E4M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.35Å | |
| N1 | C8A | sing | 1.34Å | 1.35Å | |
| C2 | N3 | sing | 1.36Å | 1.37Å | |
| C2 | NA2 | sing | 1.37Å | 1.36Å | |
| N3 | C4 | sing | 1.35Å | 1.37Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C4 | C4A | sing | 1.40Å | 1.40Å | |
| C4 | OH4 | doub | 1.22Å | 1.26Å | |
| N5 | C6 | sing | 1.48Å | 1.46Å | |
| N5 | C10 | doub | 1.28Å | 1.44Å | |
| N5 | C4A | sing | 1.37Å | 1.40Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | C9 | sing | 1.53Å | 1.56Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | N8 | sing | 1.47Å | 1.46Å | |
| C7 | C7M | sing | 1.53Å | 1.54Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| N8 | C8A | sing | 1.38Å | 1.35Å | |
| N8 | HN8 | sing | 0.97Å | 1.00Å | |
| C9 | N10 | sing | 1.47Å | 1.48Å | |
| C9 | C9M | sing | 1.53Å | 1.54Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| PA | O2A | sing | 1.61Å | 1.52Å | |
| PA | O1A | sing | 1.61Å | 1.53Å | |
| PA | O3A | doub | 1.48Å | 1.51Å | |
| PA | O5J | sing | 1.61Å | 1.62Å | |
| C10 | N10 | sing | 1.37Å | 1.45Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| N10 | C14 | sing | 1.40Å | 1.43Å | |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | CX1 | sing | 1.51Å | 1.52Å | |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | sing | 1.39Å | 1.42Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| O2A | C27 | sing | 1.43Å | 1.43Å | |
| C1J | C2J | sing | 1.54Å | 1.53Å | |
| C1J | O4J | sing | 1.44Å | 1.43Å | |
| C1J | OX5 | sing | 1.43Å | 1.41Å | |
| C1J | H1J | sing | 1.09Å | 1.10Å | |
| O1A | HO1A | sing | 0.97Å | 0.95Å | |
| C2J | O2J | sing | 1.43Å | 1.43Å | |
| C2J | C3J | sing | 1.55Å | 1.52Å | |
| C2J | H2J | sing | 1.09Å | 1.10Å | |
| O2J | HO2J | sing | 0.97Å | 0.95Å | |
| C3J | O3J | sing | 1.43Å | 1.41Å | |
| C3J | C4J | sing | 1.55Å | 1.52Å | |
| C3J | H3J | sing | 1.09Å | 1.10Å | |
| O3J | HO3J | sing | 0.97Å | 0.95Å | |
| C4A | C8A | doub | 1.40Å | 1.38Å | |
| C4J | O4J | sing | 1.44Å | 1.43Å | |
| C4J | C5J | sing | 1.53Å | 1.51Å | |
| C4J | H4J | sing | 1.09Å | 1.10Å | |
| C5J | O5J | sing | 1.43Å | 1.42Å | |
| C5J | H5J | sing | 1.09Å | 1.10Å | |
| C5J | H5JA | sing | 1.09Å | 1.10Å | |
| C7M | H7M | sing | 1.09Å | 1.10Å | |
| C7M | H7MA | sing | 1.09Å | 1.10Å | |
| C7M | H7MB | sing | 1.09Å | 1.10Å | |
| C9M | H9M | sing | 1.09Å | 1.10Å | |
| C9M | H9MA | sing | 1.09Å | 1.10Å | |
| C9M | H9MB | sing | 1.09Å | 1.10Å | |
| NA2 | HNA2 | sing | 0.97Å | 1.00Å | |
| NA2 | HNAA | sing | 0.97Å | 1.00Å | |
| CX1 | CX2 | sing | 1.53Å | 1.52Å | |
| CX1 | HX1 | sing | 1.09Å | 1.10Å | |
| CX1 | HX1A | sing | 1.09Å | 1.10Å | |
| CX2 | OX2 | sing | 1.43Å | 1.44Å | |
| CX2 | CX3 | sing | 1.53Å | 1.53Å | |
| CX2 | HX2 | sing | 1.09Å | 1.10Å | |
| OX2 | HOX2 | sing | 0.97Å | 0.95Å | |
| CX3 | OX3 | sing | 1.43Å | 1.43Å | |
| CX3 | CX4 | sing | 1.53Å | 1.52Å | |
| CX3 | HX3 | sing | 1.09Å | 1.10Å | |
| OX3 | HOX3 | sing | 0.97Å | 0.95Å | |
| CX4 | OX4 | sing | 1.43Å | 1.42Å | |
| CX4 | CX5 | sing | 1.53Å | 1.51Å | |
| CX4 | HX4 | sing | 1.09Å | 1.10Å | |
| OX4 | HOX4 | sing | 0.97Å | 0.95Å | |
| CX5 | OX5 | sing | 1.43Å | 1.42Å | |
| CX5 | HX5 | sing | 1.09Å | 1.10Å | |
| CX5 | HX5A | sing | 1.09Å | 1.10Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C29 | C30 | sing | 1.51Å | 1.54Å | |
