Obsolete: M60
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | N1 | sing | 1.35Å | 1.32Å | |
| N1 | CA2 | sing | 1.47Å | 1.46Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| CA2 | C20 | sing | 1.51Å | 1.52Å | |
| C20 | O2 | doub | 1.21Å | 1.23Å | |
| C20 | N3 | sing | 1.35Å | 1.33Å | |
| O3 | C30 | doub | 1.21Å | 1.23Å | |
| CA3 | C30 | sing | 1.51Å | 1.52Å | |
| C30 | N4 | sing | 1.35Å | 1.30Å | |
| N3 | CA3 | sing | 1.47Å | 1.45Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| N4 | N5 | sing | 1.40Å | 1.40Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C12 | N5 | sing | 1.47Å | 1.47Å | |
| N5 | C16 | sing | 1.35Å | 1.40Å | |
| O5 | C1 | doub | 1.21Å | 1.23Å | |
| C1 | N6 | sing | 1.35Å | 1.40Å | |
| N6 | C14 | sing | 1.47Å | 1.45Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| C16 | O6 | doub | 1.21Å | 1.24Å | |
| O7 | C17 | sing | 1.34Å | 1.35Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| O8 | C17 | doub | 1.21Å | 1.23Å | |
| O9 | C2 | sing | 1.43Å | 1.43Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| C3 | C16 | sing | 1.51Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H10A | sing | 1.09Å | 1.10Å | |
| O11 | C11 | doub | 1.22Å | 1.23Å | |
| C11 | O21 | sing | 1.35Å | 1.37Å | |
| C17 | C12 | sing | 1.51Å | 1.52Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C64 | C13 | doub | 1.38Å | 1.42Å | Aromatic |
| C13 | C23 | sing | 1.38Å | 1.42Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C77 | sing | 1.53Å | 1.54Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C2 | C1 | sing | 1.51Å | 1.54Å | |
| C21 | C31 | sing | 1.51Å | 1.54Å | |
| C21 | O21 | sing | 1.45Å | 1.46Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C34 | C23 | doub | 1.38Å | 1.42Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C81 | C31 | doub | 1.38Å | 1.45Å | Aromatic |
| C31 | C41 | sing | 1.38Å | 1.46Å | Aromatic |
| C44 | C34 | sing | 1.38Å | 1.43Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C41 | C51 | doub | 1.38Å | 1.45Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C77 | C44 | sing | 1.51Å | 1.51Å | |
| C54 | C44 | doub | 1.38Å | 1.43Å | Aromatic |
| C61 | C51 | sing | 1.38Å | 1.45Å | Aromatic |
| C51 | H51 | sing | 1.08Å | 1.08Å | |
| C54 | C64 | sing | 1.38Å | 1.43Å | Aromatic |
| C54 | H54 | sing | 1.08Å | 1.08Å | |
| C71 | C61 | doub | 1.38Å | 1.45Å | Aromatic |
| C61 | H61 | sing | 1.08Å | 1.08Å | |
| C64 | H64 | sing | 1.08Å | 1.08Å | |
| C81 | C71 | sing | 1.38Å | 1.45Å | Aromatic |
| C71 | H71 | sing | 1.08Å | 1.08Å | |
| C77 | H77 | sing | 1.09Å | 1.10Å | |
| C77 | H77A | sing | 1.09Å | 1.10Å | |
| C81 | H81 | sing | 1.08Å | 1.08Å | |
| C2 | H94 | sing | 1.09Å | 1.10Å | |
| CB2 | CA2 | sing | 1.53Å | 1.54Å | |
