0ZE
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | O1 | doub | 1.21Å | 1.23Å | |
C1 | C2 | sing | 1.51Å | 1.53Å | |
C1 | N | sing | 1.35Å | 1.36Å | |
C2 | C3 | sing | 1.54Å | 1.55Å | |
C2 | N1 | sing | 1.47Å | 1.48Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C3 | C4 | sing | 1.55Å | 1.56Å | |
C3 | H31 | sing | 1.09Å | 1.10Å | |
C3 | H32 | sing | 1.09Å | 1.10Å | |
C4 | C5 | sing | 1.55Å | 1.54Å | |
C4 | H41 | sing | 1.09Å | 1.10Å | |
C4 | H42 | sing | 1.09Å | 1.10Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C5 | N1 | sing | 1.48Å | 1.49Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | C7 | sing | 1.53Å | 1.52Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
C7 | C8 | sing | 1.52Å | 1.54Å | |
C7 | H71 | sing | 1.09Å | 1.10Å | |
C7 | H72 | sing | 1.09Å | 1.10Å | |
C8 | C9 | sing | 1.50Å | 1.56Å | |
C8 | N2 | sing | 1.47Å | 1.47Å | |
C8 | C10 | sing | 1.53Å | 1.55Å | |
C9 | O2 | doub | 1.21Å | 1.22Å | |
C9 | N1 | sing | 1.34Å | 1.35Å | |
N2 | HN21 | sing | 1.01Å | 1.00Å | |
N2 | HN22 | sing | 1.01Å | 1.00Å | |
C10 | C11 | sing | 1.51Å | 1.53Å | |
C10 | H101 | sing | 1.09Å | 1.10Å | |
C10 | H102 | sing | 1.09Å | 1.10Å | |
C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
C11 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
C12 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
C12 | H12 | sing | 1.08Å | 1.08Å | |
C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
C13 | H13 | sing | 1.08Å | 1.08Å | |
C14 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
C14 | H14 | sing | 1.08Å | 1.08Å | |
C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
C15 | H15 | sing | 1.08Å | 1.08Å | |
C16 | H16 | sing | 1.08Å | 1.08Å | |
N | CA | sing | 1.47Å | 1.49Å | |
N | H | sing | 0.97Å | 1.00Å | |
CA | C | sing | 1.53Å | 1.55Å | |
CA | CB | sing | 1.53Å | 1.57Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
C | O | sing | 1.43Å | 1.26Å | |
C | C17 | sing | 1.51Å | 1.56Å | |
CB | CG | sing | 1.53Å | 1.55Å | |
CB | HB2 | sing | 1.09Å | 1.10Å | |
CB | HB3 | sing | 1.09Å | 1.10Å | |
CG | CD | sing | 1.53Å | 1.45Å | |
CG | HG2 | sing | 1.09Å | 1.10Å | |
CG | HG3 | sing | 1.09Å | 1.10Å | |
CD | NE | sing | 1.47Å | 1.47Å | |
CD | HD2 | sing | 1.09Å | 1.10Å | |
CD | HD3 | sing | 1.09Å | 1.10Å | |
NE | CZ | sing | 1.37Å | 1.33Å | |
NE | HE | sing | 0.97Å | 1.00Å | |
CZ | NH1 | sing | 1.33Å | 1.35Å | |
CZ | NH2 | doub | 1.33Å | 1.34Å | |
NH1 | HH11 | sing | 0.97Å | 1.00Å | |
NH1 | HH12 | sing | 0.97Å | 1.00Å | |
NH2 | HH21 | sing | 0.97Å | 1.00Å | |