| C30 | O13 | doub | 1.21Å | 1.22Å | |
| C30 | O14 | sing | 1.34Å | 1.43Å | |
| C27 | C31 | sing | 1.51Å | 1.54Å | |
| C31 | O15 | doub | 1.21Å | 1.22Å | |
| C31 | O16 | sing | 1.34Å | 1.43Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C28 | H39 | sing | 1.09Å | 1.10Å | |
| C28 | H40 | sing | 1.09Å | 1.10Å | |
| C29 | H41 | sing | 1.09Å | 1.10Å | |
| C29 | H42 | sing | 1.09Å | 1.10Å | |
| O14 | H43 | sing | 0.97Å | 0.95Å | |
| O16 | H44 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C8A | 121.0° | 121.2° |
| N1 | C2 | N3 | 119.9° | 122.1° |
| N1 | C2 | NA2 | 118.6° | 118.9° |
| N1 | C8A | N8 | 119.8° | 120.8° |
| N1 | C8A | C4A | 120.0° | 118.9° |
| N3 | C2 | NA2 | 121.5° | 118.9° |
| C2 | N3 | C4 | 121.4° | 120.1° |
| C2 | N3 | HN3 | 119.3° | 120.0° |
| C2 | NA2 | HNA2 | 120.0° | 120.1° |
| C2 | NA2 | HNAA | 120.0° | 120.0° |
| C4 | N3 | HN3 | 119.3° | 120.0° |
| N3 | C4 | C4A | 118.2° | 118.2° |
| N3 | C4 | OH4 | 121.0° | 120.9° |
| C4A | C4 | OH4 | 120.9° | 120.9° |
| C4 | C4A | N5 | 124.1° | 122.7° |
| C4 | C4A | C8A | 119.5° | 119.5° |
| C6 | N5 | C10 | 103.8° | 109.9° |
| C6 | N5 | C4A | 117.6° | 120.5° |
| N5 | C6 | C7 | 104.3° | 106.5° |
| N5 | C6 | C9 | 104.7° | 103.8° |
| N5 | C6 | H6 | 118.9° | 111.4° |
| C10 | N5 | C4A | 126.4° | 129.4° |
| N5 | C10 | N10 | 112.0° | 114.3° |
| N5 | C10 | H10 | 124.0° | 122.9° |
| N5 | C4A | C8A | 116.4° | 117.8° |
| C7 | C6 | C9 | 117.8° | 111.8° |
| C7 | C6 | H6 | 106.1° | 111.1° |
| C6 | C7 | N8 | 109.7° | 107.7° |
| C6 | C7 | C7M | 112.8° | 109.8° |
| C6 | C7 | H7 | 106.9° | 109.8° |
| C9 | C6 | H6 | 105.7° | 111.8° |
| C6 | C9 | N10 | 103.2° | 103.1° |
| C6 | C9 | C9M | 111.5° | 110.7° |
| C6 | C9 | H9 | 113.3° | 110.7° |
| N8 | C7 | C7M | 108.9° | 109.8° |
| N8 | C7 | H7 | 110.9° | 109.8° |
| C7 | N8 | C8A | 122.9° | 120.5° |
| C7 | N8 | HN8 | 105.2° | 119.8° |
| C7M | C7 | H7 | 107.6° | 109.8° |
| C7 | C7M | H7M | 109.5° | 109.5° |
| C7 | C7M | H7MA | 109.4° | 109.4° |
| C7 | C7M | H7MB | 109.5° | 109.5° |
| C8A | N8 | HN8 | 105.2° | 119.7° |
| N8 | C8A | C4A | 120.2° | 120.2° |
| N10 | C9 | C9M | 112.4° | 110.7° |
| N10 | C9 | H9 | 112.4° | 110.7° |
| C9 | N10 | C10 | 105.9° | 108.3° |
| C9 | N10 | C14 | 127.6° | 125.8° |
| C9M | C9 | H9 | 104.3° | 110.7° |
| C9 | C9M | H9M | 109.5° | 109.5° |
| C9 | C9M | H9MA | 109.5° | 109.5° |
| C9 | C9M | H9MB | 109.5° | 109.4° |
| O2A | PA | O1A | 116.4° | 109.5° |
| O2A | PA | O3A | 114.7° | 109.5° |
| O2A | PA | O5J | 102.3° | 109.4° |
| PA | O2A | C27 | 109.5° | 123.0° |
| O1A | PA | O3A | 115.4° | 109.5° |
| O1A | PA | O5J | 101.8° | 109.5° |
| PA | O1A | HO1A | 109.5° | 114.0° |
| O3A | PA | O5J | 103.2° | 109.5° |
| PA | O5J | C5J | 116.8° | 123.0° |
| N10 | C10 | H10 | 124.0° | 122.8° |
| C10 | N10 | C14 | 122.0° | 125.9° |
| N10 | C14 | C13 | 120.9° | 120.1° |
| N10 | C14 | C15 | 119.8° | 120.0° |
| C12 | C11 | C16 | 119.6° | 120.1° |
| C12 | C11 | CX1 | 120.3° | 120.0° |
| C11 | C12 | C13 | 119.9° | 120.1° |
| C11 | C12 | H12 | 120.0° | 119.9° |
| C16 | C11 | CX1 | 120.1° | 119.9° |
| C11 | C16 | C15 | 120.7° | 120.1° |
| C11 | C16 | H16 | 119.6° | 119.9° |
| C11 | CX1 | CX2 | 113.0° | 109.5° |
| C11 | CX1 | HX1 | 108.3° | 109.5° |
| C11 | CX1 | HX1A | 108.3° | 109.4° |