| CA2 | HA2 | sing | 1.09Å | 1.10Å | |
| CA3 | CB3 | sing | 1.53Å | 1.54Å | |
| CA3 | HA3 | sing | 1.09Å | 1.10Å | |
| CG2 | CB2 | sing | 1.53Å | 1.53Å | |
| CB2 | HB2 | sing | 1.09Å | 1.10Å | |
| CB2 | HB2A | sing | 1.09Å | 1.10Å | |
| CZ2 | CB3 | sing | 1.53Å | 1.52Å | |
| CZ1 | CB3 | sing | 1.53Å | 1.52Å | |
| CB3 | HB3 | sing | 1.09Å | 1.10Å | |
| OZ1 | CD2 | doub | 1.21Å | 1.25Å | |
| CD2 | OZ2 | sing | 1.34Å | 1.25Å | |
| CD2 | CG2 | sing | 1.51Å | 1.52Å | |
| CG2 | HG2 | sing | 1.09Å | 1.10Å | |
| CG2 | HG2A | sing | 1.09Å | 1.10Å | |
| CZ1 | HZ1 | sing | 1.09Å | 1.10Å | |
| CZ1 | HZ1A | sing | 1.09Å | 1.10Å | |
| CZ1 | HZ1B | sing | 1.09Å | 1.10Å | |
| CZ2 | HZ2 | sing | 1.09Å | 1.10Å | |
| CZ2 | HZ2A | sing | 1.09Å | 1.10Å | |
| CZ2 | HZ2B | sing | 1.09Å | 1.10Å | |
| OZ2 | HOZ2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | N1 | CA2 | 123.3° | 120.0° |
| C11 | N1 | HN1 | 118.3° | 120.0° |
| N1 | C11 | O11 | 148.5° | 119.9° |
| N1 | C11 | O21 | 84.4° | 120.0° |
| CA2 | N1 | HN1 | 118.4° | 120.0° |
| N1 | CA2 | C20 | 110.1° | 109.5° |
| N1 | CA2 | CB2 | 110.7° | 109.4° |
| N1 | CA2 | HA2 | 108.3° | 109.5° |
| CA2 | C20 | O2 | 120.9° | 120.0° |
| CA2 | C20 | N3 | 116.1° | 120.0° |
| C20 | CA2 | CB2 | 109.9° | 109.4° |
| C20 | CA2 | HA2 | 109.2° | 109.5° |
| O2 | C20 | N3 | 123.0° | 120.0° |
| C20 | N3 | CA3 | 121.3° | 120.0° |
| C20 | N3 | HN3 | 119.4° | 120.0° |
| O3 | C30 | CA3 | 121.3° | 120.0° |
| O3 | C30 | N4 | 117.0° | 120.0° |
| CA3 | C30 | N4 | 121.7° | 120.0° |
| C30 | CA3 | N3 | 111.9° | 109.4° |
| C30 | CA3 | CB3 | 108.8° | 109.5° |
| C30 | CA3 | HA3 | 109.0° | 109.5° |
| C30 | N4 | N5 | 148.2° | 120.0° |
| C30 | N4 | HN4 | 105.9° | 120.0° |
| CA3 | N3 | HN3 | 119.4° | 120.0° |
| N3 | CA3 | CB3 | 111.4° | 109.4° |
| N3 | CA3 | HA3 | 106.3° | 109.5° |
| N5 | N4 | HN4 | 105.9° | 120.0° |
| N4 | N5 | C12 | 114.8° | 120.0° |
| N4 | N5 | C16 | 122.3° | 120.0° |
| C12 | N5 | C16 | 122.9° | 120.0° |
| N5 | C12 | C17 | 111.0° | 109.5° |
| N5 | C12 | H12 | 109.0° | 109.4° |
| N5 | C12 | H12A | 108.9° | 109.5° |
| N5 | C16 | O6 | 121.2° | 120.0° |
| N5 | C16 | C3 | 117.0° | 120.0° |
| O5 | C1 | N6 | 124.0° | 120.0° |
| O5 | C1 | C2 | 124.3° | 120.0° |
| C1 | N6 | C14 | 123.7° | 120.0° |
| C1 | N6 | HN6 | 118.2° | 120.0° |
| N6 | C1 | C2 | 111.7° | 120.0° |
| C14 | N6 | HN6 | 118.2° | 120.0° |
| N6 | C14 | C77 | 112.2° | 109.4° |
| N6 | C14 | H14 | 108.6° | 109.5° |
| N6 | C14 | H14A | 108.6° | 109.5° |
| O6 | C16 | C3 | 121.8° | 120.0° |
| C17 | O7 | HO7 | 109.5° | 117.0° |
| O7 | C17 | O8 | 120.3° | 120.0° |
| O7 | C17 | C12 | 112.5° | 120.0° |
| O8 | C17 | C12 | 127.2° | 120.0° |
| C2 | O9 | HO9 | 109.5° | 114.0° |
| O9 | C2 | C3 | 107.8° | 109.5° |
| O9 | C2 | C1 | 109.0° | 109.5° |
