NLT
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
N | C1 | sing | 1.35Å | 1.34Å | |
N | CA | sing | 1.47Å | 1.46Å | |
N | HN | sing | 0.97Å | 1.00Å | |
C1 | OL | doub | 1.21Å | 1.23Å | |
C1 | C2 | sing | 1.51Å | 1.53Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C2 | H21 | sing | 1.09Å | 1.10Å | |
C2 | H22 | sing | 1.09Å | 1.10Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C3 | H31 | sing | 1.09Å | 1.10Å | |
C3 | H32 | sing | 1.09Å | 1.10Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C4 | H41 | sing | 1.09Å | 1.10Å | |
C4 | H42 | sing | 1.09Å | 1.10Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C5 | H51 | sing | 1.09Å | 1.10Å | |
C5 | H52 | sing | 1.09Å | 1.10Å | |
C6 | C7 | sing | 1.53Å | 1.54Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
C7 | C8 | sing | 1.53Å | 1.53Å | |
C7 | H71 | sing | 1.09Å | 1.10Å | |
C7 | H72 | sing | 1.09Å | 1.10Å | |
C8 | C9 | sing | 1.53Å | 1.53Å | |
C8 | H81 | sing | 1.09Å | 1.10Å | |
C8 | H82 | sing | 1.09Å | 1.10Å | |
C9 | C10 | sing | 1.53Å | 1.53Å | |
C9 | H91 | sing | 1.09Å | 1.10Å | |
C9 | H92 | sing | 1.09Å | 1.10Å | |
C10 | C11 | sing | 1.53Å | 1.53Å | |
C10 | H101 | sing | 1.09Å | 1.10Å | |
C10 | H102 | sing | 1.09Å | 1.10Å | |
C11 | C12 | sing | 1.53Å | 1.52Å | |
C11 | H111 | sing | 1.09Å | 1.10Å | |
C11 | H112 | sing | 1.09Å | 1.10Å | |
C12 | H121 | sing | 1.09Å | 1.10Å | |
C12 | H122 | sing | 1.09Å | 1.10Å | |
C12 | H123 | sing | 1.09Å | 1.10Å | |
CA | CB | sing | 1.53Å | 1.52Å | |
CA | C | sing | 1.51Å | 1.53Å | |
CA | HA | sing | 1.09Å | 1.10Å | |
CB | CG | sing | 1.51Å | 1.51Å | |
CB | HB1 | sing | 1.09Å | 1.10Å | |
CB | HB2 | sing | 1.09Å | 1.10Å | |
CG | CD2 | sing | 1.38Å | 1.40Å | Aromatic |
CG | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
CD2 | CE2 | doub | 1.38Å | 1.40Å | Aromatic |
CD2 | HD2 | sing | 1.08Å | 1.08Å | |
CE2 | CZ | sing | 1.39Å | 1.39Å | Aromatic |
CE2 | HE2 | sing | 1.08Å | 1.08Å | |
CZ | CE1 | doub | 1.39Å | 1.38Å | Aromatic |
CZ | OH | sing | 1.36Å | 1.32Å | |
CE1 | CD1 | sing | 1.38Å | 1.38Å | Aromatic |
CE1 | HE1 | sing | 1.08Å | 1.08Å | |
CD1 | HD1 | sing | 1.08Å | 1.08Å | |
OH | HOH | sing | 0.97Å | 0.95Å | |
C | O | sing | 1.34Å | 1.25Å | |
C | O2 | doub | 1.21Å | 1.26Å | |
O | HO | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | N | CA | 124.2° | 120.0° |
C1 | N | HN | 117.9° | 120.0° |
N | C1 | OL | 122.1° | 120.0° |