| C13 | C12 | H12 | 120.1° | 120.0° |
| C12 | C13 | C14 | 121.1° | 119.9° |
| C12 | C13 | H13 | 119.5° | 120.0° |
| C14 | C13 | H13 | 119.5° | 120.1° |
| C13 | C14 | C15 | 119.3° | 119.9° |
| C14 | C15 | C16 | 119.4° | 119.9° |
| C14 | C15 | H15 | 120.3° | 120.1° |
| C16 | C15 | H15 | 120.3° | 120.0° |
| C15 | C16 | H16 | 119.7° | 120.0° |
| O2A | C27 | C28 | 120.0° | 109.5° |
| O2A | C27 | C31 | 102.8° | 109.5° |
| O2A | C27 | H38 | 106.1° | 109.5° |
| C2J | C1J | O4J | 106.1° | 107.3° |
| C2J | C1J | OX5 | 112.1° | 109.8° |
| C2J | C1J | H1J | 109.3° | 109.9° |
| C1J | C2J | O2J | 111.8° | 110.5° |
| C1J | C2J | C3J | 104.7° | 104.2° |
| C1J | C2J | H2J | 112.9° | 110.5° |
| O4J | C1J | OX5 | 107.1° | 109.9° |
| O4J | C1J | H1J | 114.0° | 109.9° |
| C1J | O4J | C4J | 111.1° | 107.0° |
| OX5 | C1J | H1J | 108.3° | 110.0° |
| C1J | OX5 | CX5 | 114.5° | 114.0° |
| O2J | C2J | C3J | 114.3° | 110.5° |
| O2J | C2J | H2J | 103.1° | 110.4° |
| C2J | O2J | HO2J | 109.5° | 114.0° |
| C3J | C2J | H2J | 110.3° | 110.6° |
| C2J | C3J | O3J | 112.7° | 110.9° |
| C2J | C3J | C4J | 102.8° | 102.1° |
| C2J | C3J | H3J | 111.1° | 110.9° |
| O3J | C3J | C4J | 107.4° | 110.8° |
| O3J | C3J | H3J | 106.8° | 110.8° |
| C3J | O3J | HO3J | 109.5° | 113.9° |
| C4J | C3J | H3J | 116.1° | 110.9° |
| C3J | C4J | O4J | 107.1° | 103.5° |
| C3J | C4J | C5J | 110.5° | 110.6° |
| C3J | C4J | H4J | 109.8° | 110.7° |
| O4J | C4J | C5J | 107.8° | 110.6° |
| O4J | C4J | H4J | 112.4° | 110.6° |
| C5J | C4J | H4J | 109.1° | 110.6° |
| C4J | C5J | O5J | 107.7° | 109.5° |
| C4J | C5J | H5J | 110.1° | 109.5° |
| C4J | C5J | H5JA | 110.1° | 109.4° |
| O5J | C5J | H5J | 110.1° | 109.5° |
| O5J | C5J | H5JA | 110.0° | 109.5° |
| H5J | C5J | H5JA | 108.9° | 109.5° |
| H7M | C7M | H7MA | 109.4° | 109.4° |
| H7M | C7M | H7MB | 109.4° | 109.5° |
| H7MA | C7M | H7MB | 109.5° | 109.4° |
| H9M | C9M | H9MA | 109.5° | 109.5° |
| H9M | C9M | H9MB | 109.4° | 109.4° |
| H9MA | C9M | H9MB | 109.5° | 109.4° |
| HNA2 | NA2 | HNAA | 120.0° | 119.9° |
| CX2 | CX1 | HX1 | 108.3° | 109.5° |
| CX2 | CX1 | HX1A | 108.3° | 109.4° |
| CX1 | CX2 | OX2 | 110.2° | 109.5° |
| CX1 | CX2 | CX3 | 111.1° | 109.5° |
| CX1 | CX2 | HX2 | 107.0° | 109.5° |
| HX1 | CX1 | HX1A | 110.6° | 109.5° |
| OX2 | CX2 | CX3 | 106.7° | 109.5° |
| OX2 | CX2 | HX2 | 111.4° | 109.5° |
| CX2 | OX2 | HOX2 | 109.5° | 113.9° |
| CX3 | CX2 | HX2 | 110.5° | 109.4° |
| CX2 | CX3 | OX3 | 113.0° | 109.5° |
| CX2 | CX3 | CX4 | 109.1° | 109.5° |
| CX2 | CX3 | HX3 | 107.4° | 109.4° |
| OX3 | CX3 | CX4 | 109.8° | 109.5° |
| OX3 | CX3 | HX3 | 106.7° | 109.5° |
| CX3 | OX3 | HOX3 | 109.5° | 114.0° |
| CX4 | CX3 | HX3 | 110.7° | 109.5° |
| CX3 | CX4 | OX4 | 108.0° | 109.5° |
| CX3 | CX4 | CX5 | 113.7° | 109.5° |
| CX3 | CX4 | HX4 | 107.8° | 109.5° |
| OX4 | CX4 | CX5 | 110.1° | 109.5° |
| OX4 | CX4 | HX4 | 111.7° | 109.5° |
| CX4 | OX4 | HOX4 | 109.5° | 114.0° |
| CX5 | CX4 | HX4 | 105.6° | 109.5° |
| CX4 | CX5 | OX5 | 104.0° | 109.5° |
| CX4 | CX5 | HX5 | 111.3° | 109.5° |
| CX4 | CX5 | HX5A | 111.3° | 109.5° |
| OX5 | CX5 | HX5 | 111.4° | 109.5° |
| OX5 | CX5 | HX5A | 111.3° | 109.5° |
| HX5 | CX5 | HX5A | 107.5° | 109.4° |
| C27 | C28 | C29 | 120.0° | 109.5° |
| C28 | C27 | C31 | 106.1° | 109.5° |
| C28 | C27 | H38 | 102.9° | 109.5° |
