PKT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C01 | C02 | sing | 1.53Å | 1.52Å | |
C02 | C03 | sing | 1.53Å | 1.52Å | |
C02 | C04 | sing | 1.53Å | 1.52Å | |
C02 | O05 | sing | 1.45Å | 1.44Å | |
O05 | C06 | sing | 1.35Å | 1.47Å | |
C06 | O07 | doub | 1.22Å | 1.23Å | |
C06 | N08 | sing | 1.35Å | 1.34Å | |
N08 | C09 | sing | 1.47Å | 1.45Å | |
C09 | C10 | sing | 1.53Å | 1.53Å | |
C09 | C24 | sing | 1.53Å | 1.52Å | |
C10 | S11 | sing | 1.81Å | 1.77Å | |
S11 | C12 | sing | 1.81Å | 1.76Å | |
C12 | C13 | sing | 1.53Å | 1.53Å | |
C13 | C14 | sing | 1.51Å | 1.51Å | |
C14 | O15 | doub | 1.21Å | 1.23Å | |
C14 | N16 | sing | 1.35Å | 1.33Å | |
N16 | C17 | sing | 1.46Å | 1.45Å | |
C17 | C18 | sing | 1.51Å | 1.51Å | |
C18 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
C18 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
C19 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
C21 | N22 | sing | 1.32Å | 1.35Å | Aromatic |
N22 | C23 | doub | 1.32Å | 1.34Å | Aromatic |
C24 | C25 | sing | 1.51Å | 1.50Å | |
C25 | C26 | doub | 1.34Å | 1.39Å | Aromatic |
C25 | C33 | sing | 1.47Å | 1.47Å | Aromatic |
C26 | N27 | sing | 1.37Å | 1.36Å | Aromatic |
N27 | C28 | sing | 1.38Å | 1.34Å | Aromatic |
C28 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
C28 | C33 | sing | 1.41Å | 1.47Å | Aromatic |
C29 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
C30 | C31 | doub | 1.39Å | 1.40Å | Aromatic |
C31 | C32 | sing | 1.37Å | 1.40Å | Aromatic |
C32 | C33 | doub | 1.40Å | 1.39Å | Aromatic |
C01 | H01 | sing | 1.09Å | 1.10Å | |
C01 | H01A | sing | 1.09Å | 1.10Å | |
C01 | H01B | sing | 1.09Å | 1.10Å | |
C03 | H03 | sing | 1.09Å | 1.10Å | |
C03 | H03A | sing | 1.09Å | 1.10Å | |
C03 | H03B | sing | 1.09Å | 1.10Å | |
C04 | H04 | sing | 1.09Å | 1.10Å | |
C04 | H04A | sing | 1.09Å | 1.10Å | |
C04 | H04B | sing | 1.09Å | 1.10Å | |
N08 | HN08 | sing | 0.97Å | 1.00Å | |
C09 | H09 | sing | 1.09Å | 1.10Å | |
C10 | H10 | sing | 1.09Å | 1.10Å | |
C10 | H10A | sing | 1.09Å | 1.10Å | |
C12 | H12 | sing | 1.09Å | 1.10Å | |
C12 | H12A | sing | 1.09Å | 1.10Å | |
C13 | H13 | sing | 1.09Å | 1.10Å | |
C13 | H13A | sing | 1.09Å | 1.10Å | |
N16 | HN16 | sing | 0.97Å | 1.00Å | |
C17 | H17 | sing | 1.09Å | 1.10Å | |
C17 | H17A | sing | 1.09Å | 1.10Å | |
C19 | H19 | sing | 1.08Å | 1.08Å | |