NH2 | HH22 | sing | 0.97Å | 1.00Å | |
C17 | N11 | doub | 1.28Å | 1.25Å | Aromatic |
C17 | S1 | sing | 1.71Å | 1.80Å | Aromatic |
N11 | C21 | sing | 1.35Å | 1.39Å | Aromatic |
C21 | C31 | doub | 1.41Å | 1.41Å | Aromatic |
C21 | C71 | sing | 1.40Å | 1.36Å | Aromatic |
C31 | C41 | sing | 1.36Å | 1.42Å | Aromatic |
C31 | H3 | sing | 1.08Å | 1.08Å | |
C41 | C51 | doub | 1.39Å | 1.40Å | Aromatic |
C41 | H4 | sing | 1.08Å | 1.08Å | |
C51 | C61 | sing | 1.38Å | 1.42Å | Aromatic |
C51 | H51 | sing | 1.08Å | 1.08Å | |
C61 | C71 | doub | 1.39Å | 1.40Å | Aromatic |
C61 | H6 | sing | 1.08Å | 1.08Å | |
C71 | S1 | sing | 1.76Å | 1.70Å | Aromatic |
C | H37 | sing | 1.09Å | 1.10Å | |
O | H38 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | C2 | 120.2° | 120.0° |
O1 | C1 | N | 122.1° | 120.0° |
C2 | C1 | N | 117.7° | 120.0° |
C1 | C2 | C3 | 114.0° | 109.9° |
C1 | C2 | N1 | 112.5° | 109.9° |
C1 | C2 | H2 | 102.1° | 109.9° |
C1 | N | CA | 117.8° | 120.0° |
C1 | N | H | 121.1° | 120.0° |
C3 | C2 | N1 | 101.7° | 107.3° |
C3 | C2 | H2 | 112.8° | 109.9° |
C2 | C3 | C4 | 104.7° | 103.1° |
C2 | C3 | H31 | 111.1° | 110.7° |
C2 | C3 | H32 | 111.1° | 110.7° |
N1 | C2 | H2 | 114.3° | 110.0° |
C2 | N1 | C5 | 114.2° | 108.3° |
C2 | N1 | C9 | 122.5° | 127.6° |
C4 | C3 | H31 | 111.1° | 110.7° |
C4 | C3 | H32 | 111.1° | 110.7° |
C3 | C4 | C5 | 102.1° | 101.2° |
C3 | C4 | H41 | 112.0° | 111.1° |
C3 | C4 | H42 | 112.0° | 111.1° |
H31 | C3 | H32 | 107.8° | 110.8° |
C5 | C4 | H41 | 112.0° | 111.1° |
C5 | C4 | H42 | 112.0° | 111.1° |
C4 | C5 | C6 | 116.8° | 110.1° |
C4 | C5 | N1 | 99.1° | 104.2° |
C4 | C5 | H5 | 113.9° | 111.5° |
H41 | C4 | H42 | 106.8° | 111.0° |
C6 | C5 | N1 | 115.1° | 106.9° |
C6 | C5 | H5 | 97.4° | 111.4° |
C5 | C6 | C7 | 114.6° | 108.4° |
C5 | C6 | H61 | 107.8° | 109.7° |
C5 | C6 | H62 | 107.8° | 109.7° |
N1 | C5 | H5 | 115.7° | 112.3° |
C5 | N1 | C9 | 123.2° | 124.1° |
C7 | C6 | H61 | 107.8° | 109.7° |
C7 | C6 | H62 | 107.8° | 109.6° |
C6 | C7 | C8 | 116.1° | 112.0° |
C6 | C7 | H71 | 107.3° | 109.0° |
C6 | C7 | H72 | 107.3° | 109.0° |
H61 | C6 | H62 | 111.1° | 109.7° |
C8 | C7 | H71 | 107.3° | 109.0° |
C8 | C7 | H72 | 107.4° | 109.0° |
C7 | C8 | C9 | 117.1° | 113.3° |
C7 | C8 | N2 | 110.3° | 108.7° |
C7 | C8 | C10 | 108.3° | 108.7° |
H71 | C7 | H72 | 111.5° | 108.9° |
C9 | C8 | N2 | 111.5° | 108.7° |
C9 | C8 | C10 | 101.5° | 108.8° |
C8 | C9 | O2 | 117.6° | 118.8° |
C8 | C9 | N1 | 120.8° | 122.3° |
N2 | C8 | C10 | 107.5° | 108.6° |
C8 | N2 | HN21 | 109.5° | 111.0° |