| C27 | C28 | H39 | 106.1° | 109.5° |
| C27 | C28 | H40 | 106.1° | 109.5° |
| C28 | C29 | C30 | 120.0° | 109.5° |
| C29 | C28 | H39 | 106.1° | 109.4° |
| C29 | C28 | H40 | 106.1° | 109.4° |
| C28 | C29 | H41 | 106.1° | 109.4° |
| C28 | C29 | H42 | 106.1° | 109.5° |
| C29 | C30 | O13 | 120.0° | 120.0° |
| C29 | C30 | O14 | 120.0° | 120.0° |
| C30 | C29 | H41 | 106.1° | 109.5° |
| C30 | C29 | H42 | 106.1° | 109.5° |
| O13 | C30 | O14 | 120.0° | 120.0° |
| C30 | O14 | H43 | 109.5° | 117.0° |
| C27 | C31 | O15 | 120.0° | 120.0° |
| C27 | C31 | O16 | 120.0° | 120.0° |
| C31 | C27 | H38 | 120.0° | 109.4° |
| O15 | C31 | O16 | 120.0° | 120.0° |
| C31 | O16 | H44 | 109.5° | 117.0° |
| H39 | C28 | H40 | 112.6° | 109.4° |
| H41 | C29 | H42 | 112.6° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | NA2 | 178.7° | 179.9° |
| N1 | C2 | N3 | C4 | 0.6° | 0.2° |
| N1 | C2 | N3 | HN3 | 179.5° | 179.7° |
| C2 | N1 | C8A | N8 | 178.9° | 179.0° |
| C2 | N1 | C8A | C4A | 0.4° | 0.5° |
| N1 | C2 | NA2 | HNA2 | 0.0° | 0.1° |
| N1 | C2 | NA2 | HNAA | 180.0° | 180.0° |
| C8A | N1 | C2 | N3 | 0.9° | 0.0° |
| C8A | N1 | C2 | NA2 | 179.6° | 179.9° |
| N1 | C8A | C4A | C4 | 0.4° | 0.6° |
| N1 | C8A | C4A | N5 | 179.6° | 178.9° |
| N1 | C8A | N8 | C7 | 177.4° | 166.3° |
| N1 | C8A | N8 | C4A | 179.3° | 179.5° |
| N1 | C8A | N8 | HN8 | 57.3° | 13.6° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.9° |
| C2 | N3 | C4 | C4A | 0.2° | 0.1° |
| C2 | N3 | C4 | OH4 | 179.0° | 180.0° |
| N3 | C2 | NA2 | HNA2 | 178.7° | 180.0° |
| N3 | C2 | NA2 | HNAA | 1.4° | 0.0° |
| NA2 | C2 | N3 | C4 | 179.2° | 179.7° |
| NA2 | C2 | N3 | HN3 | 0.8° | 0.4° |
| C2 | NA2 | HNA2 | HNAA | 180.0° | 180.0° |
| N3 | C4 | C4A | OH4 | 178.7° | 179.9° |
| N3 | C4 | C4A | N5 | 179.9° | 179.1° |
| N3 | C4 | C4A | C8A | 0.7° | 0.4° |
| HN3 | N3 | C4 | C4A | 179.7° | 179.9° |
| HN3 | N3 | C4 | OH4 | 1.0° | 0.1° |
| C4 | C4A | N5 | C6 | 145.5° | 158.6° |
| C4 | C4A | N5 | C10 | 9.3° | 27.6° |
| C4 | C4A | N5 | C8A | 179.2° | 179.5° |
| C4 | C4A | C8A | N8 | 179.7° | 178.8° |
| OH4 | C4 | C4A | N5 | 1.4° | 1.0° |
| OH4 | C4 | C4A | C8A | 179.4° | 179.5° |
| C6 | N5 | C10 | C4A | 140.8° | 174.3° |
| N5 | C6 | C7 | C9 | 115.5° | 112.8° |
| N5 | C6 | C7 | H6 | 126.4° | 121.4° |
| N5 | C6 | C9 | H6 | 126.4° | 120.2° |
| N5 | C6 | C7 | N8 | 52.4° | 55.6° |
| N5 | C6 | C7 | C7M | 174.0° | 175.1° |
| N5 | C6 | C7 | H7 | 67.9° | 64.0° |
| N5 | C6 | C9 | N10 | 31.0° | 7.6° |
| N5 | C6 | C9 | C9M | 151.9° | 126.0° |
| N5 | C6 | C9 | H9 | 90.8° | 110.8° |
| C6 | N5 | C10 | N10 | 20.0° | 3.6° |
| C6 | N5 | C10 | H10 | 159.9° | 176.4° |
| C6 | N5 | C4A | C8A | 33.7° | 21.9° |
| C10 | N5 | C6 | C7 | 155.1° | 125.3° |
| C10 | N5 | C6 | C9 | 30.7° | 7.1° |
| C10 | N5 | C6 | H6 | 87.0° | 113.4° |
| N5 | C10 | N10 | C9 | 0.0° | 1.8° |
| N5 | C10 | N10 | H10 | 180.0° | 180.0° |
| N5 | C10 | N10 | C14 | 157.8° | 178.2° |
| C10 | N5 | C4A | C8A | 169.9° | 151.9° |
| C4A | N5 | C6 | C7 | 59.9° | 49.6° |
| C4A | N5 | C6 | C9 | 175.7° | 167.8° |
| C4A | N5 | C6 | H6 | 58.0° | 71.7° |
| N5 | C4A | C8A | N8 | 1.1° | 1.6° |
| C4A | N5 | C10 | N10 | 160.9° | 170.8° |
| C4A | N5 | C10 | H10 | 19.1° | 9.2° |
| C7 | C6 | C9 | H6 | 118.3° | 125.4° |
| C6 | C7 | N8 | C7M | 123.9° | 119.6° |