C20 | H20 | sing | 1.08Å | 1.08Å | |
C21 | H21 | sing | 1.08Å | 1.08Å | |
C23 | H23 | sing | 1.08Å | 1.08Å | |
C24 | H24 | sing | 1.09Å | 1.10Å | |
C24 | H24A | sing | 1.09Å | 1.10Å | |
C26 | H26 | sing | 1.08Å | 1.08Å | |
N27 | HN27 | sing | 0.97Å | 1.00Å | |
C29 | H29 | sing | 1.08Å | 1.08Å | |
C30 | H30 | sing | 1.08Å | 1.08Å | |
C31 | H31 | sing | 1.08Å | 1.08Å | |
C32 | H32 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C01 | C02 | C03 | 109.7° | 109.4° |
C01 | C02 | C04 | 109.8° | 109.5° |
C01 | C02 | O05 | 106.4° | 109.5° |
C02 | C01 | H01 | 109.5° | 109.5° |
C02 | C01 | H01A | 109.5° | 109.4° |
C02 | C01 | H01B | 109.5° | 109.5° |
C03 | C02 | C04 | 108.5° | 109.5° |
C03 | C02 | O05 | 111.5° | 109.5° |
C02 | C03 | H03 | 109.5° | 109.5° |
C02 | C03 | H03A | 109.4° | 109.5° |
C02 | C03 | H03B | 109.5° | 109.5° |
C04 | C02 | O05 | 111.0° | 109.5° |
C02 | C04 | H04 | 109.5° | 109.5° |
C02 | C04 | H04A | 109.5° | 109.5° |
C02 | C04 | H04B | 109.5° | 109.5° |
C02 | O05 | C06 | 125.5° | 117.0° |
O05 | C06 | O07 | 119.4° | 120.0° |
O05 | C06 | N08 | 117.0° | 120.0° |
O07 | C06 | N08 | 123.6° | 120.0° |
C06 | N08 | C09 | 125.2° | 120.0° |
C06 | N08 | HN08 | 117.4° | 120.0° |
N08 | C09 | C10 | 110.6° | 109.5° |
N08 | C09 | C24 | 110.4° | 109.5° |
C09 | N08 | HN08 | 117.4° | 120.0° |
N08 | C09 | H09 | 109.4° | 109.5° |
C10 | C09 | C24 | 109.4° | 109.5° |
C09 | C10 | S11 | 110.9° | 109.5° |
C10 | C09 | H09 | 108.5° | 109.5° |
C09 | C10 | H10 | 109.1° | 109.5° |
C09 | C10 | H10A | 109.2° | 109.5° |
C09 | C24 | C25 | 108.8° | 109.5° |
C24 | C09 | H09 | 108.5° | 109.5° |
C09 | C24 | H24 | 109.7° | 109.5° |
C09 | C24 | H24A | 109.6° | 109.5° |
C10 | S11 | C12 | 111.2° | 103.0° |
S11 | C10 | H10 | 109.1° | 109.4° |
S11 | C10 | H10A | 109.1° | 109.5° |
S11 | C12 | C13 | 110.3° | 109.5° |
S11 | C12 | H12 | 109.3° | 109.5° |
S11 | C12 | H12A | 109.3° | 109.5° |
C12 | C13 | C14 | 109.4° | 109.5° |
C13 | C12 | H12 | 109.3° | 109.4° |
C13 | C12 | H12A | 109.3° | 109.4° |
C12 | C13 | H13 | 109.5° | 109.5° |
C12 | C13 | H13A | 109.5° | 109.5° |
C13 | C14 | O15 | 121.3° | 120.0° |
C13 | C14 | N16 | 116.4° | 120.0° |
C14 | C13 | H13 | 109.5° | 109.5° |
C14 | C13 | H13A | 109.5° | 109.5° |
O15 | C14 | N16 | 122.3° | 120.0° |
C14 | N16 | C17 | 124.0° | 120.0° |
C14 | N16 | HN16 | 118.0° | 120.0° |