C8 | N2 | HN22 | 109.4° | 111.0° |
C8 | C10 | C11 | 107.5° | 109.5° |
C8 | C10 | H101 | 110.2° | 109.4° |
C8 | C10 | H102 | 110.1° | 109.5° |
O2 | C9 | N1 | 120.8° | 118.9° |
HN21 | N2 | HN22 | 109.5° | 110.9° |
C11 | C10 | H101 | 110.1° | 109.5° |
C11 | C10 | H102 | 110.1° | 109.5° |
C10 | C11 | C12 | 120.8° | 120.0° |
C10 | C11 | C16 | 119.2° | 120.0° |
H101 | C10 | H102 | 108.8° | 109.5° |
C12 | C11 | C16 | 120.1° | 120.0° |
C11 | C12 | C13 | 120.0° | 120.0° |
C11 | C12 | H12 | 120.0° | 119.9° |
C11 | C16 | C15 | 120.4° | 120.0° |
C11 | C16 | H16 | 119.8° | 120.0° |
C13 | C12 | H12 | 120.0° | 120.1° |
C12 | C13 | C14 | 119.8° | 120.0° |
C12 | C13 | H13 | 120.1° | 120.0° |
C14 | C13 | H13 | 120.1° | 120.0° |
C13 | C14 | C15 | 120.4° | 120.0° |
C13 | C14 | H14 | 119.8° | 120.0° |
C15 | C14 | H14 | 119.8° | 120.0° |
C14 | C15 | C16 | 119.3° | 120.0° |
C14 | C15 | H15 | 120.4° | 120.0° |
C16 | C15 | H15 | 120.4° | 120.0° |
C15 | C16 | H16 | 119.8° | 120.0° |
CA | N | H | 121.1° | 120.0° |
N | CA | C | 105.1° | 109.5° |
N | CA | CB | 109.7° | 109.5° |
N | CA | HA | 111.3° | 109.5° |
C | CA | CB | 106.8° | 109.5° |
C | CA | HA | 114.0° | 109.5° |
CA | C | O | 117.2° | 109.5° |
CA | C | C17 | 118.6° | 109.5° |
CA | C | H37 | 96.3° | 109.5° |
CB | CA | HA | 109.8° | 109.5° |
CA | CB | CG | 103.8° | 109.5° |
CA | CB | HB2 | 111.4° | 109.5° |
CA | CB | HB3 | 111.4° | 109.5° |
O | C | C17 | 113.3° | 109.4° |
O | C | H37 | 104.8° | 109.5° |
C | O | H38 | 109.5° | 114.0° |
C | C17 | N11 | 130.4° | 124.2° |
C | C17 | S1 | 116.4° | 124.2° |
C17 | C | H37 | 102.5° | 109.5° |
CG | CB | HB2 | 111.4° | 109.4° |
CG | CB | HB3 | 111.4° | 109.4° |
CB | CG | CD | 114.0° | 109.5° |
CB | CG | HG2 | 108.0° | 109.4° |
CB | CG | HG3 | 108.0° | 109.4° |
HB2 | CB | HB3 | 107.5° | 109.5° |
CD | CG | HG2 | 108.0° | 109.4° |
CD | CG | HG3 | 108.0° | 109.5° |
CG | CD | NE | 109.1° | 109.4° |
CG | CD | HD2 | 109.6° | 109.5° |
CG | CD | HD3 | 109.6° | 109.5° |
HG2 | CG | HG3 | 110.9° | 109.5° |
NE | CD | HD2 | 109.6° | 109.4° |
NE | CD | HD3 | 109.6° | 109.5° |
CD | NE | CZ | 117.3° | 120.0° |
CD | NE | HE | 121.4° | 120.0° |
HD2 | CD | HD3 | 109.3° | 109.5° |
CZ | NE | HE | 121.4° | 120.1° |
NE | CZ | NH1 | 114.8° | 120.0° |
NE | CZ | NH2 | 122.9° | 119.9° |
NH1 | CZ | NH2 | 122.3° | 120.0° |
CZ | NH1 | HH11 | 120.0° | 120.0° |
CZ | NH1 | HH12 | 120.0° | 120.0° |
CZ | NH2 | HH21 | 120.0° | 120.1° |
CZ | NH2 | HH22 | 120.0° | 120.0° |
HH11 | NH1 | HH12 | 120.0° | 120.0° |
HH21 | NH2 | HH22 | 120.0° | 120.0° |