N | C1 | C2 | 116.1° | 120.0° |
CA | N | HN | 117.9° | 120.0° |
N | CA | CB | 108.6° | 109.5° |
N | CA | C | 113.4° | 109.5° |
N | CA | HA | 106.6° | 109.4° |
OL | C1 | C2 | 121.8° | 120.0° |
C1 | C2 | C3 | 112.0° | 109.5° |
C1 | C2 | H21 | 108.1° | 109.5° |
C1 | C2 | H22 | 108.6° | 109.5° |
C3 | C2 | H21 | 108.1° | 109.5° |
C3 | C2 | H22 | 108.6° | 109.5° |
C2 | C3 | C4 | 113.1° | 109.5° |
C2 | C3 | H31 | 107.5° | 109.5° |
C2 | C3 | H32 | 108.3° | 109.5° |
H21 | C2 | H22 | 111.5° | 109.5° |
C4 | C3 | H31 | 107.5° | 109.5° |
C4 | C3 | H32 | 108.3° | 109.5° |
C3 | C4 | C5 | 110.1° | 109.5° |
C3 | C4 | H41 | 109.1° | 109.5° |
C3 | C4 | H42 | 109.3° | 109.4° |
H31 | C3 | H32 | 112.3° | 109.5° |
C5 | C4 | H41 | 109.1° | 109.5° |
C5 | C4 | H42 | 109.3° | 109.5° |
C4 | C5 | C6 | 115.4° | 109.5° |
C4 | C5 | H51 | 106.2° | 109.4° |
C4 | C5 | H52 | 107.6° | 109.5° |
H41 | C4 | H42 | 109.9° | 109.4° |
C6 | C5 | H51 | 106.2° | 109.5° |
C6 | C5 | H52 | 107.5° | 109.5° |
C5 | C6 | C7 | 111.5° | 109.5° |
C5 | C6 | H61 | 108.4° | 109.5° |
C5 | C6 | H62 | 108.8° | 109.5° |
H51 | C5 | H52 | 114.2° | 109.4° |
C7 | C6 | H61 | 108.4° | 109.5° |
C7 | C6 | H62 | 108.8° | 109.5° |
C6 | C7 | C8 | 111.4° | 109.5° |
C6 | C7 | H71 | 108.4° | 109.5° |
C6 | C7 | H72 | 108.8° | 109.5° |
H61 | C6 | H62 | 111.0° | 109.5° |
C8 | C7 | H71 | 108.4° | 109.5° |
C8 | C7 | H72 | 108.8° | 109.4° |
C7 | C8 | C9 | 112.6° | 109.5° |
C7 | C8 | H81 | 107.8° | 109.5° |
C7 | C8 | H82 | 108.4° | 109.5° |
H71 | C7 | H72 | 111.0° | 109.4° |
C9 | C8 | H81 | 107.7° | 109.5° |
C9 | C8 | H82 | 108.5° | 109.5° |
C8 | C9 | C10 | 109.9° | 109.4° |
C8 | C9 | H91 | 109.2° | 109.4° |
C8 | C9 | H92 | 109.3° | 109.5° |
H81 | C8 | H82 | 111.9° | 109.5° |
C10 | C9 | H91 | 109.2° | 109.4° |
C10 | C9 | H92 | 109.3° | 109.5° |
C9 | C10 | C11 | 112.7° | 109.4° |
C9 | C10 | H101 | 107.7° | 109.4° |
C9 | C10 | H102 | 108.4° | 109.4° |
H91 | C9 | H92 | 109.8° | 109.5° |
C11 | C10 | H101 | 107.7° | 109.5° |
C11 | C10 | H102 | 108.4° | 109.5° |
C10 | C11 | C12 | 110.8° | 109.4° |
C10 | C11 | H111 | 108.7° | 109.5° |
C10 | C11 | H112 | 109.0° | 109.4° |
H101 | C10 | H102 | 112.0° | 109.6° |
C12 | C11 | H111 | 108.7° | 109.5° |
C12 | C11 | H112 | 109.0° | 109.4° |
C11 | C12 | H121 | 109.5° | 109.5° |
C11 | C12 | H122 | 109.5° | 109.4° |
C11 | C12 | H123 | 109.5° | 109.5° |
H111 | C11 | H112 | 110.5° | 109.5° |
H121 | C12 | H122 | 109.4° | 109.4° |