N16 | C17 | C18 | 109.8° | 109.5° |
C17 | N16 | HN16 | 118.0° | 120.0° |
N16 | C17 | H17 | 109.4° | 109.5° |
N16 | C17 | H17A | 109.4° | 109.5° |
C17 | C18 | C19 | 120.4° | 120.4° |
C17 | C18 | C23 | 119.3° | 120.5° |
C18 | C17 | H17 | 109.4° | 109.5° |
C18 | C17 | H17A | 109.4° | 109.4° |
C19 | C18 | C23 | 120.3° | 119.1° |
C18 | C19 | C20 | 117.7° | 118.4° |
C18 | C19 | H19 | 121.2° | 120.8° |
C18 | C23 | N22 | 122.8° | 120.8° |
C18 | C23 | H23 | 118.6° | 119.6° |
C19 | C20 | C21 | 118.3° | 119.2° |
C20 | C19 | H19 | 121.1° | 120.8° |
C19 | C20 | H20 | 120.8° | 120.4° |
C20 | C21 | N22 | 125.0° | 120.8° |
C21 | C20 | H20 | 120.8° | 120.4° |
C20 | C21 | H21 | 117.5° | 119.6° |
C21 | N22 | C23 | 115.9° | 121.7° |
N22 | C21 | H21 | 117.5° | 119.6° |
N22 | C23 | H23 | 118.6° | 119.6° |
C24 | C25 | C26 | 127.6° | 126.5° |
C24 | C25 | C33 | 126.7° | 126.5° |
C25 | C24 | H24 | 109.6° | 109.5° |
C25 | C24 | H24A | 109.7° | 109.4° |
C26 | C25 | C33 | 105.7° | 107.0° |
C25 | C26 | N27 | 110.4° | 109.9° |
C25 | C26 | H26 | 124.8° | 125.0° |
C25 | C33 | C28 | 105.1° | 106.0° |
C25 | C33 | C32 | 133.0° | 134.0° |
C26 | N27 | C28 | 111.3° | 109.9° |
N27 | C26 | H26 | 124.8° | 125.0° |
C26 | N27 | HN27 | 124.4° | 125.1° |
N27 | C28 | C29 | 135.2° | 133.5° |
N27 | C28 | C33 | 107.4° | 107.2° |
C28 | N27 | HN27 | 124.4° | 125.1° |
C29 | C28 | C33 | 117.3° | 119.3° |
C28 | C29 | C30 | 120.3° | 119.8° |
C28 | C29 | H29 | 119.9° | 120.1° |
C28 | C33 | C32 | 121.8° | 119.9° |
C29 | C30 | C31 | 121.7° | 120.7° |
C30 | C29 | H29 | 119.9° | 120.1° |
C29 | C30 | H30 | 119.1° | 119.6° |
C30 | C31 | C32 | 120.2° | 120.5° |
C31 | C30 | H30 | 119.1° | 119.7° |
C30 | C31 | H31 | 119.9° | 119.7° |
C31 | C32 | C33 | 118.7° | 119.8° |
C32 | C31 | H31 | 119.9° | 119.8° |
C31 | C32 | H32 | 120.7° | 120.1° |
C33 | C32 | H32 | 120.6° | 120.1° |
H01 | C01 | H01A | 109.5° | 109.5° |
H01 | C01 | H01B | 109.5° | 109.5° |
H01A | C01 | H01B | 109.5° | 109.5° |
H03 | C03 | H03A | 109.5° | 109.5° |
H03 | C03 | H03B | 109.5° | 109.4° |
H03A | C03 | H03B | 109.5° | 109.5° |
H04 | C04 | H04A | 109.4° | 109.5° |
H04 | C04 | H04B | 109.5° | 109.4° |
H04A | C04 | H04B | 109.5° | 109.4° |
H10 | C10 | H10A | 109.4° | 109.5° |
H12 | C12 | H12A | 109.5° | 109.5° |
H13 | C13 | H13A | 109.5° | 109.5° |