| O9 | C2 | H94 | 112.2° | 109.5° |
| C16 | C3 | C2 | 113.4° | 109.4° |
| C16 | C3 | H10 | 108.2° | 109.5° |
| C16 | C3 | H10A | 108.2° | 109.4° |
| C2 | C3 | H10 | 108.2° | 109.5° |
| C2 | C3 | H10A | 108.2° | 109.5° |
| C3 | C2 | C1 | 113.1° | 109.5° |
| C3 | C2 | H94 | 108.0° | 109.5° |
| H10 | C3 | H10A | 110.7° | 109.5° |
| O11 | C11 | O21 | 127.0° | 120.0° |
| C11 | O21 | C21 | 117.7° | 117.0° |
| C17 | C12 | H12 | 109.0° | 109.4° |
| C17 | C12 | H12A | 109.0° | 109.5° |
| H12 | C12 | H12A | 110.0° | 109.5° |
| C64 | C13 | C23 | 120.0° | 120.0° |
| C64 | C13 | H13 | 120.0° | 120.1° |
| C13 | C64 | C54 | 120.3° | 120.0° |
| C13 | C64 | H64 | 119.9° | 120.0° |
| C23 | C13 | H13 | 120.0° | 119.9° |
| C13 | C23 | C34 | 120.0° | 120.0° |
| C13 | C23 | H23 | 120.0° | 120.0° |
| C77 | C14 | H14 | 108.6° | 109.5° |
| C77 | C14 | H14A | 108.6° | 109.5° |
| C14 | C77 | C44 | 112.5° | 109.4° |
| C14 | C77 | H77 | 108.4° | 109.5° |
| C14 | C77 | H77A | 108.4° | 109.5° |
| H14 | C14 | H14A | 110.4° | 109.5° |
| C1 | C2 | H94 | 106.8° | 109.4° |
| C31 | C21 | O21 | 113.5° | 109.5° |
| C31 | C21 | H21 | 108.2° | 109.5° |
| C31 | C21 | H21A | 108.2° | 109.5° |
| C21 | C31 | C81 | 117.7° | 120.0° |
| C21 | C31 | C41 | 123.3° | 120.0° |
| O21 | C21 | H21 | 108.1° | 109.4° |
| O21 | C21 | H21A | 108.1° | 109.5° |
| H21 | C21 | H21A | 110.7° | 109.5° |
| C34 | C23 | H23 | 120.0° | 120.0° |
| C23 | C34 | C44 | 120.8° | 120.0° |
| C23 | C34 | H34 | 119.6° | 120.0° |
| C81 | C31 | C41 | 119.0° | 120.0° |
| C31 | C81 | C71 | 120.8° | 120.0° |
| C31 | C81 | H81 | 119.6° | 120.0° |
| C31 | C41 | C51 | 120.2° | 120.0° |
| C31 | C41 | H41 | 119.9° | 120.0° |
| C44 | C34 | H34 | 119.6° | 120.0° |
| C34 | C44 | C77 | 120.2° | 120.0° |
| C34 | C44 | C54 | 118.9° | 120.0° |
| C51 | C41 | H41 | 119.9° | 120.0° |
| C41 | C51 | C61 | 120.2° | 120.0° |
| C41 | C51 | H51 | 119.9° | 119.9° |
| C77 | C44 | C54 | 120.9° | 120.0° |
| C44 | C77 | H77 | 108.5° | 109.5° |
| C44 | C77 | H77A | 108.5° | 109.4° |
| C44 | C54 | C64 | 120.1° | 120.0° |
| C44 | C54 | H54 | 119.9° | 120.0° |
| C61 | C51 | H51 | 119.9° | 120.0° |
| C51 | C61 | C71 | 119.9° | 120.0° |
| C51 | C61 | H61 | 120.1° | 120.1° |
| C64 | C54 | H54 | 120.0° | 120.0° |
| C54 | C64 | H64 | 119.8° | 120.0° |
| C71 | C61 | H61 | 120.1° | 119.9° |
| C61 | C71 | C81 | 119.9° | 120.0° |
| C61 | C71 | H71 | 120.1° | 120.0° |
| C81 | C71 | H71 | 120.0° | 120.0° |
| C71 | C81 | H81 | 119.6° | 120.0° |
| H77 | C77 | H77A | 110.5° | 109.5° |
| CB2 | CA2 | HA2 | 108.6° | 109.5° |
| CA2 | CB2 | CG2 | 114.1° | 109.4° |
| CA2 | CB2 | HB2 | 107.9° | 109.5° |
| CA2 | CB2 | HB2A | 108.0° | 109.4° |
| CB3 | CA3 | HA3 | 109.5° | 109.5° |
| CA3 | CB3 | CZ2 | 110.1° | 109.5° |