H121 | C12 | H123 | 109.5° | 109.5° |
H122 | C12 | H123 | 109.5° | 109.5° |
CB | CA | C | 106.9° | 109.5° |
CB | CA | HA | 113.2° | 109.5° |
CA | CB | CG | 113.8° | 109.4° |
CA | CB | HB1 | 107.1° | 109.5° |
CA | CB | HB2 | 108.0° | 109.4° |
C | CA | HA | 108.3° | 109.5° |
CA | C | O | 118.7° | 120.0° |
CA | C | O2 | 120.1° | 120.0° |
CG | CB | HB1 | 107.0° | 109.5° |
CG | CB | HB2 | 108.1° | 109.5° |
CB | CG | CD2 | 121.7° | 119.9° |
CB | CG | CD1 | 118.4° | 119.9° |
HB1 | CB | HB2 | 112.9° | 109.5° |
CD2 | CG | CD1 | 119.8° | 120.2° |
CG | CD2 | CE2 | 119.7° | 120.0° |
CG | CD2 | HD2 | 120.2° | 120.0° |
CG | CD1 | CE1 | 120.3° | 120.0° |
CG | CD1 | HD1 | 119.9° | 120.0° |
CE2 | CD2 | HD2 | 120.2° | 120.0° |
CD2 | CE2 | CZ | 119.8° | 120.0° |
CD2 | CE2 | HE2 | 120.1° | 120.0° |
CZ | CE2 | HE2 | 120.1° | 120.0° |
CE2 | CZ | CE1 | 120.2° | 119.9° |
CE2 | CZ | OH | 120.6° | 120.1° |
CE1 | CZ | OH | 119.2° | 120.0° |
CZ | CE1 | CD1 | 120.2° | 119.9° |
CZ | CE1 | HE1 | 119.9° | 120.0° |
CZ | OH | HOH | 109.5° | 106.8° |
CD1 | CE1 | HE1 | 119.9° | 120.1° |
CE1 | CD1 | HD1 | 119.8° | 120.0° |
O | C | O2 | 121.2° | 120.0° |
C | O | HO | 109.5° | 120.1° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C1 | N | CA | HN | 180.0° | 180.0° |
N | C1 | OL | C2 | 178.5° | 179.9° |
N | C1 | C2 | C3 | 159.9° | 180.0° |
N | C1 | C2 | H21 | 81.2° | 59.9° |
N | C1 | C2 | H22 | 39.9° | 60.0° |
C1 | N | CA | CB | 166.1° | 155.0° |
C1 | N | CA | C | 47.4° | 85.0° |
C1 | N | CA | HA | 71.7° | 35.0° |
CA | N | C1 | OL | 12.3° | 0.0° |
CA | N | C1 | C2 | 169.1° | 180.0° |
N | CA | CB | C | 122.7° | 120.0° |
N | CA | CB | HA | 118.1° | 120.0° |
N | CA | C | HA | 118.1° | 120.0° |
N | CA | CB | CG | 82.7° | 65.0° |
N | CA | CB | HB1 | 159.2° | 55.0° |
N | CA | CB | HB2 | 37.3° | 175.0° |
N | CA | C | O | 42.0° | 180.0° |
N | CA | C | O2 | 138.6° | 0.0° |
HN | N | C1 | OL | 167.7° | 180.0° |
HN | N | C1 | C2 | 10.9° | 0.0° |
HN | N | CA | CB | 14.0° | 25.0° |
HN | N | CA | C | 132.6° | 95.0° |
HN | N | CA | HA | 108.2° | 145.0° |
OL | C1 | C2 | C3 | 21.6° | 0.0° |
OL | C1 | C2 | H21 | 97.4° | 120.0° |
OL | C1 | C2 | H22 | 141.5° | 120.0° |
C1 | C2 | C3 | H21 | 118.9° | 120.0° |
C1 | C2 | C3 | H22 | 120.0° | 120.0° |
C1 | C2 | H21 | H22 | 119.3° | 120.0° |
C1 | C2 | C3 | C4 | 150.5° | 180.0° |
C1 | C2 | C3 | H31 | 91.0° | 60.0° |
C1 | C2 | C3 | H32 | 30.5° | 60.0° |
C3 | C2 | H21 | H22 | 119.3° | 120.0° |