N11 | C17 | S1 | 113.2° | 111.6° |
C17 | N11 | C21 | 113.3° | 117.8° |
C17 | S1 | C71 | 88.4° | 90.8° |
N11 | C21 | C31 | 126.9° | 129.7° |
N11 | C21 | C71 | 114.2° | 111.8° |
C31 | C21 | C71 | 118.8° | 118.5° |
C21 | C31 | C41 | 119.6° | 120.4° |
C21 | C31 | H3 | 120.2° | 119.7° |
C21 | C71 | C61 | 123.6° | 120.3° |
C21 | C71 | S1 | 110.8° | 108.0° |
C41 | C31 | H3 | 120.2° | 119.9° |
C31 | C41 | C51 | 120.1° | 120.9° |
C31 | C41 | H4 | 119.9° | 119.5° |
C51 | C41 | H4 | 119.9° | 119.6° |
C41 | C51 | C61 | 119.9° | 120.0° |
C41 | C51 | H51 | 120.1° | 120.0° |
C61 | C51 | H51 | 120.1° | 120.0° |
C51 | C61 | C71 | 117.9° | 120.0° |
C51 | C61 | H6 | 121.1° | 120.0° |
C71 | C61 | H6 | 121.1° | 120.0° |
C61 | C71 | S1 | 125.6° | 131.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | C2 | N | 179.9° | 179.7° |
O1 | C1 | C2 | C3 | 71.4° | 102.7° |
O1 | C1 | C2 | N1 | 43.7° | 139.5° |
O1 | C1 | C2 | H2 | 166.7° | 18.4° |
O1 | C1 | N | CA | 2.4° | 5.3° |
O1 | C1 | N | H | 177.6° | 174.7° |
C1 | C2 | C3 | N1 | 121.3° | 119.4° |
C1 | C2 | C3 | H2 | 115.8° | 121.0° |
C1 | C2 | N1 | H2 | 115.8° | 121.1° |
C1 | C2 | C3 | C4 | 100.3° | 99.5° |
C1 | C2 | C3 | H31 | 19.7° | 18.9° |
C1 | C2 | C3 | H32 | 139.7° | 142.1° |
C1 | C2 | N1 | C5 | 128.2° | 124.4° |
C1 | C2 | N1 | C9 | 54.5° | 54.2° |
C2 | C1 | N | CA | 177.6° | 174.9° |
C2 | C1 | N | H | 2.5° | 5.0° |
N | C1 | C2 | C3 | 108.6° | 77.6° |
N | C1 | C2 | N1 | 136.3° | 40.2° |
N | C1 | C2 | H2 | 13.3° | 161.4° |
C1 | N | CA | H | 180.0° | 180.0° |
C1 | N | CA | C | 102.7° | 151.8° |
C1 | N | CA | CB | 142.8° | 88.2° |
C1 | N | CA | HA | 21.1° | 31.8° |
C3 | C2 | N1 | H2 | 121.8° | 119.5° |
C2 | C3 | C4 | H31 | 120.0° | 118.4° |
C2 | C3 | C4 | H32 | 120.0° | 118.4° |
C2 | C3 | H31 | H32 | 121.9° | 123.2° |
C2 | C3 | C4 | C5 | 39.5° | 35.6° |
C2 | C3 | C4 | H41 | 80.5° | 82.4° |
C2 | C3 | C4 | H42 | 159.5° | 153.5° |
C3 | C2 | N1 | C5 | 5.8° | 5.0° |
C3 | C2 | N1 | C9 | 176.9° | 173.6° |
N1 | C2 | C3 | C4 | 21.0° | 19.9° |
N1 | C2 | C3 | H31 | 141.0° | 138.2° |
N1 | C2 | C3 | H32 | 99.0° | 98.5° |
C2 | N1 | C5 | C4 | 29.9° | 28.1° |
C2 | N1 | C5 | C6 | 155.2° | 144.8° |
C2 | N1 | C5 | C9 | 177.3° | 178.7° |
C2 | N1 | C5 | H5 | 92.3° | 92.7° |
C2 | N1 | C9 | C8 | 175.1° | 171.9° |
C2 | N1 | C9 | O2 | 6.0° | 8.0° |
H2 | C2 | C3 | C4 | 143.9° | 139.4° |
H2 | C2 | C3 | H31 | 96.1° | 102.2° |
H2 | C2 | C3 | H32 | 23.9° | 21.0° |
H2 | C2 | N1 | C5 | 116.0° | 114.5° |
H2 | C2 | N1 | C9 | 61.3° | 66.9° |