H17 | C17 | H17A | 109.5° | 109.4° |
H24 | C24 | H24A | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C01 | C02 | C03 | C04 | 119.9° | 120.0° |
C01 | C02 | C03 | O05 | 117.6° | 120.0° |
C01 | C02 | C04 | O05 | 117.3° | 120.0° |
C01 | C02 | O05 | C06 | 173.4° | 60.0° |
C02 | C01 | H01 | H01A | 120.0° | 120.0° |
C02 | C01 | H01 | H01B | 120.0° | 120.0° |
C02 | C01 | H01A | H01B | 120.0° | 120.0° |
C01 | C02 | C03 | H03 | 180.0° | 60.0° |
C01 | C02 | C03 | H03A | 60.0° | 180.0° |
C01 | C02 | C03 | H03B | 60.0° | 60.0° |
C01 | C02 | C04 | H04 | 180.0° | 60.0° |
C01 | C02 | C04 | H04A | 60.0° | 179.9° |
C01 | C02 | C04 | H04B | 60.0° | 60.0° |
C03 | C02 | C04 | O05 | 122.8° | 120.0° |
C03 | C02 | O05 | C06 | 53.8° | 60.0° |
C03 | C02 | C01 | H01 | 180.0° | 60.0° |
C03 | C02 | C01 | H01A | 60.0° | 180.0° |
C03 | C02 | C01 | H01B | 60.0° | 60.0° |
C02 | C03 | H03 | H03A | 120.0° | 120.0° |
C02 | C03 | H03 | H03B | 120.0° | 120.0° |
C02 | C03 | H03A | H03B | 120.0° | 120.0° |
C03 | C02 | C04 | H04 | 60.1° | 180.0° |
C03 | C02 | C04 | H04A | 59.9° | 60.0° |
C03 | C02 | C04 | H04B | 179.9° | 60.0° |
C04 | C02 | O05 | C06 | 67.2° | 180.0° |
C04 | C02 | C01 | H01 | 60.9° | 180.0° |
C04 | C02 | C01 | H01A | 59.1° | 60.0° |
C04 | C02 | C01 | H01B | 179.1° | 60.0° |
C04 | C02 | C03 | H03 | 60.0° | 60.0° |
C04 | C02 | C03 | H03A | 179.9° | 60.0° |
C04 | C02 | C03 | H03B | 60.0° | 180.0° |
C02 | C04 | H04 | H04A | 120.0° | 120.1° |
C02 | C04 | H04 | H04B | 120.0° | 120.0° |
C02 | C04 | H04A | H04B | 120.0° | 120.0° |
C02 | O05 | C06 | O07 | 88.9° | 0.0° |
C02 | O05 | C06 | N08 | 91.4° | 180.0° |
O05 | C02 | C01 | H01 | 59.3° | 60.0° |
O05 | C02 | C01 | H01A | 179.3° | 60.0° |
O05 | C02 | C01 | H01B | 60.7° | 180.0° |
O05 | C02 | C03 | H03 | 62.4° | 180.0° |
O05 | C02 | C03 | H03A | 57.6° | 60.0° |
O05 | C02 | C03 | H03B | 177.6° | 60.0° |
O05 | C02 | C04 | H04 | 62.7° | 60.0° |
O05 | C02 | C04 | H04A | 177.4° | 60.0° |
O05 | C02 | C04 | H04B | 57.3° | 180.0° |
O05 | C06 | O07 | N08 | 179.7° | 180.0° |
O05 | C06 | N08 | C09 | 121.7° | 180.0° |
O05 | C06 | N08 | HN08 | 58.3° | 0.0° |
O07 | C06 | N08 | C09 | 58.0° | 0.0° |
O07 | C06 | N08 | HN08 | 122.0° | 180.0° |
C06 | N08 | C09 | HN08 | 180.0° | 180.0° |
C06 | N08 | C09 | C10 | 150.3° | 60.0° |
C06 | N08 | C09 | C24 | 29.1° | 60.0° |