| CA3 | CB3 | CZ1 | 109.9° | 109.5° |
| CA3 | CB3 | HB3 | 109.1° | 109.5° |
| CG2 | CB2 | HB2 | 107.9° | 109.5° |
| CG2 | CB2 | HB2A | 107.9° | 109.5° |
| CB2 | CG2 | CD2 | 113.2° | 109.5° |
| CB2 | CG2 | HG2 | 108.3° | 109.5° |
| CB2 | CG2 | HG2A | 108.2° | 109.5° |
| HB2 | CB2 | HB2A | 111.0° | 109.5° |
| CZ2 | CB3 | CZ1 | 110.5° | 109.5° |
| CZ2 | CB3 | HB3 | 108.5° | 109.5° |
| CB3 | CZ2 | HZ2 | 109.5° | 109.5° |
| CB3 | CZ2 | HZ2A | 109.5° | 109.5° |
| CB3 | CZ2 | HZ2B | 109.4° | 109.4° |
| CZ1 | CB3 | HB3 | 108.7° | 109.4° |
| CB3 | CZ1 | HZ1 | 109.5° | 109.4° |
| CB3 | CZ1 | HZ1A | 109.5° | 109.5° |
| CB3 | CZ1 | HZ1B | 109.4° | 109.5° |
| OZ1 | CD2 | OZ2 | 122.9° | 120.0° |
| OZ1 | CD2 | CG2 | 118.1° | 120.0° |
| OZ2 | CD2 | CG2 | 119.0° | 120.0° |
| CD2 | OZ2 | HOZ2 | 109.5° | 117.0° |
| CD2 | CG2 | HG2 | 108.2° | 109.4° |
| CD2 | CG2 | HG2A | 108.3° | 109.4° |
| HG2 | CG2 | HG2A | 110.7° | 109.5° |
| HZ1 | CZ1 | HZ1A | 109.5° | 109.5° |
| HZ1 | CZ1 | HZ1B | 109.5° | 109.4° |
| HZ1A | CZ1 | HZ1B | 109.5° | 109.5° |
| HZ2 | CZ2 | HZ2A | 109.4° | 109.5° |
| HZ2 | CZ2 | HZ2B | 109.4° | 109.5° |
| HZ2A | CZ2 | HZ2B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | N1 | CA2 | HN1 | 180.0° | 179.8° |
| C11 | N1 | CA2 | C20 | 141.5° | 155.3° |
| N1 | C11 | O11 | O21 | 176.7° | 180.0° |
| N1 | C11 | O21 | C21 | 177.6° | 180.0° |
| C11 | N1 | CA2 | CB2 | 96.8° | 84.8° |
| C11 | N1 | CA2 | HA2 | 22.1° | 35.2° |
| N1 | CA2 | C20 | CB2 | 122.2° | 119.9° |
| N1 | CA2 | C20 | HA2 | 118.8° | 120.1° |
| N1 | CA2 | C20 | O2 | 43.2° | 0.1° |
| N1 | CA2 | C20 | N3 | 136.5° | 180.0° |
| CA2 | N1 | C11 | O11 | 2.2° | 0.0° |
| CA2 | N1 | C11 | O21 | 179.6° | 180.0° |
| N1 | CA2 | CB2 | HA2 | 118.8° | 120.0° |
| N1 | CA2 | CB2 | CG2 | 74.2° | 65.1° |
| N1 | CA2 | CB2 | HB2 | 45.8° | 54.9° |
| N1 | CA2 | CB2 | HB2A | 165.8° | 175.0° |
| HN1 | N1 | CA2 | C20 | 38.6° | 24.9° |
| HN1 | N1 | C11 | O11 | 177.8° | 179.7° |
| HN1 | N1 | C11 | O21 | 0.4° | 0.3° |
| HN1 | N1 | CA2 | CB2 | 83.2° | 95.0° |
| HN1 | N1 | CA2 | HA2 | 157.9° | 145.0° |
| CA2 | C20 | O2 | N3 | 179.7° | 179.9° |
| CA2 | C20 | N3 | CA3 | 179.9° | 180.0° |
| CA2 | C20 | N3 | HN3 | 0.1° | 0.1° |
| C20 | CA2 | CB2 | HA2 | 119.3° | 120.0° |
| C20 | CA2 | CB2 | CG2 | 163.9° | 175.0° |
| C20 | CA2 | CB2 | HB2 | 76.1° | 65.0° |
| C20 | CA2 | CB2 | HB2A | 43.9° | 55.0° |
| O2 | C20 | N3 | CA3 | 0.2° | 0.0° |
| O2 | C20 | N3 | HN3 | 179.8° | 180.0° |
| O2 | C20 | CA2 | CB2 | 79.0° | 120.0° |
| O2 | C20 | CA2 | HA2 | 162.1° | 120.0° |
| C20 | N3 | CA3 | C30 | 106.4° | 155.0° |
| C20 | N3 | CA3 | HN3 | 180.0° | 180.0° |
| N3 | C20 | CA2 | CB2 | 101.3° | 60.1° |
| N3 | C20 | CA2 | HA2 | 17.7° | 59.9° |
| C20 | N3 | CA3 | CB3 | 131.7° | 85.0° |