C4 | C3 | H31 | H32 | 122.0° | 123.1° |
C3 | C4 | C5 | H41 | 120.0° | 118.0° |
C3 | C4 | C5 | H42 | 120.0° | 118.0° |
C3 | C4 | H41 | H42 | 123.0° | 124.1° |
C3 | C4 | C5 | C6 | 164.6° | 153.7° |
C3 | C4 | C5 | N1 | 40.5° | 39.3° |
C3 | C4 | C5 | H5 | 82.9° | 82.1° |
H31 | C3 | C4 | C5 | 159.5° | 154.0° |
H31 | C3 | C4 | H41 | 39.5° | 36.0° |
H31 | C3 | C4 | H42 | 80.5° | 88.1° |
H32 | C3 | C4 | C5 | 80.5° | 82.8° |
H32 | C3 | C4 | H41 | 159.5° | 159.2° |
H32 | C3 | C4 | H42 | 39.5° | 35.1° |
C5 | C4 | H41 | H42 | 123.0° | 124.1° |
C4 | C5 | C6 | N1 | 115.5° | 112.7° |
C4 | C5 | C6 | H5 | 121.6° | 124.3° |
C4 | C5 | N1 | H5 | 122.1° | 120.8° |
C4 | C5 | C6 | C7 | 157.1° | 172.1° |
C4 | C5 | C6 | H61 | 37.1° | 52.4° |
C4 | C5 | C6 | H62 | 82.9° | 68.2° |
C4 | C5 | N1 | C9 | 152.8° | 150.5° |
H41 | C4 | C5 | C6 | 44.6° | 35.8° |
H41 | C4 | C5 | N1 | 79.6° | 78.6° |
H41 | C4 | C5 | H5 | 157.1° | 160.0° |
H42 | C4 | C5 | C6 | 75.4° | 88.3° |
H42 | C4 | C5 | N1 | 160.4° | 157.3° |
H42 | C4 | C5 | H5 | 37.0° | 35.9° |
C6 | C5 | N1 | H5 | 112.5° | 122.5° |
C5 | C6 | C7 | H61 | 120.0° | 119.8° |
C5 | C6 | C7 | H62 | 120.0° | 119.7° |
C5 | C6 | H61 | H62 | 117.9° | 120.5° |
C5 | C6 | C7 | C8 | 37.2° | 62.0° |
C5 | C6 | C7 | H71 | 157.2° | 177.3° |
C5 | C6 | C7 | H72 | 82.8° | 58.7° |
C6 | C5 | N1 | C9 | 27.5° | 33.9° |
N1 | C5 | C6 | C7 | 41.6° | 59.5° |
N1 | C5 | C6 | H61 | 78.4° | 60.3° |
N1 | C5 | C6 | H62 | 161.6° | 179.1° |
C5 | N1 | C9 | C8 | 7.8° | 6.5° |
C5 | N1 | C9 | O2 | 176.9° | 173.6° |
H5 | C5 | C6 | C7 | 81.3° | 63.6° |
H5 | C5 | C6 | H61 | 158.7° | 176.6° |
H5 | C5 | C6 | H62 | 38.7° | 56.1° |
H5 | C5 | N1 | C9 | 85.0° | 88.6° |
C7 | C6 | H61 | H62 | 117.9° | 120.5° |
C6 | C7 | C8 | H71 | 120.0° | 120.6° |
C6 | C7 | C8 | H72 | 120.0° | 120.7° |
C6 | C7 | H71 | H72 | 117.3° | 118.8° |
C6 | C7 | C8 | C9 | 18.1° | 33.3° |
C6 | C7 | C8 | N2 | 146.9° | 154.2° |
C6 | C7 | C8 | C10 | 95.8° | 87.8° |
H61 | C6 | C7 | C8 | 82.8° | 57.7° |
H61 | C6 | C7 | H71 | 37.2° | 62.9° |
H61 | C6 | C7 | H72 | 157.2° | 178.4° |
H62 | C6 | C7 | C8 | 157.2° | 178.3° |
H62 | C6 | C7 | H71 | 82.8° | 57.6° |
H62 | C6 | C7 | H72 | 37.2° | 61.0° |
C8 | C7 | H71 | H72 | 117.3° | 118.8° |
C7 | C8 | C9 | N2 | 128.3° | 120.9° |
C7 | C8 | C9 | C10 | 117.6° | 121.0° |
C7 | C8 | N2 | C10 | 117.8° | 118.1° |
C7 | C8 | C9 | O2 | 172.2° | 174.8° |
C7 | C8 | C9 | N1 | 2.7° | 5.3° |
C7 | C8 | N2 | HN21 | 180.0° | 180.0° |
C7 | C8 | N2 | HN22 | 60.0° | 56.1° |
C7 | C8 | C10 | C11 | 49.8° | 173.3° |
