 1.08Å | |
C13 | H12 | sing | 1.09Å | 1.10Å | |
C13 | H13 | sing | 1.09Å | 1.10Å | |
C14 | H14 | sing | 1.08Å | 1.08Å | |
C15 | H15 | sing | 1.08Å | 1.08Å | |
C17 | H16 | sing | 1.09Å | 1.10Å | |
C17 | H17 | sing | 1.09Å | 1.10Å | |
C18 | H18 | sing | 1.09Å | 1.10Å | |
C18 | H19 | sing | 1.09Å | 1.10Å | |
O1 | H21 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C01 | C02 | N03 | 111.4° | 109.5° |
C02 | C01 | H1 | 109.5° | 109.4° |
C02 | C01 | H2 | 109.5° | 109.5° |
C02 | C01 | H3 | 109.4° | 109.5° |
C01 | C02 | H4 | 109.0° | 109.5° |
C01 | C02 | H5 | 109.0° | 109.5° |
C02 | N03 | C18 | 112.9° | 111.0° |
C02 | N03 | C04 | 114.1° | 111.0° |
N03 | C02 | H4 | 109.0° | 109.5° |
N03 | C02 | H5 | 109.0° | 109.5° |
C18 | N03 | C04 | 120.9° | 111.2° |
N03 | C18 | C17 | 116.3° | 109.4° |
N03 | C18 | H18 | 107.7° | 109.5° |
N03 | C18 | H19 | 107.7° | 109.5° |
N03 | C04 | C05 | 118.0° | 109.3° |
N03 | C04 | H6 | 107.3° | 109.5° |
N03 | C04 | H7 | 107.3° | 109.5° |
C18 | C17 | N06 | 113.0° | 108.5° |
C18 | C17 | H16 | 108.6° | 109.6° |
C18 | C17 | H17 | 108.6° | 109.8° |
C17 | C18 | H18 | 107.7° | 109.5° |
C17 | C18 | H19 | 107.7° | 109.5° |
C04 | C05 | N06 | 111.6° | 108.5° |
C05 | C04 | H6 | 107.3° | 109.5° |
C05 | C04 | H7 | 107.3° | 109.4° |
C04 | C05 | H8 | 108.9° | 109.6° |
C04 | C05 | H9 | 109.0° | 109.7° |
C17 | N06 | C05 | 107.3° | 118.3° |
C17 | N06 | S07 | 118.9° | 120.9° |
N06 | C17 | H16 | 108.6° | 109.7° |
N06 | C17 | H17 | 108.6° | 109.6° |
C05 | N06 | S07 | 121.1° | 120.8° |
N06 | C05 | H8 | 108.9° | 109.6° |
N06 | C05 | H9 | 108.9° | 109.8° |
N06 | S07 | O16 | 113.4° | 106.4° |
N06 | S07 | O08 | 114.4° | 106.4° |
N06 | S07 | C09 | 101.7° | 107.2° |
O16 | S07 | O08 | 106.6° | 123.1° |
O16 | S07 | C09 | 109.7° | 106.4° |
O08 | S07 | C09 | 111.0° | 106.4° |
S07 | C09 | C10 | 118.7° | 120.0° |
S07 | C09 | C15 | 119.2° | 120.0° |
C10 | C09 | C15 | 122.1° | 120.0° |
C09 | C10 | C11 | 119.3° | 120.0° |
C09 | C10 | H10 | 120.4° | 120.0° |
C09 | C15 | C14 | 118.6° | 120.0° |
C09 | C15 | H15 | 120.7° | 120.0° |
C10 | C11 | C12 | 118.8° | 120.0° |
C11 | C10 | H10 | 120.4° | 119.9° |
C10 | C11 | H11 | 120.6° | 120.1° |
C15 | C14 | C12 | 119.6° | 120.0° |