| C6 | C7 | N8 | H7 | 117.8° | 119.5° |
| C6 | C7 | C7M | H7 | 117.6° | 120.8° |
| C6 | C7 | N8 | C8A | 25.6° | 42.3° |
| C6 | C7 | N8 | HN8 | 94.4° | 137.8° |
| C7 | C6 | C9 | N10 | 146.3° | 122.0° |
| C7 | C6 | C9 | C9M | 92.8° | 119.5° |
| C7 | C6 | C9 | H9 | 24.5° | 3.6° |
| C6 | C7 | C7M | H7M | 180.0° | 60.0° |
| C6 | C7 | C7M | H7MA | 60.0° | 180.0° |
| C6 | C7 | C7M | H7MB | 60.0° | 60.0° |
| C9 | C6 | C7 | N8 | 167.9° | 168.4° |
| C9 | C6 | C7 | C7M | 70.5° | 72.1° |
| C9 | C6 | C7 | H7 | 47.6° | 48.8° |
| C6 | C9 | N10 | C9M | 120.3° | 118.4° |
| C6 | C9 | N10 | H9 | 122.4° | 118.4° |
| C6 | C9 | C9M | H9 | 122.6° | 123.1° |
| C6 | C9 | N10 | C10 | 18.7° | 6.0° |
| C6 | C9 | N10 | C14 | 174.8° | 174.0° |
| C6 | C9 | C9M | H9M | 180.0° | 66.6° |
| C6 | C9 | C9M | H9MA | 60.0° | 173.4° |
| C6 | C9 | C9M | H9MB | 60.0° | 53.4° |
| H6 | C6 | C7 | N8 | 74.0° | 65.9° |
| H6 | C6 | C7 | C7M | 47.6° | 53.7° |
| H6 | C6 | C7 | H7 | 165.7° | 174.5° |
| H6 | C6 | C9 | N10 | 95.3° | 112.6° |
| H6 | C6 | C9 | C9M | 25.5° | 5.8° |
| H6 | C6 | C9 | H9 | 142.8° | 129.0° |
| N8 | C7 | C7M | H7 | 120.3° | 120.9° |
| C7 | N8 | C8A | HN8 | 120.0° | 179.9° |
| C7 | N8 | C8A | C4A | 3.3° | 14.2° |
| N8 | C7 | C7M | H7M | 58.0° | 178.3° |
| N8 | C7 | C7M | H7MA | 62.0° | 61.7° |
| N8 | C7 | C7M | H7MB | 178.0° | 58.2° |
| C7M | C7 | N8 | C8A | 149.5° | 161.9° |
| C7M | C7 | N8 | HN8 | 29.5° | 18.2° |
| C7 | C7M | H7M | H7MA | 120.0° | 120.0° |
| C7 | C7M | H7M | H7MB | 120.0° | 120.1° |
| C7 | C7M | H7MA | H7MB | 120.0° | 120.0° |
| H7 | C7 | N8 | C8A | 92.2° | 77.2° |
| H7 | C7 | N8 | HN8 | 147.8° | 102.7° |
| H7 | C7 | C7M | H7M | 62.4° | 60.8° |
| H7 | C7 | C7M | H7MA | 177.7° | 59.2° |
| H7 | C7 | C7M | H7MB | 57.6° | 179.1° |
| HN8 | N8 | C8A | C4A | 123.4° | 165.9° |
| N10 | C9 | C9M | H9 | 122.0° | 123.2° |
| C9 | N10 | C10 | C14 | 157.8° | 180.0° |
| C9 | N10 | C10 | H10 | 180.0° | 178.2° |
| C9 | N10 | C14 | C13 | 1.8° | 5.5° |
| C9 | N10 | C14 | C15 | 178.7° | 174.4° |
| N10 | C9 | C9M | H9M | 64.6° | 47.1° |
| N10 | C9 | C9M | H9MA | 175.4° | 72.9° |
| N10 | C9 | C9M | H9MB | 55.3° | 167.1° |
| C9M | C9 | N10 | C10 | 138.9° | 124.4° |
| C9M | C9 | N10 | C14 | 64.9° | 55.5° |
| C9 | C9M | H9M | H9MA | 120.0° | 120.1° |
| C9 | C9M | H9M | H9MB | 120.0° | 120.0° |
| C9 | C9M | H9MA | H9MB | 120.0° | 120.0° |
| H9 | C9 | N10 | C10 | 103.7° | 112.4° |
| H9 | C9 | N10 | C14 | 52.4° | 67.6° |
| H9 | C9 | C9M | H9M | 57.4° | 170.3° |
| H9 | C9 | C9M | H9MA | 62.6° | 50.2° |
| H9 | C9 | C9M | H9MB | 177.4° | 69.7° |
| O2A | PA | O1A | O3A | 138.7° | 120.0° |
| O2A | PA | O1A | O5J | 110.3° | 119.9° |
| O2A | PA | O3A | O5J | 110.4° | 120.0° |
| O2A | PA | O1A | HO1A | 138.7° | 60.0° |
| O2A | PA | O5J | C5J | 126.4° | 175.0° |
| PA | O2A | C27 | C28 | 180.0° | 120.0° |
| PA | O2A | C27 | C31 | 62.6° | 120.0° |
| PA | O2A | C27 | H38 | 64.2° | 0.0° |
| O1A | PA | O3A | O5J | 110.2° | 120.0° |
| O1A | PA | O2A | C27 | 139.0° | 65.0° |
| O1A | PA | O5J | C5J | 5.7° | 65.0° |
| O3A | PA | O2A | C27 | 0.0° | 55.0° |
| O3A | PA | O1A | HO1A | 0.0° | 180.0° |
| O3A | PA | O5J | C5J | 114.3° | 55.0° |
| O5J | PA | O2A | C27 | 111.0° | 175.0° |
| O5J | PA | O1A | HO1A | 111.0° | 60.0° |
| PA | O5J | C5J | C4J | 167.3° | 180.0° |
| PA | O5J | C5J | H5J | 72.7° | 60.0° |