C06 | N08 | C09 | H09 | 90.2° | 180.0° |
N08 | C09 | C10 | C24 | 121.8° | 120.0° |
N08 | C09 | C10 | H09 | 120.0° | 120.0° |
N08 | C09 | C24 | H09 | 119.8° | 120.0° |
N08 | C09 | C10 | S11 | 75.5° | 65.0° |
N08 | C09 | C24 | C25 | 110.8° | 65.0° |
N08 | C09 | C10 | H10 | 44.7° | 175.0° |
N08 | C09 | C10 | H10A | 164.3° | 55.0° |
N08 | C09 | C24 | H24 | 9.1° | 55.1° |
N08 | C09 | C24 | H24A | 129.3° | 175.0° |
C10 | C09 | C24 | H09 | 118.2° | 120.0° |
C09 | C10 | S11 | H10 | 120.2° | 120.0° |
C09 | C10 | S11 | H10A | 120.2° | 120.0° |
C09 | C10 | S11 | C12 | 136.9° | 180.0° |
C10 | C09 | C24 | C25 | 127.2° | 175.0° |
C10 | C09 | N08 | HN08 | 29.6° | 120.0° |
C09 | C10 | H10 | H10A | 119.4° | 120.0° |
C10 | C09 | C24 | H24 | 112.9° | 64.9° |
C10 | C09 | C24 | H24A | 7.3° | 55.0° |
C24 | C09 | C10 | S11 | 46.2° | 175.0° |
C09 | C24 | C25 | H24 | 119.9° | 120.1° |
C09 | C24 | C25 | H24A | 119.9° | 120.0° |
C09 | C24 | C25 | C26 | 110.7° | 94.9° |
C09 | C24 | C25 | C33 | 69.5° | 84.7° |
C24 | C09 | N08 | HN08 | 150.8° | 120.0° |
C24 | C09 | C10 | H10 | 166.5° | 55.0° |
C24 | C09 | C10 | H10A | 74.0° | 65.0° |
C09 | C24 | H24 | H24A | 120.3° | 119.9° |
C10 | S11 | C12 | C13 | 55.3° | 180.0° |
S11 | C10 | C09 | H09 | 164.5° | 55.0° |
S11 | C10 | H10 | H10A | 119.3° | 120.0° |
C10 | S11 | C12 | H12 | 175.5° | 60.0° |
C10 | S11 | C12 | H12A | 64.8° | 60.0° |
S11 | C12 | C13 | H12 | 120.1° | 120.0° |
S11 | C12 | C13 | H12A | 120.1° | 120.0° |
S11 | C12 | C13 | C14 | 128.6° | 180.0° |
C12 | S11 | C10 | H10 | 102.8° | 60.0° |
C12 | S11 | C10 | H10A | 16.7° | 60.0° |
S11 | C12 | H12 | H12A | 119.6° | 120.1° |
S11 | C12 | C13 | H13 | 111.4° | 60.0° |
S11 | C12 | C13 | H13A | 8.7° | 60.0° |
C12 | C13 | C14 | H13 | 120.0° | 120.0° |
C12 | C13 | C14 | H13A | 120.0° | 120.0° |
C12 | C13 | C14 | O15 | 64.4° | 0.0° |
C12 | C13 | C14 | N16 | 114.4° | 180.0° |
C13 | C12 | H12 | H12A | 119.6° | 120.0° |
C12 | C13 | H13 | H13A | 120.1° | 120.0° |
C13 | C14 | O15 | N16 | 178.7° | 180.0° |
C13 | C14 | N16 | C17 | 54.7° | 180.0° |
C14 | C13 | C12 | H12 | 8.5° | 60.0° |
C14 | C13 | C12 | H12A | 111.3° | 60.0° |
C14 | C13 | H13 | H13A | 120.0° | 120.0° |
C13 | C14 | N16 | HN16 | 125.4° | 0.0° |
O15 | C14 | N16 | C17 | 126.6° | 0.0° |
O15 | C14 | C13 | H13 | 55.6° | 120.0° |