C15 | C14 | H14 | 120.2° | 120.0° |
C14 | C15 | H15 | 120.7° | 120.0° |
C11 | C12 | C14 | 121.7° | 120.0° |
C11 | C12 | C13 | 117.3° | 120.0° |
C12 | C11 | H11 | 120.7° | 119.9° |
C14 | C12 | C13 | 120.9° | 120.0° |
C12 | C14 | H14 | 120.2° | 120.0° |
C12 | C13 | O1 | 112.1° | 109.4° |
C12 | C13 | H12 | 108.8° | 109.4° |
C12 | C13 | H13 | 108.8° | 109.5° |
O1 | C13 | H12 | 108.8° | 109.5° |
O1 | C13 | H13 | 108.8° | 109.5° |
C13 | O1 | H21 | 109.5° | 113.9° |
H1 | C01 | H2 | 109.4° | 109.5° |
H1 | C01 | H3 | 109.5° | 109.5° |
H2 | C01 | H3 | 109.5° | 109.5° |
H4 | C02 | H5 | 109.4° | 109.5° |
H6 | C04 | H7 | 109.4° | 109.6° |
H8 | C05 | H9 | 109.4° | 109.6° |
H12 | C13 | H13 | 109.5° | 109.5° |
H16 | C17 | H17 | 109.5° | 109.6° |
H18 | C18 | H19 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C01 | C02 | N03 | H4 | 120.3° | 120.0° |
C01 | C02 | N03 | H5 | 120.3° | 120.0° |
C01 | C02 | N03 | C18 | 73.2° | 170.0° |
C01 | C02 | N03 | C04 | 70.0° | 65.7° |
C02 | C01 | H1 | H2 | 120.0° | 120.0° |
C02 | C01 | H1 | H3 | 120.0° | 120.0° |
C02 | C01 | H2 | H3 | 120.0° | 120.0° |
C01 | C02 | H4 | H5 | 119.1° | 120.0° |
C02 | N03 | C18 | C04 | 140.4° | 124.2° |
C02 | N03 | C18 | C17 | 158.7° | 172.7° |
C02 | N03 | C04 | C05 | 157.1° | 172.7° |
N03 | C02 | C01 | H1 | 180.0° | 180.0° |
N03 | C02 | C01 | H2 | 60.0° | 59.9° |
N03 | C02 | C01 | H3 | 60.0° | 60.0° |
N03 | C02 | H4 | H5 | 119.1° | 120.0° |
C02 | N03 | C04 | H6 | 81.7° | 67.3° |
C02 | N03 | C04 | H7 | 35.8° | 52.8° |
C02 | N03 | C18 | H18 | 37.7° | 52.8° |
C02 | N03 | C18 | H19 | 80.3° | 67.3° |
N03 | C18 | C17 | H18 | 121.0° | 120.0° |
N03 | C18 | C17 | H19 | 121.0° | 120.0° |
C18 | N03 | C04 | C05 | 17.0° | 63.1° |
N03 | C18 | C17 | N06 | 40.6° | 53.8° |
C18 | N03 | C02 | H4 | 47.1° | 70.0° |
C18 | N03 | C02 | H5 | 166.5° | 50.0° |
C18 | N03 | C04 | H6 | 138.3° | 56.9° |
C18 | N03 | C04 | H7 | 104.2° | 177.0° |
N03 | C18 | C17 | H16 | 161.1° | 173.6° |
N03 | C18 | C17 | H17 | 79.9° | 66.0° |
N03 | C18 | H18 | H19 | 116.9° | 120.1° |
C04 | N03 | C18 | C17 | 18.2° | 63.1° |
N03 | C04 | C05 | H6 | 121.2° | 119.9° |
N03 | C04 | C05 | H7 | 121.2° | 119.9° |
N03 | C04 | C05 | N06 | 37.5° | 53.8° |