C2 | C3 | C4 | H31 | 118.4° | 120.0° |
C2 | C3 | C4 | H32 | 120.0° | 120.0° |
C2 | C3 | H31 | H32 | 119.0° | 120.0° |
C2 | C3 | C4 | C5 | 168.3° | 180.0° |
C2 | C3 | C4 | H41 | 72.0° | 60.0° |
C2 | C3 | C4 | H42 | 48.2° | 60.0° |
H21 | C2 | C3 | C4 | 31.6° | 60.0° |
H21 | C2 | C3 | H31 | 150.1° | 180.0° |
H21 | C2 | C3 | H32 | 88.4° | 60.0° |
H22 | C2 | C3 | C4 | 89.5° | 60.0° |
H22 | C2 | C3 | H31 | 29.0° | 60.0° |
H22 | C2 | C3 | H32 | 150.5° | NaN° |
C4 | C3 | H31 | H32 | 119.0° | 120.0° |
C3 | C4 | C5 | H41 | 119.7° | 120.0° |
C3 | C4 | C5 | H42 | 120.0° | 120.0° |
C3 | C4 | H41 | H42 | 119.8° | 119.9° |
C3 | C4 | C5 | C6 | 179.5° | 180.0° |
C3 | C4 | C5 | H51 | 62.1° | 60.0° |
C3 | C4 | C5 | H52 | 60.6° | 60.0° |
H31 | C3 | C4 | C5 | 49.8° | 60.0° |
H31 | C3 | C4 | H41 | 169.6° | 180.0° |
H31 | C3 | C4 | H42 | 70.2° | 60.1° |
H32 | C3 | C4 | C5 | 71.7° | 60.0° |
H32 | C3 | C4 | H41 | 48.0° | 60.0° |
H32 | C3 | C4 | H42 | 168.3° | 180.0° |
C5 | C4 | H41 | H42 | 119.8° | 120.1° |
C4 | C5 | C6 | H51 | 117.3° | 120.0° |
C4 | C5 | C6 | H52 | 120.0° | 120.0° |
C4 | C5 | H51 | H52 | 118.4° | 120.0° |
C4 | C5 | C6 | C7 | 137.3° | 180.0° |
C4 | C5 | C6 | H61 | 103.5° | 60.0° |
C4 | C5 | C6 | H62 | 17.4° | 60.0° |
H41 | C4 | C5 | C6 | 60.8° | 60.0° |
H41 | C4 | C5 | H51 | 178.1° | 180.0° |
H41 | C4 | C5 | H52 | 59.2° | 60.0° |
H42 | C4 | C5 | C6 | 59.4° | 60.0° |
H42 | C4 | C5 | H51 | 57.9° | 60.0° |
H42 | C4 | C5 | H52 | 179.4° | 180.0° |
C6 | C5 | H51 | H52 | 118.3° | 120.0° |
C5 | C6 | C7 | H61 | 119.2° | 120.0° |
C5 | C6 | C7 | H62 | 120.0° | 120.0° |
C5 | C6 | H61 | H62 | 119.5° | 120.0° |
C5 | C6 | C7 | C8 | 152.8° | 180.0° |
C5 | C6 | C7 | H71 | 88.0° | 60.0° |
C5 | C6 | C7 | H72 | 32.8° | 60.0° |
H51 | C5 | C6 | C7 | 20.0° | 60.0° |
H51 | C5 | C6 | H61 | 139.2° | 180.0° |
H51 | C5 | C6 | H62 | 100.0° | 60.0° |
H52 | C5 | C6 | C7 | 102.7° | 60.0° |
H52 | C5 | C6 | H61 | 16.5° | 60.0° |
H52 | C5 | C6 | H62 | 137.4° | 180.0° |
C7 | C6 | H61 | H62 | 119.4° | 120.0° |
C6 | C7 | C8 | H71 | 119.2° | 120.0° |
C6 | C7 | C8 | H72 | 120.0° | 120.0° |
C6 | C7 | H71 | H72 | 119.5° | 120.0° |
C6 | C7 | C8 | C9 | 165.2° | 180.0° |
C6 | C7 | C8 | H81 | 46.5° | 60.0° |
C6 | C7 | C8 | H82 | 74.8° | 60.0° |
H61 | C6 | C7 | C8 | 33.7° | 60.0° |
H61 | C6 | C7 | H71 | 152.9° | 180.0° |
H61 | C6 | C7 | H72 | 86.3° | 60.0° |
H62 | C6 | C7 | C8 | 87.1° | 60.0° |