O15 | C14 | C13 | H13A | 175.6° | 120.0° |
O15 | C14 | N16 | HN16 | 53.4° | 180.0° |
C14 | N16 | C17 | HN16 | 180.0° | 180.0° |
C14 | N16 | C17 | C18 | 146.1° | 180.0° |
N16 | C14 | C13 | H13 | 125.6° | 60.0° |
N16 | C14 | C13 | H13A | 5.6° | 60.0° |
C14 | N16 | C17 | H17 | 93.9° | 60.0° |
C14 | N16 | C17 | H17A | 26.1° | 60.0° |
N16 | C17 | C18 | H17 | 120.0° | 120.1° |
N16 | C17 | C18 | H17A | 120.0° | 120.0° |
N16 | C17 | C18 | C19 | 47.8° | 90.0° |
N16 | C17 | C18 | C23 | 132.1° | 90.3° |
N16 | C17 | H17 | H17A | 119.9° | 120.0° |
C17 | C18 | C19 | C23 | 179.9° | 179.7° |
C17 | C18 | C19 | C20 | 179.0° | 180.0° |
C17 | C18 | C23 | N22 | 178.9° | 179.7° |
C18 | C17 | N16 | HN16 | 33.9° | 0.0° |
C18 | C17 | H17 | H17A | 119.9° | 119.9° |
C17 | C18 | C19 | H19 | 1.0° | 0.1° |
C17 | C18 | C23 | H23 | 1.0° | 0.0° |
C18 | C19 | C20 | H19 | 180.0° | 179.9° |
C18 | C19 | C20 | C21 | 0.3° | 0.1° |
C19 | C18 | C23 | N22 | 1.2° | 0.6° |
C19 | C18 | C17 | H17 | 167.8° | 30.0° |
C19 | C18 | C17 | H17A | 72.2° | 149.9° |
C18 | C19 | C20 | H20 | 179.7° | 180.0° |
C19 | C18 | C23 | H23 | 178.8° | 179.7° |
C23 | C18 | C19 | C20 | 1.2° | 0.3° |
C18 | C23 | N22 | C21 | 0.2° | 0.6° |
C18 | C23 | N22 | H23 | 180.0° | 179.7° |
C23 | C18 | C17 | H17 | 12.0° | 149.7° |
C23 | C18 | C17 | H17A | 107.9° | 29.8° |
C23 | C18 | C19 | H19 | 178.8° | 179.8° |
C19 | C20 | C21 | H20 | 180.0° | 179.9° |
C19 | C20 | C21 | N22 | 0.7° | 0.1° |
C19 | C20 | C21 | H21 | 179.3° | 180.0° |
C20 | C21 | N22 | H21 | 180.0° | 179.9° |
C20 | C21 | N22 | C23 | 0.7° | 0.3° |
C21 | C20 | C19 | H19 | 179.7° | 180.0° |
N22 | C21 | C20 | H20 | 179.3° | 180.0° |
C21 | N22 | C23 | H23 | 179.8° | 179.7° |
C23 | N22 | C21 | H21 | 179.3° | 179.7° |
C24 | C25 | C26 | C33 | 179.9° | 179.7° |
C24 | C25 | C26 | N27 | 179.9° | 180.0° |
C24 | C25 | C33 | C28 | 179.9° | 179.9° |
C24 | C25 | C33 | C32 | 0.1° | 0.7° |
C25 | C24 | C09 | H09 | 9.0° | 54.9° |
C25 | C24 | H24 | H24A | 120.3° | 120.0° |
C24 | C25 | C26 | H26 | 0.2° | 0.2° |
C25 | C26 | N27 | H26 | 180.0° | 179.9° |
C25 | C26 | N27 | C28 | 0.2° | 0.0° |
C26 | C25 | C33 | C28 | 0.2° | 0.4° |
C26 | C25 | C33 | C32 | 179.8° | 179.6° |
C26 | C25 | C24 | H24 | 9.2° | 145.0° |
C26 | C25 | C24 | H24A | 129.4° | 25.1° |
C25 | C26 | N27 | HN27 | 179.8° | 180.0° |
C33 | C25 | C26 | N27 | 0.3° | 0.3° |