C04 | N03 | C02 | H4 | 169.6° | 54.3° |
C04 | N03 | C02 | H5 | 50.3° | 174.3° |
N03 | C04 | H6 | H7 | 116.1° | 120.1° |
N03 | C04 | C05 | H8 | 82.8° | 65.9° |
N03 | C04 | C05 | H9 | 157.8° | 173.7° |
C04 | N03 | C18 | H18 | 102.8° | 176.9° |
C04 | N03 | C18 | H19 | 139.2° | 56.9° |
C18 | C17 | N06 | H16 | 120.5° | 119.7° |
C18 | C17 | N06 | H17 | 120.5° | 119.9° |
C18 | C17 | N06 | C05 | 59.9° | 51.2° |
C18 | C17 | N06 | S07 | 157.8° | 128.8° |
C18 | C17 | H16 | H17 | 118.4° | 120.5° |
C17 | C18 | H18 | H19 | 116.9° | 120.0° |
C04 | C05 | N06 | C17 | 57.4° | 51.2° |
C04 | C05 | N06 | H8 | 120.3° | 119.7° |
C04 | C05 | N06 | H9 | 120.3° | 119.8° |
C04 | C05 | N06 | S07 | 161.3° | 128.8° |
C05 | C04 | H6 | H7 | 116.1° | 120.0° |
C04 | C05 | H8 | H9 | 119.0° | 120.4° |
C17 | N06 | C05 | S07 | 141.2° | 180.0° |
C17 | N06 | S07 | O16 | 35.3° | 156.4° |
C17 | N06 | S07 | O08 | 157.9° | 23.5° |
C17 | N06 | S07 | C09 | 82.5° | 90.0° |
C17 | N06 | C05 | H8 | 62.9° | 68.5° |
C17 | N06 | C05 | H9 | 177.8° | 171.0° |
N06 | C17 | H16 | H17 | 118.4° | 120.4° |
N06 | C17 | C18 | H18 | 80.4° | 173.8° |
N06 | C17 | C18 | H19 | 161.6° | 66.2° |
C05 | N06 | S07 | O16 | 172.2° | 23.5° |
C05 | N06 | S07 | O08 | 65.2° | 156.4° |
C05 | N06 | S07 | C09 | 54.5° | 90.1° |
N06 | C05 | C04 | H6 | 158.7° | 66.1° |
N06 | C05 | C04 | H7 | 83.8° | 173.8° |
N06 | C05 | H8 | H9 | 119.0° | 120.6° |
C05 | N06 | C17 | H16 | 179.5° | 170.9° |
C05 | N06 | C17 | H17 | 60.6° | 68.7° |
N06 | S07 | O16 | O08 | 126.8° | 122.9° |
N06 | S07 | O16 | C09 | 113.0° | 114.1° |
N06 | S07 | O08 | C09 | 114.4° | 114.1° |
N06 | S07 | C09 | C10 | 74.6° | 90.0° |
N06 | S07 | C09 | C15 | 103.3° | 90.2° |
S07 | N06 | C05 | H8 | 78.3° | 111.5° |
S07 | N06 | C05 | H9 | 41.0° | 9.0° |
S07 | N06 | C17 | H16 | 37.3° | 9.0° |
S07 | N06 | C17 | H17 | 81.7° | 111.3° |
O16 | S07 | O08 | C09 | 119.4° | 123.0° |
O16 | S07 | C09 | C10 | 45.8° | 23.6° |
O16 | S07 | C09 | C15 | 136.4° | 156.2° |
O08 | S07 | C09 | C10 | 163.3° | 156.5° |
O08 | S07 | C09 | C15 | 18.8° | 23.3° |
S07 | C09 | C10 | C15 | 177.8° | 179.8° |
S07 | C09 | C10 | C11 | 178.5° | 179.8° |
S07 | C09 | C15 | C14 | 180.0° | 179.6° |