C7 | C8 | C10 | H101 | 169.8° | 66.7° |
C7 | C8 | C10 | H102 | 70.2° | 53.2° |
H71 | C7 | C8 | C9 | 138.1° | 153.9° |
H71 | C7 | C8 | N2 | 93.1° | 85.2° |
H71 | C7 | C8 | C10 | 24.2° | 32.9° |
H72 | C7 | C8 | C9 | 102.0° | 87.4° |
H72 | C7 | C8 | N2 | 26.9° | 33.5° |
H72 | C7 | C8 | C10 | 144.2° | 151.6° |
C9 | C8 | N2 | C10 | 110.4° | 118.2° |
C8 | C9 | O2 | N1 | 169.4° | 179.9° |
C9 | C8 | N2 | HN21 | 48.2° | 56.3° |
C9 | C8 | N2 | HN22 | 168.2° | 179.8° |
C9 | C8 | C10 | C11 | 173.6° | 62.9° |
C9 | C8 | C10 | H101 | 66.4° | 57.0° |
C9 | C8 | C10 | H102 | 53.6° | 177.0° |
N2 | C8 | C9 | O2 | 59.6° | 53.9° |
N2 | C8 | C9 | N1 | 131.0° | 126.2° |
C8 | N2 | HN21 | HN22 | 120.0° | 123.9° |
N2 | C8 | C10 | C11 | 69.3° | 55.2° |
N2 | C8 | C10 | H101 | 50.7° | 175.1° |
N2 | C8 | C10 | H102 | 170.7° | 64.9° |
C10 | C8 | C9 | O2 | 54.6° | 64.1° |
C10 | C8 | C9 | N1 | 114.9° | 115.7° |
C10 | C8 | N2 | HN21 | 62.2° | 61.8° |
C10 | C8 | N2 | HN22 | 57.8° | 62.1° |
C8 | C10 | C11 | H101 | 120.0° | 120.0° |
C8 | C10 | C11 | H102 | 120.0° | 120.0° |
C8 | C10 | H101 | H102 | 120.8° | 120.0° |
C8 | C10 | C11 | C12 | 75.6° | 98.3° |
C8 | C10 | C11 | C16 | 106.0° | 81.9° |
C11 | C10 | H101 | H102 | 120.8° | 120.0° |
C10 | C11 | C12 | C16 | 178.3° | 179.8° |
C10 | C11 | C12 | C13 | 178.7° | 180.0° |
C10 | C11 | C12 | H12 | 1.4° | 0.0° |
C10 | C11 | C16 | C15 | 178.4° | 179.8° |
C10 | C11 | C16 | H16 | 1.6° | 0.1° |
H101 | C10 | C11 | C12 | 164.4° | 21.6° |
H101 | C10 | C11 | C16 | 14.0° | 158.2° |
H102 | C10 | C11 | C12 | 44.4° | 141.6° |
H102 | C10 | C11 | C16 | 134.0° | 38.2° |
C11 | C12 | C13 | H12 | 180.0° | 180.0° |
C11 | C12 | C13 | C14 | 0.9° | 0.0° |
C11 | C12 | C13 | H13 | 179.1° | 180.0° |
C12 | C11 | C16 | C15 | 3.2° | 0.4° |
C12 | C11 | C16 | H16 | 176.8° | 179.7° |
C16 | C11 | C12 | C13 | 3.0° | 0.2° |
C16 | C11 | C12 | H12 | 177.0° | 179.8° |
C11 | C16 | C15 | C14 | 1.3° | 0.3° |
C11 | C16 | C15 | H16 | 180.0° | 179.9° |
C11 | C16 | C15 | H15 | 178.7° | 179.8° |
C12 | C13 | C14 | H13 | 180.0° | 180.0° |
C12 | C13 | C14 | C15 | 1.0° | 0.0° |
C12 | C13 | C14 | H14 | 179.0° | 180.0° |
H12 | C12 | C13 | C14 | 179.1° | 180.0° |
H12 | C12 | C13 | H13 | 0.9° | 0.0° |
C13 | C14 | C15 | H14 | 180.0° | 180.0° |
C13 | C14 | C15 | C16 | 0.8° | 0.1° |
C13 | C14 | C15 | H15 | 179.2° | 180.0° |
H13 | C13 | C14 | C15 | 179.0° | 180.0° |
H13 | C13 | C14 | H14 | 1.0° | 0.0° |
C14 | C15 | C16 | H15 | 180.0° | 179.9° |
C14 | C15 | C16 | H16 | 178.7° | 179.7° |
H14 | C14 | C15 | C16 | 179.2° | 179.9° |