C25 | C33 | C28 | N27 | 0.1° | 0.4° |
C25 | C33 | C28 | C29 | 179.9° | 179.8° |
C25 | C33 | C28 | C32 | 180.0° | 179.3° |
C25 | C33 | C32 | C31 | 179.9° | 179.6° |
C33 | C25 | C24 | H24 | 170.7° | 35.3° |
C33 | C25 | C24 | H24A | 50.4° | 155.3° |
C33 | C25 | C26 | H26 | 179.7° | 179.8° |
C25 | C33 | C32 | H32 | 0.1° | 0.6° |
C26 | N27 | C28 | HN27 | 180.0° | 180.0° |
C26 | N27 | C28 | C29 | 179.7° | 180.0° |
C26 | N27 | C28 | C33 | 0.1° | 0.2° |
N27 | C28 | C29 | C33 | 179.7° | 179.7° |
N27 | C28 | C29 | C30 | 180.0° | 179.9° |
N27 | C28 | C33 | C32 | 179.9° | 179.7° |
C28 | N27 | C26 | H26 | 179.7° | 179.9° |
N27 | C28 | C29 | H29 | 0.0° | 0.1° |
C28 | C29 | C30 | H29 | 180.0° | 180.0° |
C28 | C29 | C30 | C31 | 0.2° | 0.0° |
C29 | C28 | C33 | C32 | 0.1° | 0.5° |
C29 | C28 | N27 | HN27 | 0.3° | 0.0° |
C28 | C29 | C30 | H30 | 179.8° | 180.0° |
C33 | C28 | C29 | C30 | 0.3° | 0.2° |
C28 | C33 | C32 | C31 | 0.1° | 0.5° |
C33 | C28 | N27 | HN27 | 180.0° | 179.8° |
C33 | C28 | C29 | H29 | 179.7° | 179.8° |
C28 | C33 | C32 | H32 | 179.9° | 179.7° |
C29 | C30 | C31 | H30 | 180.0° | 180.0° |
C29 | C30 | C31 | C32 | 0.0° | 0.0° |
C29 | C30 | C31 | H31 | 180.0° | 180.0° |
C30 | C31 | C32 | H31 | 180.0° | 180.0° |
C30 | C31 | C32 | C33 | 0.2° | 0.3° |
C31 | C30 | C29 | H29 | 179.7° | 180.0° |
C30 | C31 | C32 | H32 | 179.8° | 179.9° |
C31 | C32 | C33 | H32 | 180.0° | 179.8° |
C32 | C31 | C30 | H30 | 180.0° | 180.0° |
C33 | C32 | C31 | H31 | 179.8° | 179.7° |
H01 | C01 | H01A | H01B | 120.0° | 120.0° |
H03 | C03 | H03A | H03B | 120.0° | 120.0° |
H04 | C04 | H04A | H04B | 120.0° | 119.9° |
HN08 | N08 | C09 | H09 | 89.8° | 0.0° |
H09 | C09 | C10 | H10 | 75.3° | 65.0° |
H09 | C09 | C10 | H10A | 44.3° | 175.0° |
H09 | C09 | C24 | H24 | 128.9° | 175.1° |
H09 | C09 | C24 | H24A | 110.9° | 65.0° |
H12 | C12 | C13 | H13 | 128.5° | 180.0° |
H12 | C12 | C13 | H13A | 111.4° | 60.0° |
H12A | C12 | C13 | H13 | 8.7° | 60.0° |
H12A | C12 | C13 | H13A | 128.8° | 180.0° |
HN16 | N16 | C17 | H17 | 86.1° | 120.0° |
HN16 | N16 | C17 | H17A | 154.0° | 120.0° |
H19 | C19 | C20 | H20 | 0.3° | 0.1° |
H20 | C20 | C21 | H21 | 0.7° | 0.0° |
H26 | C26 | N27 | HN27 | 0.2° | 0.1° |
H29 | C29 | C30 | H30 | 0.3° | 0.0° |
H30 | C30 | C31 | H31 | 0.0° | 0.0° |
H31 | C31 | C32 | H32 | 0.2° | 0.0° |