S07 | C09 | C10 | H10 | 1.5° | 0.3° |
S07 | C09 | C15 | H15 | 0.0° | 0.3° |
C09 | C10 | C11 | H10 | 180.0° | 180.0° |
C10 | C09 | C15 | C14 | 2.2° | 0.1° |
C09 | C10 | C11 | C12 | 0.9° | 0.0° |
C09 | C10 | C11 | H11 | 179.1° | 180.0° |
C10 | C09 | C15 | H15 | 177.8° | 179.9° |
C15 | C09 | C10 | C11 | 0.7° | 0.0° |
C09 | C15 | C14 | H15 | 180.0° | 179.9° |
C09 | C15 | C14 | C12 | 2.0° | 0.2° |
C15 | C09 | C10 | H10 | 179.3° | 180.0° |
C09 | C15 | C14 | H14 | 178.1° | 180.0° |
C10 | C11 | C12 | H11 | 180.0° | 180.0° |
C10 | C11 | C12 | C14 | 1.1° | 0.0° |
C10 | C11 | C12 | C13 | 179.7° | 180.0° |
C15 | C14 | C12 | C11 | 0.3° | 0.1° |
C15 | C14 | C12 | H14 | 180.0° | 179.9° |
C15 | C14 | C12 | C13 | 178.8° | 179.9° |
C11 | C12 | C14 | C13 | 179.1° | 180.0° |
C11 | C12 | C13 | O1 | 168.9° | 90.0° |
C12 | C11 | C10 | H10 | 179.1° | 180.0° |
C11 | C12 | C13 | H12 | 48.4° | 150.0° |
C11 | C12 | C13 | H13 | 70.8° | 30.0° |
C11 | C12 | C14 | H14 | 179.7° | 179.9° |
C14 | C12 | C13 | O1 | 12.0° | 90.0° |
C14 | C12 | C11 | H11 | 178.9° | 180.0° |
C14 | C12 | C13 | H12 | 132.4° | 30.0° |
C14 | C12 | C13 | H13 | 108.4° | 150.0° |
C12 | C14 | C15 | H15 | 178.0° | 179.9° |
C12 | C13 | O1 | H12 | 120.4° | 120.0° |
C12 | C13 | O1 | H13 | 120.4° | 120.0° |
C13 | C12 | C11 | H11 | 0.3° | 0.1° |
C12 | C13 | H12 | H13 | 118.8° | 120.0° |
C13 | C12 | C14 | H14 | 1.2° | 0.0° |
C12 | C13 | O1 | H21 | 180.0° | 180.0° |
O1 | C13 | H12 | H13 | 118.8° | 120.1° |
H1 | C01 | H2 | H3 | 120.0° | 120.0° |
H1 | C01 | C02 | H4 | 59.7° | 60.0° |
H1 | C01 | C02 | H5 | 59.7° | 60.0° |
H2 | C01 | C02 | H4 | 60.3° | 60.0° |
H2 | C01 | C02 | H5 | 179.7° | 180.0° |
H3 | C01 | C02 | H4 | 179.7° | 180.0° |
H3 | C01 | C02 | H5 | 60.3° | 60.0° |
H6 | C04 | C05 | H8 | 38.4° | 174.2° |
H6 | C04 | C05 | H9 | 80.9° | 53.8° |
H7 | C04 | C05 | H8 | 155.9° | 54.1° |
H7 | C04 | C05 | H9 | 36.6° | 66.3° |
H10 | C10 | C11 | H11 | 0.9° | 0.0° |
H12 | C13 | O1 | H21 | 59.6° | 60.0° |
H13 | C13 | O1 | H21 | 59.6° | 60.0° |
H14 | C14 | C15 | H15 | 1.9° | 0.1° |
H16 | C17 | C18 | H18 | 40.1° | 66.4° |
H16 | C17 | C18 | H19 | 77.9° | 53.6° |
H17 | C17 | C18 | H18 | 159.0° | 54.0° |
H17 | C17 | C18 | H19 | 41.0° | 174.0° |