H62 | C6 | C7 | H71 | 32.0° | 60.0° |
H62 | C6 | C7 | H72 | 152.8° | 180.0° |
C8 | C7 | H71 | H72 | 119.5° | 119.9° |
C7 | C8 | C9 | H81 | 118.7° | 120.0° |
C7 | C8 | C9 | H82 | 120.0° | 120.0° |
C7 | C8 | H81 | H82 | 119.1° | 120.0° |
C7 | C8 | C9 | C10 | 127.5° | 180.0° |
C7 | C8 | C9 | H91 | 7.7° | 60.1° |
C7 | C8 | C9 | H92 | 112.5° | 60.0° |
H71 | C7 | C8 | C9 | 75.7° | 60.0° |
H71 | C7 | C8 | H81 | 165.7° | 180.0° |
H71 | C7 | C8 | H82 | 44.3° | 60.0° |
H72 | C7 | C8 | C9 | 45.2° | 60.0° |
H72 | C7 | C8 | H81 | 73.5° | 60.1° |
H72 | C7 | C8 | H82 | 165.2° | 180.0° |
C9 | C8 | H81 | H82 | 119.2° | 120.0° |
C8 | C9 | C10 | H91 | 119.8° | 119.9° |
C8 | C9 | C10 | H92 | 120.0° | 120.0° |
C8 | C9 | H91 | H92 | 119.9° | 120.0° |
C8 | C9 | C10 | C11 | 103.4° | 180.0° |
C8 | C9 | C10 | H101 | 15.2° | 60.1° |
C8 | C9 | C10 | H102 | 136.6° | 60.0° |
H81 | C8 | C9 | C10 | 113.8° | 60.0° |
H81 | C8 | C9 | H91 | 126.3° | 179.9° |
H81 | C8 | C9 | H92 | 6.2° | 60.0° |
H82 | C8 | C9 | C10 | 7.5° | 60.0° |
H82 | C8 | C9 | H91 | 112.3° | 60.0° |
H82 | C8 | C9 | H92 | 127.5° | 180.0° |
C10 | C9 | H91 | H92 | 119.9° | 120.1° |
C9 | C10 | C11 | H101 | 118.6° | 119.9° |
C9 | C10 | C11 | H102 | 120.0° | 119.9° |
C9 | C10 | H101 | H102 | 119.1° | 120.0° |
C9 | C10 | C11 | C12 | 158.6° | 179.9° |
C9 | C10 | C11 | H111 | 82.0° | 60.0° |
C9 | C10 | C11 | H112 | 38.6° | 60.0° |
H91 | C9 | C10 | C11 | 136.8° | 60.0° |
H91 | C9 | C10 | H101 | 104.6° | 180.0° |
H91 | C9 | C10 | H102 | 16.8° | 59.9° |
H92 | C9 | C10 | C11 | 16.6° | 60.1° |
H92 | C9 | C10 | H101 | 135.2° | 59.9° |
H92 | C9 | C10 | H102 | 103.4° | 180.0° |
C11 | C10 | H101 | H102 | 119.1° | 120.1° |
C10 | C11 | C12 | H111 | 119.5° | 120.0° |
C10 | C11 | C12 | H112 | 120.0° | 119.9° |
C10 | C11 | H111 | H112 | 119.6° | 120.0° |
C10 | C11 | C12 | H121 | 25.2° | 180.0° |
C10 | C11 | C12 | H122 | 94.8° | 60.1° |
C10 | C11 | C12 | H123 | 145.2° | 59.9° |
H101 | C10 | C11 | C12 | 40.0° | 60.0° |
H101 | C10 | C11 | H111 | 159.4° | 179.9° |
H101 | C10 | C11 | H112 | 80.0° | 59.9° |
H102 | C10 | C11 | C12 | 81.4° | 60.1° |
H102 | C10 | C11 | H111 | 38.0° | 59.9° |
H102 | C10 | C11 | H112 | 158.6° | 179.9° |
C12 | C11 | H111 | H112 | 119.6° | 120.0° |
C11 | C12 | H121 | H122 | 120.0° | 119.9° |
C11 | C12 | H121 | H123 | 120.1° | 120.1° |
C11 | C12 | H122 | H123 | 120.1° | 120.0° |
H111 | C11 | C12 | H121 | 144.6° | 60.0° |