| C20 | N3 | CA3 | HA3 | 12.4° | 35.0° |
| O3 | C30 | CA3 | N4 | 179.8° | 180.0° |
| O3 | C30 | CA3 | N3 | 24.9° | 15.7° |
| O3 | C30 | N4 | N5 | 0.4° | 5.7° |
| O3 | C30 | N4 | HN4 | 179.6° | 174.4° |
| O3 | C30 | CA3 | CB3 | 98.6° | 104.2° |
| O3 | C30 | CA3 | HA3 | 142.1° | 135.7° |
| C30 | CA3 | N3 | CB3 | 121.9° | 120.0° |
| C30 | CA3 | N3 | HA3 | 118.8° | 120.0° |
| C30 | CA3 | N3 | HN3 | 73.6° | 25.0° |
| CA3 | C30 | N4 | N5 | 179.5° | 174.4° |
| CA3 | C30 | N4 | HN4 | 0.5° | 5.5° |
| C30 | CA3 | CB3 | HA3 | 119.0° | 120.0° |
| C30 | CA3 | CB3 | CZ2 | 67.1° | 175.1° |
| C30 | CA3 | CB3 | CZ1 | 171.0° | 64.8° |
| C30 | CA3 | CB3 | HB3 | 51.9° | 55.1° |
| N4 | C30 | CA3 | N3 | 155.3° | 164.2° |
| C30 | N4 | N5 | HN4 | 180.0° | 179.9° |
| C30 | N4 | N5 | C12 | 108.1° | 74.9° |
| C30 | N4 | N5 | C16 | 72.2° | 105.0° |
| N4 | C30 | CA3 | CB3 | 81.3° | 75.8° |
| N4 | C30 | CA3 | HA3 | 38.1° | 44.2° |
| N3 | CA3 | CB3 | HA3 | 117.3° | 120.0° |
| N3 | CA3 | CB3 | CZ2 | 56.6° | 55.1° |
| N3 | CA3 | CB3 | CZ1 | 65.3° | 175.2° |
| N3 | CA3 | CB3 | HB3 | 175.6° | 64.9° |
| HN3 | N3 | CA3 | CB3 | 48.3° | 95.0° |
| HN3 | N3 | CA3 | HA3 | 167.6° | 145.0° |
| N4 | N5 | C12 | C16 | 179.7° | 179.9° |
| N4 | N5 | C16 | O6 | 179.6° | 179.9° |
| N4 | N5 | C16 | C3 | 0.6° | 0.1° |
| N4 | N5 | C12 | C17 | 79.7° | 95.0° |
| N4 | N5 | C12 | H12 | 40.3° | 145.1° |
| N4 | N5 | C12 | H12A | 160.2° | 25.1° |
| HN4 | N4 | N5 | C12 | 71.9° | 105.0° |
| HN4 | N4 | N5 | C16 | 107.8° | 75.1° |
| C12 | N5 | C16 | O6 | 0.0° | 0.0° |
| N5 | C12 | C17 | O7 | 161.8° | 180.0° |
| N5 | C12 | C17 | O8 | 18.3° | 0.1° |
| C12 | N5 | C16 | C3 | 179.1° | 180.0° |
| N5 | C12 | C17 | H12 | 120.0° | 119.9° |
| N5 | C12 | C17 | H12A | 120.0° | 120.1° |
| N5 | C12 | H12 | H12A | 119.3° | 120.0° |
| N5 | C16 | O6 | C3 | 179.0° | 180.0° |
| N5 | C16 | C3 | C2 | 178.7° | 180.0° |
| N5 | C16 | C3 | H10 | 61.3° | 60.0° |
| N5 | C16 | C3 | H10A | 58.7° | 60.0° |
| C16 | N5 | C12 | C17 | 100.6° | 84.9° |
| C16 | N5 | C12 | H12 | 139.4° | 35.0° |
| C16 | N5 | C12 | H12A | 19.5° | 155.0° |
| O5 | C1 | N6 | C2 | 180.0° | 179.9° |
| O5 | C1 | N6 | C14 | 0.1° | 0.0° |
| O5 | C1 | N6 | HN6 | 179.9° | 180.0° |
| O5 | C1 | C2 | O9 | 72.1° | 5.0° |
| O5 | C1 | C2 | C3 | 47.8° | 115.0° |
| O5 | C1 | C2 | H94 | 166.5° | 125.0° |
| C1 | N6 | C14 | HN6 | 180.0° | 180.0° |
| N6 | C1 | C2 | O9 | 107.9° | 175.0° |
| N6 | C1 | C2 | C3 | 132.2° | 65.0° |
| C1 | N6 | C14 | C77 | 146.9° | 180.0° |
| C1 | N6 | C14 | H14 | 93.1° | 60.1° |
| C1 | N6 | C14 | H14A | 26.9° | 60.0° |
| N6 | C1 | C2 | H94 | 13.5° | 55.0° |
| N6 | C14 | C77 | H14 | 120.0° | 120.0° |
| N6 | C14 | C77 | H14A | 120.0° | 120.0° |
| N6 | C14 | H14 | H14A | 118.9° | 120.0° |