| PA | O5J | C5J | H5JA | 47.2° | 60.0° |
| C10 | N10 | C14 | C13 | 150.9° | 174.5° |
| C10 | N10 | C14 | C15 | 28.6° | 5.6° |
| H10 | C10 | N10 | C14 | 22.2° | 1.8° |
| N10 | C14 | C13 | C12 | 179.6° | 179.9° |
| N10 | C14 | C13 | C15 | 179.5° | 179.9° |
| N10 | C14 | C13 | H13 | 0.4° | 0.0° |
| N10 | C14 | C15 | C16 | 179.0° | 180.0° |
| N10 | C14 | C15 | H15 | 1.0° | 0.1° |
| C12 | C11 | C16 | CX1 | 179.3° | 179.7° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 1.2° | 0.0° |
| C11 | C12 | C13 | H13 | 178.8° | 180.0° |
| C12 | C11 | C16 | C15 | 1.2° | 0.1° |
| C12 | C11 | C16 | H16 | 178.8° | 180.0° |
| C12 | C11 | CX1 | CX2 | 57.3° | 90.0° |
| C12 | C11 | CX1 | HX1 | 62.7° | 150.0° |
| C12 | C11 | CX1 | HX1A | 177.3° | 29.9° |
| C16 | C11 | C12 | C13 | 0.2° | 0.0° |
| C16 | C11 | C12 | H12 | 179.8° | 180.0° |
| C11 | C16 | C15 | C14 | 1.6° | 0.1° |
| C11 | C16 | C15 | H16 | 180.0° | 179.9° |
| C11 | C16 | C15 | H15 | 178.4° | 180.0° |
| C16 | C11 | CX1 | CX2 | 122.0° | 90.3° |
| C16 | C11 | CX1 | HX1 | 118.0° | 29.7° |
| C16 | C11 | CX1 | HX1A | 2.0° | 149.8° |
| CX1 | C11 | C12 | C13 | 179.1° | 179.7° |
| CX1 | C11 | C12 | H12 | 0.9° | 0.2° |
| CX1 | C11 | C16 | C15 | 179.5° | 179.8° |
| CX1 | C11 | C16 | H16 | 0.6° | 0.3° |
| C11 | CX1 | CX2 | HX1 | 120.0° | 120.1° |
| C11 | CX1 | CX2 | HX1A | 120.0° | 119.9° |
| C11 | CX1 | HX1 | HX1A | 118.6° | 120.0° |
| C11 | CX1 | CX2 | OX2 | 74.2° | 64.9° |
| C11 | CX1 | CX2 | CX3 | 167.7° | 175.0° |
| C11 | CX1 | CX2 | HX2 | 47.0° | 55.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.8° | 0.0° |
| H12 | C12 | C13 | C14 | 178.8° | 180.0° |
| H12 | C12 | C13 | H13 | 1.2° | 0.1° |
| C13 | C14 | C15 | C16 | 0.5° | 0.1° |
| C13 | C14 | C15 | H15 | 179.5° | 180.0° |
| H13 | C13 | C14 | C15 | 179.1° | 179.9° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | H16 | 178.4° | 180.0° |
| H15 | C15 | C16 | H16 | 1.6° | 0.1° |
| O2A | C27 | C28 | C31 | 115.7° | 120.0° |
| O2A | C27 | C28 | H38 | 117.4° | 120.0° |
| O2A | C27 | C28 | C29 | 180.0° | 65.0° |
| O2A | C27 | C31 | H38 | 117.4° | 120.0° |
| O2A | C27 | C31 | O15 | 149.1° | 0.0° |
| O2A | C27 | C31 | O16 | 31.0° | 180.0° |
| O2A | C27 | C28 | H39 | 60.0° | 55.0° |
| O2A | C27 | C28 | H40 | 60.0° | 175.0° |
| C2J | C1J | O4J | OX5 | 119.9° | 119.4° |
| C2J | C1J | O4J | H1J | 120.3° | 119.4° |
| C2J | C1J | OX5 | H1J | 120.6° | 121.0° |
| C1J | C2J | O2J | C3J | 118.7° | 114.8° |
| C1J | C2J | O2J | H2J | 121.5° | 122.5° |
| C1J | C2J | C3J | H2J | 121.8° | 118.7° |
| C1J | C2J | O2J | HO2J | 180.0° | 61.5° |
| C1J | C2J | C3J | O3J | 87.3° | 139.1° |
| C1J | C2J | C3J | C4J | 28.0° | 20.9° |
| C1J | C2J | C3J | H3J | 152.8° | 97.3° |
| C2J | C1J | O4J | C4J | 5.5° | 26.5° |
| C2J | C1J | OX5 | CX5 | 97.2° | 170.0° |
| O4J | C1J | OX5 | H1J | 123.4° | 121.1° |
| O4J | C1J | C2J | O2J | 145.6° | 120.7° |
| O4J | C1J | C2J | C3J | 21.3° | 2.0° |
| O4J | C1J | C2J | H2J | 98.7° | 116.8° |
| C1J | O4J | C4J | C3J | 12.8° | 40.1° |
| C1J | O4J | C4J | C5J | 106.2° | 158.6° |
| C1J | O4J | C4J | H4J | 133.5° | 78.4° |
| O4J | C1J | OX5 | CX5 | 146.8° | 72.1° |
| OX5 | C1J | C2J | O2J | 28.9° | 1.2° |
| OX5 | C1J | C2J | C3J | 95.3° | 117.4° |
| OX5 | C1J | C2J | H2J | 144.6° | 123.7° |