H111 | C11 | C12 | H122 | 24.7° | 59.9° |
H111 | C11 | C12 | H123 | 95.3° | 180.0° |
H112 | C11 | C12 | H121 | 94.8° | 60.1° |
H112 | C11 | C12 | H122 | 145.2° | 180.0° |
H112 | C11 | C12 | H123 | 25.2° | 60.0° |
H121 | C12 | H122 | H123 | 120.0° | 120.0° |
CB | CA | C | HA | 122.2° | 120.0° |
CA | CB | CG | HB1 | 118.1° | 120.0° |
CA | CB | CG | HB2 | 120.0° | 119.9° |
CA | CB | HB1 | HB2 | 118.8° | 120.0° |
CA | CB | CG | CD2 | 50.6° | 90.3° |
CA | CB | CG | CD1 | 132.5° | 90.1° |
CB | CA | C | O | 77.7° | 60.0° |
CB | CA | C | O2 | 101.8° | 120.0° |
C | CA | CB | CG | 154.6° | 175.0° |
C | CA | CB | HB1 | 36.5° | 65.0° |
C | CA | CB | HB2 | 85.4° | 55.0° |
CA | C | O | O2 | 179.4° | 180.0° |
CA | C | O | HO | 179.4° | 179.9° |
HA | CA | CB | CG | 35.5° | 55.0° |
HA | CA | CB | HB1 | 82.6° | 175.0° |
HA | CA | CB | HB2 | 155.5° | 65.0° |
HA | CA | C | O | 160.1° | 60.0° |
HA | CA | C | O2 | 20.5° | 120.0° |
CG | CB | HB1 | HB2 | 118.8° | 120.1° |
CB | CG | CD2 | CD1 | 176.8° | 179.6° |
CB | CG | CD2 | CE2 | 178.7° | 179.7° |
CB | CG | CD2 | HD2 | 1.3° | 0.3° |
CB | CG | CD1 | CE1 | 178.7° | 180.0° |
CB | CG | CD1 | HD1 | 1.2° | 0.1° |
HB1 | CB | CG | CD2 | 67.5° | 149.7° |
HB1 | CB | CG | CD1 | 109.4° | 29.9° |
HB2 | CB | CG | CD2 | 170.6° | 29.6° |
HB2 | CB | CG | CD1 | 12.5° | 150.0° |
CG | CD2 | CE2 | HD2 | 180.0° | 179.4° |
CG | CD2 | CE2 | CZ | 1.0° | 0.6° |
CG | CD2 | CE2 | HE2 | 179.0° | 179.7° |
CD2 | CG | CD1 | CE1 | 1.8° | 0.3° |
CD2 | CG | CD1 | HD1 | 178.2° | 179.7° |
CD1 | CG | CD2 | CE2 | 1.8° | 0.6° |
CD1 | CG | CD2 | HD2 | 178.2° | 179.9° |
CG | CD1 | CE1 | CZ | 1.0° | 0.0° |
CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
CG | CD1 | CE1 | HE1 | 179.0° | 179.9° |
CD2 | CE2 | CZ | HE2 | 180.0° | 179.7° |
CD2 | CE2 | CZ | CE1 | 0.2° | 0.3° |
CD2 | CE2 | CZ | OH | 179.7° | 179.7° |
HD2 | CD2 | CE2 | CZ | 179.0° | 180.0° |
HD2 | CD2 | CE2 | HE2 | 1.0° | 0.3° |
CE2 | CZ | CE1 | OH | 179.9° | 180.0° |
CE2 | CZ | CE1 | CD1 | 0.2° | 0.0° |
CE2 | CZ | CE1 | HE1 | 179.8° | 179.9° |
CE2 | CZ | OH | HOH | 136.7° | 90.0° |
HE2 | CE2 | CZ | CE1 | 179.8° | 180.0° |
HE2 | CE2 | CZ | OH | 0.3° | 0.0° |
CZ | CE1 | CD1 | HE1 | 180.0° | 179.9° |
CZ | CE1 | CD1 | HD1 | 179.0° | 180.0° |
CE1 | CZ | OH | HOH | 43.4° | 90.0° |
OH | CZ | CE1 | CD1 | 179.7° | 180.0° |
OH | CZ | CE1 | HE1 | 0.3° | 0.1° |
HE1 | CE1 | CD1 | HD1 | 1.0° | 0.0° |
O2 | C | O | HO | 0.0° | 0.0° |