H14 | C14 | C15 | H15 | 0.8° | 0.0° |
H15 | C15 | C16 | H16 | 1.3° | 0.1° |
N | CA | C | CB | 116.5° | 120.0° |
N | CA | C | HA | 122.1° | 120.0° |
N | CA | CB | HA | 122.6° | 120.0° |
N | CA | C | O | 158.1° | 65.0° |
N | CA | C | C17 | 60.1° | 175.0° |
N | CA | CB | CG | 72.3° | 66.7° |
N | CA | CB | HB2 | 47.7° | 53.3° |
N | CA | CB | HB3 | 167.7° | 173.4° |
N | CA | C | H37 | 47.9° | 55.0° |
H | N | CA | C | 77.3° | 28.2° |
H | N | CA | CB | 37.2° | 91.8° |
H | N | CA | HA | 158.8° | 148.2° |
C | CA | CB | HA | 124.0° | 120.0° |
CA | C | O | C17 | 143.8° | 120.0° |
CA | C | O | H37 | 105.2° | 120.0° |
CA | C | C17 | H37 | 104.4° | 120.0° |
C | CA | CB | CG | 174.3° | 173.3° |
C | CA | CB | HB2 | 65.7° | 66.7° |
C | CA | CB | HB3 | 54.3° | 53.4° |
CA | C | C17 | N11 | 96.6° | 105.0° |
CA | C | C17 | S1 | 84.0° | 74.7° |
CA | C | O | H38 | 180.0° | 60.0° |
CB | CA | C | O | 41.6° | 55.0° |
CB | CA | C | C17 | 176.6° | 65.0° |
CA | CB | CG | HB2 | 120.0° | 120.0° |
CA | CB | CG | HB3 | 120.0° | 120.0° |
CA | CB | HB2 | HB3 | 122.3° | 120.1° |
CA | CB | CG | CD | 177.5° | 174.1° |
CA | CB | CG | HG2 | 57.5° | 54.2° |
CA | CB | CG | HG3 | 62.5° | 65.8° |
CB | CA | C | H37 | 68.6° | 175.0° |
HA | CA | C | O | 79.8° | 175.0° |
HA | CA | C | C17 | 62.0° | 55.0° |
HA | CA | CB | CG | 50.3° | 53.3° |
HA | CA | CB | HB2 | 170.3° | 173.3° |
HA | CA | CB | HB3 | 69.7° | 66.6° |
HA | CA | C | H37 | 170.0° | 65.0° |
O | C | C17 | H37 | 112.3° | 120.0° |
O | C | C17 | N11 | 120.2° | 135.1° |
O | C | C17 | S1 | 59.2° | 45.3° |
C | C17 | N11 | S1 | 179.4° | 179.7° |
C | C17 | N11 | C21 | 178.4° | 180.0° |
C | C17 | S1 | C71 | 179.1° | 180.0° |
C17 | C | O | H38 | 36.2° | 60.0° |
CG | CB | HB2 | HB3 | 122.3° | 119.9° |
CB | CG | CD | HG2 | 120.0° | 120.0° |
CB | CG | CD | HG3 | 120.0° | 120.0° |
CB | CG | HG2 | HG3 | 118.1° | 119.9° |
CB | CG | CD | NE | 166.0° | 175.1° |
CB | CG | CD | HD2 | 74.0° | 55.2° |
CB | CG | CD | HD3 | 46.0° | 64.8° |
HB2 | CB | CG | CD | 62.5° | 65.9° |
HB2 | CB | CG | HG2 | 177.5° | 174.2° |
HB2 | CB | CG | HG3 | 57.5° | 54.2° |
HB3 | CB | CG | CD | 57.5° | 54.1° |
HB3 | CB | CG | HG2 | 62.5° | 65.8° |
HB3 | CB | CG | HG3 | 177.5° | 174.2° |
CD | CG | HG2 | HG3 | 118.1° | 120.1° |
CG | CD | NE | HD2 | 120.0° | 119.9° |
CG | CD | NE | HD3 | 120.0° | 120.0° |
CG | CD | HD2 | HD3 | 120.1° | 120.1° |
CG | CD | NE | CZ | 174.2° | 175.6° |
CG | CD | NE | HE | 5.8° | 4.4° |
HG2 | CG | CD | NE | 46.0° | 64.9° |
HG2 | CG | CD | HD2 | 166.0° | 175.2° |