| C14 | N6 | C1 | C2 | 179.9° | 180.0° |
| N6 | C14 | C77 | C44 | 179.4° | 180.0° |
| N6 | C14 | C77 | H77 | 60.6° | 60.0° |
| N6 | C14 | C77 | H77A | 59.4° | 60.0° |
| HN6 | N6 | C14 | C77 | 33.1° | 0.0° |
| HN6 | N6 | C14 | H14 | 86.8° | 120.0° |
| HN6 | N6 | C14 | H14A | 153.1° | 120.0° |
| HN6 | N6 | C1 | C2 | 0.1° | 0.0° |
| O6 | C16 | C3 | C2 | 2.3° | 0.0° |
| O6 | C16 | C3 | H10 | 117.8° | 120.0° |
| O6 | C16 | C3 | H10A | 122.2° | 120.0° |
| O7 | C17 | O8 | C12 | 180.0° | 180.0° |
| O7 | C17 | C12 | H12 | 41.7° | 60.1° |
| O7 | C17 | C12 | H12A | 78.3° | 60.0° |
| HO7 | O7 | C17 | O8 | 0.0° | 0.0° |
| HO7 | O7 | C17 | C12 | 180.0° | 180.0° |
| O8 | C17 | C12 | H12 | 138.3° | 120.0° |
| O8 | C17 | C12 | H12A | 101.7° | 120.0° |
| O9 | C2 | C3 | C16 | 83.3° | 65.0° |
| O9 | C2 | C3 | C1 | 120.6° | 120.0° |
| O9 | C2 | C3 | H94 | 121.4° | 120.1° |
| O9 | C2 | C3 | H10 | 156.7° | 175.0° |
| O9 | C2 | C3 | H10A | 36.7° | 55.0° |
| O9 | C2 | C1 | H94 | 121.4° | 120.0° |
| HO9 | O9 | C2 | C3 | 180.0° | 60.0° |
| HO9 | O9 | C2 | C1 | 56.8° | 60.0° |
| HO9 | O9 | C2 | H94 | 61.2° | 180.0° |
| C16 | C3 | C2 | H10 | 120.0° | 120.0° |
| C16 | C3 | C2 | H10A | 120.0° | 120.0° |
| C16 | C3 | H10 | H10A | 118.4° | 120.0° |
| C16 | C3 | C2 | C1 | 156.1° | 175.0° |
| C16 | C3 | C2 | H94 | 38.1° | 55.0° |
| C2 | C3 | H10 | H10A | 118.4° | 120.0° |
| C3 | C2 | C1 | H94 | 118.6° | 120.0° |
| H10 | C3 | C2 | C1 | 36.1° | 55.0° |
| H10 | C3 | C2 | H94 | 81.9° | 65.0° |
| H10A | C3 | C2 | C1 | 83.9° | 65.0° |
| H10A | C3 | C2 | H94 | 158.1° | 175.0° |
| O11 | C11 | O21 | C21 | 0.7° | 0.0° |
| C11 | O21 | C21 | C31 | 179.5° | 180.0° |
| C11 | O21 | C21 | H21 | 59.4° | 60.0° |
| C11 | O21 | C21 | H21A | 60.5° | 60.0° |
| C17 | C12 | H12 | H12A | 119.4° | 120.1° |
| C64 | C13 | C23 | H13 | 180.0° | 179.7° |
| C64 | C13 | C23 | C34 | 0.1° | 0.3° |
| C64 | C13 | C23 | H23 | 179.9° | 179.7° |
| C13 | C64 | C54 | C44 | 0.1° | 0.6° |
| C13 | C64 | C54 | H64 | 180.0° | 179.4° |
| C13 | C64 | C54 | H54 | 179.9° | 179.8° |
| C13 | C23 | C34 | H23 | 180.0° | 180.0° |
| C13 | C23 | C34 | C44 | 0.0° | 0.1° |
| C13 | C23 | C34 | H34 | 180.0° | 180.0° |
| C23 | C13 | C64 | C54 | 0.1° | 0.6° |
| C23 | C13 | C64 | H64 | 180.0° | 180.0° |
| H13 | C13 | C23 | C34 | 179.9° | 179.9° |
| H13 | C13 | C23 | H23 | 0.1° | 0.0° |
| H13 | C13 | C64 | C54 | 179.9° | 179.7° |
| H13 | C13 | C64 | H64 | 0.0° | 0.3° |
| C77 | C14 | H14 | H14A | 118.9° | 120.0° |
| C14 | C77 | C44 | C34 | 99.6° | 90.0° |
| C14 | C77 | C44 | H77 | 120.0° | 120.0° |
| C14 | C77 | C44 | H77A | 120.0° | 120.0° |
| C14 | C77 | C44 | C54 | 80.4° | 90.0° |
| C14 | C77 | H77 | H77A | 118.7° | 120.0° |
| H14 | C14 | C77 | C44 | 59.4° | 60.0° |
| H14 | C14 | C77 | H77 | 179.4° | NaN° |