| OX5 | C1J | O4J | C4J | 114.5° | 92.9° |
| C1J | OX5 | CX5 | CX4 | 154.5° | 180.0° |
| C1J | OX5 | CX5 | HX5 | 85.5° | 60.0° |
| C1J | OX5 | CX5 | HX5A | 34.5° | 59.9° |
| H1J | C1J | C2J | O2J | 91.0° | 119.9° |
| H1J | C1J | C2J | C3J | 144.7° | 121.4° |
| H1J | C1J | C2J | H2J | 24.6° | 2.6° |
| H1J | C1J | O4J | C4J | 125.8° | 145.9° |
| H1J | C1J | OX5 | CX5 | 23.4° | 49.0° |
| O2J | C2J | C3J | H2J | 115.6° | 122.6° |
| O2J | C2J | C3J | O3J | 35.3° | 20.4° |
| O2J | C2J | C3J | C4J | 150.6° | 97.8° |
| O2J | C2J | C3J | H3J | 84.5° | 144.0° |
| C3J | C2J | O2J | HO2J | 61.3° | 176.3° |
| C2J | C3J | O3J | C4J | 112.5° | 112.7° |
| C2J | C3J | O3J | H3J | 122.3° | 123.7° |
| C2J | C3J | C4J | H3J | 121.5° | 118.2° |
| C2J | C3J | O3J | HO3J | 180.0° | 61.4° |
| C2J | C3J | C4J | O4J | 25.4° | 37.0° |
| C2J | C3J | C4J | C5J | 91.9° | 155.5° |
| C2J | C3J | C4J | H4J | 147.7° | 81.5° |
| H2J | C2J | O2J | HO2J | 58.5° | 61.0° |
| H2J | C2J | C3J | O3J | 150.9° | 102.2° |
| H2J | C2J | C3J | C4J | 93.8° | 139.6° |
| H2J | C2J | C3J | H3J | 31.1° | 21.4° |
| O3J | C3J | C4J | H3J | 119.4° | 123.6° |
| O3J | C3J | C4J | O4J | 93.7° | 155.3° |
| O3J | C3J | C4J | C5J | 149.1° | 86.3° |
| O3J | C3J | C4J | H4J | 28.6° | 36.7° |
| C4J | C3J | O3J | HO3J | 67.5° | 174.1° |
| C3J | C4J | O4J | C5J | 119.0° | 118.5° |
| C3J | C4J | O4J | H4J | 120.7° | 118.5° |
| C3J | C4J | C5J | H4J | 120.8° | 123.0° |
| C3J | C4J | C5J | O5J | 133.8° | 175.0° |
| C3J | C4J | C5J | H5J | 13.8° | 55.0° |
| C3J | C4J | C5J | H5JA | 106.2° | 65.0° |
| H3J | C3J | O3J | HO3J | 57.7° | 62.3° |
| H3J | C3J | C4J | O4J | 146.9° | 81.2° |
| H3J | C3J | C4J | C5J | 29.7° | 37.3° |
| H3J | C3J | C4J | H4J | 90.8° | 160.3° |
| O4J | C4J | C5J | H4J | 122.4° | 123.0° |
| O4J | C4J | C5J | O5J | 109.4° | 71.0° |
| O4J | C4J | C5J | H5J | 130.6° | 169.0° |
| O4J | C4J | C5J | H5JA | 10.6° | 49.1° |
| C4J | C5J | O5J | H5J | 120.0° | 120.0° |
| C4J | C5J | O5J | H5JA | 120.0° | 120.0° |
| C4J | C5J | H5J | H5JA | 120.7° | 120.0° |
| H4J | C4J | C5J | O5J | 13.0° | 52.0° |
| H4J | C4J | C5J | H5J | 107.1° | 68.0° |
| H4J | C4J | C5J | H5JA | 133.0° | 172.0° |
| O5J | C5J | H5J | H5JA | 120.7° | 120.0° |
| H7M | C7M | H7MA | H7MB | 120.0° | 120.0° |
| H9M | C9M | H9MA | H9MB | 119.9° | 120.0° |
| CX2 | CX1 | HX1 | HX1A | 118.5° | 120.0° |
| CX1 | CX2 | OX2 | CX3 | 120.8° | 120.0° |
| CX1 | CX2 | OX2 | HX2 | 118.6° | 120.0° |
| CX1 | CX2 | CX3 | HX2 | 118.6° | 120.0° |
| CX1 | CX2 | OX2 | HOX2 | 180.0° | 60.0° |
| CX1 | CX2 | CX3 | OX3 | 62.1° | 60.0° |
| CX1 | CX2 | CX3 | CX4 | 175.4° | 180.0° |
| CX1 | CX2 | CX3 | HX3 | 55.3° | 60.0° |
| HX1 | CX1 | CX2 | OX2 | 165.8° | 175.0° |
| HX1 | CX1 | CX2 | CX3 | 47.7° | 55.0° |
| HX1 | CX1 | CX2 | HX2 | 72.9° | 65.0° |
| HX1A | CX1 | CX2 | OX2 | 45.8° | 55.0° |
| HX1A | CX1 | CX2 | CX3 | 72.3° | 65.1° |
| HX1A | CX1 | CX2 | HX2 | 167.0° | 175.0° |
| OX2 | CX2 | CX3 | HX2 | 121.2° | 120.0° |
| OX2 | CX2 | CX3 | OX3 | 177.7° | 180.0° |
| OX2 | CX2 | CX3 | CX4 | 55.2° | 60.0° |
| OX2 | CX2 | CX3 | HX3 | 65.0° | 60.0° |
| CX3 | CX2 | OX2 | HOX2 | 59.2° | 60.0° |
| CX2 | CX3 | OX3 | CX4 | 122.1° | 120.0° |
| CX2 | CX3 | OX3 | HX3 | 117.8° | 120.0° |
| CX2 | CX3 | CX4 | HX3 | 118.0° | 120.0° |
| CX2 | CX3 | OX3 | HOX3 | 180.0° | 60.0° |