HG2 | CG | CD | HD3 | 74.0° | 55.1° |
HG3 | CG | CD | NE | 74.0° | 55.1° |
HG3 | CG | CD | HD2 | 46.0° | 64.8° |
HG3 | CG | CD | HD3 | 166.0° | 175.1° |
NE | CD | HD2 | HD3 | 120.2° | 120.0° |
CD | NE | CZ | HE | 180.0° | 179.9° |
CD | NE | CZ | NH1 | 24.3° | 5.1° |
CD | NE | CZ | NH2 | 154.4° | 174.9° |
HD2 | CD | NE | CZ | 65.8° | 64.5° |
HD2 | CD | NE | HE | 114.2° | 115.6° |
HD3 | CD | NE | CZ | 54.2° | 55.6° |
HD3 | CD | NE | HE | 125.8° | 124.4° |
NE | CZ | NH1 | NH2 | 178.8° | 180.0° |
NE | CZ | NH1 | HH11 | 178.8° | 0.1° |
NE | CZ | NH1 | HH12 | 1.2° | 180.0° |
NE | CZ | NH2 | HH21 | 178.7° | 5.1° |
NE | CZ | NH2 | HH22 | 1.3° | 175.0° |
HE | NE | CZ | NH1 | 155.7° | 174.8° |
HE | NE | CZ | NH2 | 25.6° | 5.1° |
CZ | NH1 | HH11 | HH12 | 180.0° | 179.9° |
NH1 | CZ | NH2 | HH21 | 0.0° | 175.0° |
NH1 | CZ | NH2 | HH22 | 180.0° | 5.0° |
NH2 | CZ | NH1 | HH11 | 0.0° | 180.0° |
NH2 | CZ | NH1 | HH12 | 180.0° | 0.1° |
CZ | NH2 | HH21 | HH22 | 180.0° | 179.9° |
C17 | N11 | C21 | C31 | 179.4° | 180.0° |
C17 | N11 | C21 | C71 | 2.0° | 0.0° |
N11 | C17 | S1 | C71 | 1.4° | 0.4° |
N11 | C17 | C | H37 | 7.8° | 15.1° |
S1 | C17 | N11 | C21 | 2.1° | 0.3° |
C17 | S1 | C71 | C21 | 0.2° | 0.3° |
C17 | S1 | C71 | C61 | 179.7° | 180.0° |
S1 | C17 | C | H37 | 171.6° | 165.3° |
N11 | C21 | C31 | C71 | 177.2° | 180.0° |
N11 | C21 | C31 | C41 | 177.9° | 180.0° |
N11 | C21 | C31 | H3 | 2.2° | 0.1° |
N11 | C21 | C71 | C61 | 178.6° | 179.9° |
N11 | C21 | C71 | S1 | 0.9° | 0.2° |
C21 | C31 | C41 | H3 | 180.0° | 180.0° |
C21 | C31 | C41 | C51 | 0.7° | 0.0° |
C21 | C31 | C41 | H4 | 179.3° | 180.0° |
C31 | C21 | C71 | C61 | 1.0° | 0.0° |
C31 | C21 | C71 | S1 | 178.5° | 179.7° |
C71 | C21 | C31 | C41 | 0.6° | 0.0° |
C71 | C21 | C31 | H3 | 179.4° | 180.0° |
C21 | C71 | C61 | C51 | 0.1° | 0.0° |
C21 | C71 | C61 | S1 | 179.4° | 179.6° |
C21 | C71 | C61 | H6 | 179.9° | 180.0° |
C31 | C41 | C51 | H4 | 180.0° | 180.0° |
C31 | C41 | C51 | C61 | 1.6° | 0.0° |
C31 | C41 | C51 | H51 | 178.4° | 180.0° |
H3 | C31 | C41 | C51 | 179.3° | 180.0° |
H3 | C31 | C41 | H4 | 0.7° | 0.0° |
C41 | C51 | C61 | H51 | 180.0° | 179.9° |
C41 | C51 | C61 | C71 | 1.2° | 0.0° |
C41 | C51 | C61 | H6 | 178.7° | 179.9° |
H4 | C41 | C51 | C61 | 178.4° | 180.0° |
H4 | C41 | C51 | H51 | 1.7° | 0.1° |
C51 | C61 | C71 | H6 | 180.0° | 179.9° |
C51 | C61 | C71 | S1 | 179.3° | 179.7° |
H51 | C51 | C61 | C71 | 178.7° | 179.9° |
H51 | C51 | C61 | H6 | 1.3° | 0.0° |
H6 | C61 | C71 | S1 | 0.6° | 0.4° |
H37 | C | O | H38 | 74.7° | 180.0° |