| H14 | C14 | C77 | H77A | 60.6° | 60.0° |
| H14A | C14 | C77 | C44 | 60.7° | 60.0° |
| H14A | C14 | C77 | H77 | 59.3° | 60.0° |
| H14A | C14 | C77 | H77A | 179.3° | 180.0° |
| C31 | C21 | O21 | H21 | 120.0° | 120.0° |
| C31 | C21 | O21 | H21A | 120.0° | 120.0° |
| C31 | C21 | H21 | H21A | 118.4° | 120.0° |
| C21 | C31 | C81 | C41 | 179.9° | 179.7° |
| C21 | C31 | C41 | C51 | 179.9° | 180.0° |
| C21 | C31 | C41 | H41 | 0.1° | 0.1° |
| C21 | C31 | C81 | C71 | 179.9° | 179.7° |
| C21 | C31 | C81 | H81 | 0.1° | 0.1° |
| O21 | C21 | H21 | H21A | 118.3° | 120.0° |
| O21 | C21 | C31 | C81 | 179.7° | 90.3° |
| O21 | C21 | C31 | C41 | 0.4° | 90.0° |
| H21 | C21 | C31 | C81 | 60.3° | 149.7° |
| H21 | C21 | C31 | C41 | 119.6° | 29.9° |
| H21A | C21 | C31 | C81 | 59.7° | 29.7° |
| H21A | C21 | C31 | C41 | 120.4° | 150.0° |
| C23 | C34 | C44 | H34 | 180.0° | 180.0° |
| C23 | C34 | C44 | C77 | 179.8° | 180.0° |
| C23 | C34 | C44 | C54 | 0.2° | 0.1° |
| H23 | C23 | C34 | C44 | 180.0° | 180.0° |
| H23 | C23 | C34 | H34 | 0.0° | 0.0° |
| C81 | C31 | C41 | C51 | 0.0° | 0.3° |
| C81 | C31 | C41 | H41 | 180.0° | 179.7° |
| C31 | C81 | C71 | C61 | 0.1° | 0.6° |
| C31 | C81 | C71 | H81 | 180.0° | 179.7° |
| C31 | C81 | C71 | H71 | 179.9° | 179.7° |
| C31 | C41 | C51 | H41 | 180.0° | 180.0° |
| C31 | C41 | C51 | C61 | 0.0° | 0.0° |
| C31 | C41 | C51 | H51 | 180.0° | 179.9° |
| C41 | C31 | C81 | C71 | 0.0° | 0.6° |
| C41 | C31 | C81 | H81 | 180.0° | 179.7° |
| C34 | C44 | C77 | C54 | 180.0° | 179.9° |
| C34 | C44 | C54 | C64 | 0.2° | 0.4° |
| C34 | C44 | C54 | H54 | 179.8° | 180.0° |
| C34 | C44 | C77 | H77 | 140.5° | 29.9° |
| C34 | C44 | C77 | H77A | 20.4° | 150.0° |
| H34 | C34 | C44 | C77 | 0.2° | 0.0° |
| H34 | C34 | C44 | C54 | 179.8° | 180.0° |
| C41 | C51 | C61 | H51 | 180.0° | 179.9° |
| C41 | C51 | C61 | C71 | 0.1° | 0.0° |
| C41 | C51 | C61 | H61 | 179.9° | 180.0° |
| H41 | C41 | C51 | C61 | 180.0° | 179.9° |
| H41 | C41 | C51 | H51 | 0.0° | 0.0° |
| C77 | C44 | C54 | C64 | 179.7° | 179.7° |
| C77 | C44 | C54 | H54 | 0.3° | 0.1° |
| C44 | C77 | H77 | H77A | 118.8° | 120.0° |
| C44 | C54 | C64 | H54 | 180.0° | 179.6° |
| C44 | C54 | C64 | H64 | 179.9° | 180.0° |
| C54 | C44 | C77 | H77 | 39.6° | 150.0° |
| C54 | C44 | C77 | H77A | 159.6° | 29.9° |
| C51 | C61 | C71 | H61 | 180.0° | 180.0° |
| C51 | C61 | C71 | C81 | 0.1° | 0.2° |
| C51 | C61 | C71 | H71 | 179.9° | 180.0° |
| H51 | C51 | C61 | C71 | 179.9° | 180.0° |
| H51 | C51 | C61 | H61 | 0.1° | 0.0° |
| H54 | C54 | C64 | H64 | 0.1° | 0.4° |
| C61 | C71 | C81 | H71 | 180.0° | 179.7° |
| C61 | C71 | C81 | H81 | 179.9° | 179.7° |
| H61 | C61 | C71 | C81 | 179.8° | 179.8° |
| H61 | C61 | C71 | H71 | 0.1° | 0.0° |