| CX2 | CX3 | CX4 | OX4 | 155.6° | 60.0° |
| CX2 | CX3 | CX4 | CX5 | 81.9° | 180.0° |
| CX2 | CX3 | CX4 | HX4 | 34.8° | 60.0° |
| HX2 | CX2 | OX2 | HOX2 | 61.4° | 180.0° |
| HX2 | CX2 | CX3 | OX3 | 56.5° | 60.0° |
| HX2 | CX2 | CX3 | CX4 | 66.1° | 60.0° |
| HX2 | CX2 | CX3 | HX3 | 173.8° | 180.0° |
| OX3 | CX3 | CX4 | HX3 | 117.6° | 120.0° |
| OX3 | CX3 | CX4 | OX4 | 80.0° | 180.0° |
| OX3 | CX3 | CX4 | CX5 | 42.5° | 60.0° |
| OX3 | CX3 | CX4 | HX4 | 159.2° | 60.0° |
| CX4 | CX3 | OX3 | HOX3 | 57.9° | 60.0° |
| CX3 | CX4 | OX4 | CX5 | 124.7° | 120.0° |
| CX3 | CX4 | OX4 | HX4 | 118.4° | 120.0° |
| CX3 | CX4 | CX5 | HX4 | 118.0° | 120.0° |
| CX3 | CX4 | OX4 | HOX4 | 180.0° | 60.0° |
| CX3 | CX4 | CX5 | OX5 | 173.4° | 175.0° |
| CX3 | CX4 | CX5 | HX5 | 66.6° | 55.0° |
| CX3 | CX4 | CX5 | HX5A | 53.4° | 65.0° |
| HX3 | CX3 | OX3 | HOX3 | 62.2° | 180.0° |
| HX3 | CX3 | CX4 | OX4 | 37.6° | 60.0° |
| HX3 | CX3 | CX4 | CX5 | 160.1° | 60.0° |
| HX3 | CX3 | CX4 | HX4 | 83.2° | 180.0° |
| OX4 | CX4 | CX5 | HX4 | 120.7° | 120.0° |
| OX4 | CX4 | CX5 | OX5 | 52.1° | 65.0° |
| OX4 | CX4 | CX5 | HX5 | 172.1° | 175.0° |
| OX4 | CX4 | CX5 | HX5A | 67.9° | 55.0° |
| CX5 | CX4 | OX4 | HOX4 | 55.3° | 60.0° |
| CX4 | CX5 | OX5 | HX5 | 120.0° | 120.0° |
| CX4 | CX5 | OX5 | HX5A | 120.0° | 120.0° |
| CX4 | CX5 | HX5 | HX5A | 122.2° | 120.0° |
| HX4 | CX4 | OX4 | HOX4 | 61.6° | 180.0° |
| HX4 | CX4 | CX5 | OX5 | 68.6° | 55.0° |
| HX4 | CX4 | CX5 | HX5 | 51.4° | 65.0° |
| HX4 | CX4 | CX5 | HX5A | 171.4° | 175.0° |
| OX5 | CX5 | HX5 | HX5A | 122.2° | 120.0° |
| C27 | C28 | C29 | H39 | 120.0° | 120.0° |
| C27 | C28 | C29 | H40 | 120.0° | 120.0° |
| C27 | C28 | C29 | C30 | 180.0° | 180.0° |
| C28 | C27 | C31 | H38 | 115.8° | 120.0° |
| C28 | C27 | C31 | O15 | 84.1° | 120.0° |
| C28 | C27 | C31 | O16 | 95.9° | 60.0° |
| C27 | C28 | H39 | H40 | 115.6° | 120.0° |
| C27 | C28 | C29 | H41 | 60.0° | 60.0° |
| C27 | C28 | C29 | H42 | 60.1° | 59.9° |
| C28 | C29 | C30 | H41 | 120.0° | 120.0° |
| C28 | C29 | C30 | H42 | 120.0° | 120.1° |
| C28 | C29 | C30 | O13 | 9.7° | 0.0° |
| C28 | C29 | C30 | O14 | 170.2° | 180.0° |
| C29 | C28 | C27 | C31 | 64.3° | 175.0° |
| C29 | C28 | C27 | H38 | 62.5° | 55.0° |
| C29 | C28 | H39 | H40 | 115.7° | 119.9° |
| C28 | C29 | H41 | H42 | 115.7° | 119.9° |
| C29 | C30 | O13 | O14 | 179.9° | 180.0° |
| C30 | C29 | C28 | H39 | 60.0° | 60.0° |
| C30 | C29 | C28 | H40 | 60.0° | 60.0° |
| C30 | C29 | H41 | H42 | 115.6° | 120.0° |
| C29 | C30 | O14 | H43 | 179.9° | 180.0° |
| O13 | C30 | C29 | H41 | 110.3° | 120.0° |
| O13 | C30 | C29 | H42 | 129.7° | 120.1° |
| O13 | C30 | O14 | H43 | 0.0° | 0.1° |
| O14 | C30 | C29 | H41 | 69.8° | 60.0° |
| O14 | C30 | C29 | H42 | 50.2° | 60.0° |
| C27 | C31 | O15 | O16 | 180.0° | 180.0° |
| C31 | C27 | C28 | H39 | 175.6° | 65.0° |
| C31 | C27 | C28 | H40 | 55.7° | 55.0° |
| C27 | C31 | O16 | H44 | 180.0° | 180.0° |
| O15 | C31 | C27 | H38 | 31.7° | 120.0° |
| O15 | C31 | O16 | H44 | 0.0° | 0.0° |
| O16 | C31 | C27 | H38 | 148.3° | 60.0° |
| H38 | C27 | C28 | H39 | 57.5° | 175.0° |
| H38 | C27 | C28 | H40 | 177.5° | 65.0° |
| H39 | C28 | C29 | H41 | NaN° | 180.0° |
| H39 | C28 | C29 | H42 | 60.0° | 60.1° |
| H40 | C28 | C29 | H41 | 60.0° | 60.1° |
| H40 | C28 | C29 | H42 | 180.0° | 180.0° |