| H71 | C71 | C81 | H81 | 0.1° | 0.0° |
| CA2 | CB2 | CG2 | HB2 | 120.0° | 120.0° |
| CA2 | CB2 | CG2 | HB2A | 120.0° | 119.9° |
| CA2 | CB2 | HB2 | HB2A | 118.1° | 120.0° |
| CA2 | CB2 | CG2 | CD2 | 179.8° | 180.0° |
| CA2 | CB2 | CG2 | HG2 | 59.9° | 60.0° |
| CA2 | CB2 | CG2 | HG2A | 60.2° | 60.1° |
| HA2 | CA2 | CB2 | CG2 | 44.6° | 55.0° |
| HA2 | CA2 | CB2 | HB2 | 164.6° | 175.0° |
| HA2 | CA2 | CB2 | HB2A | 75.4° | 65.0° |
| CA3 | CB3 | CZ2 | CZ1 | 121.5° | 120.0° |
| CA3 | CB3 | CZ2 | HB3 | 119.3° | 120.0° |
| CA3 | CB3 | CZ1 | HB3 | 119.3° | 119.9° |
| CA3 | CB3 | CZ1 | HZ1 | 180.0° | 54.8° |
| CA3 | CB3 | CZ1 | HZ1A | 60.0° | 174.8° |
| CA3 | CB3 | CZ1 | HZ1B | 60.0° | 65.1° |
| CA3 | CB3 | CZ2 | HZ2 | 180.0° | 60.0° |
| CA3 | CB3 | CZ2 | HZ2A | 60.0° | 180.0° |
| CA3 | CB3 | CZ2 | HZ2B | 60.0° | 60.0° |
| HA3 | CA3 | CB3 | CZ2 | 173.9° | 64.8° |
| HA3 | CA3 | CB3 | CZ1 | 52.0° | 55.2° |
| HA3 | CA3 | CB3 | HB3 | 67.2° | 175.1° |
| CG2 | CB2 | HB2 | HB2A | 118.1° | 120.0° |
| CB2 | CG2 | CD2 | OZ1 | 123.4° | 0.0° |
| CB2 | CG2 | CD2 | OZ2 | 56.9° | 180.0° |
| CB2 | CG2 | CD2 | HG2 | 120.0° | 120.0° |
| CB2 | CG2 | CD2 | HG2A | 120.0° | 120.0° |
| CB2 | CG2 | HG2 | HG2A | 118.5° | 120.0° |
| HB2 | CB2 | CG2 | CD2 | 60.2° | 60.0° |
| HB2 | CB2 | CG2 | HG2 | 179.9° | 180.0° |
| HB2 | CB2 | CG2 | HG2A | 59.8° | 60.0° |
| HB2A | CB2 | CG2 | CD2 | 59.8° | 60.0° |
| HB2A | CB2 | CG2 | HG2 | 60.1° | 59.9° |
| HB2A | CB2 | CG2 | HG2A | 179.8° | 180.0° |
| CZ2 | CB3 | CZ1 | HB3 | 119.0° | 120.0° |
| CZ2 | CB3 | CZ1 | HZ1 | 58.3° | 65.2° |
| CZ2 | CB3 | CZ1 | HZ1A | 178.3° | 54.7° |
| CZ2 | CB3 | CZ1 | HZ1B | 61.7° | 174.8° |
| CB3 | CZ2 | HZ2 | HZ2A | 120.0° | 120.0° |
| CB3 | CZ2 | HZ2 | HZ2B | 120.0° | 120.0° |
| CB3 | CZ2 | HZ2A | HZ2B | 120.0° | 119.9° |
| CB3 | CZ1 | HZ1 | HZ1A | 120.0° | 120.0° |
| CB3 | CZ1 | HZ1 | HZ1B | 120.0° | 120.0° |
| CB3 | CZ1 | HZ1A | HZ1B | 120.0° | 120.1° |
| CZ1 | CB3 | CZ2 | HZ2 | 58.4° | 180.0° |
| CZ1 | CB3 | CZ2 | HZ2A | 61.5° | 59.9° |
| CZ1 | CB3 | CZ2 | HZ2B | 178.4° | 60.0° |
| HB3 | CB3 | CZ1 | HZ1 | 60.7° | 174.8° |
| HB3 | CB3 | CZ1 | HZ1A | 59.3° | 65.3° |
| HB3 | CB3 | CZ1 | HZ1B | 179.3° | 54.8° |
| HB3 | CB3 | CZ2 | HZ2 | 60.7° | 60.0° |
| HB3 | CB3 | CZ2 | HZ2A | 179.3° | 60.0° |
| HB3 | CB3 | CZ2 | HZ2B | 59.3° | 180.0° |
| OZ1 | CD2 | OZ2 | CG2 | 179.8° | 180.0° |
| OZ1 | CD2 | CG2 | HG2 | 116.6° | 120.0° |
| OZ1 | CD2 | CG2 | HG2A | 3.4° | 120.0° |
| OZ1 | CD2 | OZ2 | HOZ2 | 0.0° | 0.0° |
| OZ2 | CD2 | CG2 | HG2 | 63.1° | 60.0° |
| OZ2 | CD2 | CG2 | HG2A | 176.9° | 60.0° |
| CD2 | CG2 | HG2 | HG2A | 118.5° | 120.0° |
| CG2 | CD2 | OZ2 | HOZ2 | 179.7° | 180.0° |
| HZ1 | CZ1 | HZ1A | HZ1B | 120.0° | 120.0° |
| HZ2 | CZ2 | HZ2A | HZ2B | 120.0° | 120.0° |
