A00
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C38 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.40Å | Aromatic |
| C37 | C36 | sing | 1.38Å | 1.40Å | Aromatic |
| C39 | C40 | doub | 1.38Å | 1.40Å | Aromatic |
| C36 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C40 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | C28 | sing | 1.51Å | 1.50Å | |
| N16 | C13 | sing | 1.40Å | 1.36Å | |
| C32 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C31 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | C28 | sing | 1.51Å | 1.49Å | |
| C29 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| O26 | C24 | doub | 1.22Å | 1.22Å | |
| C28 | C21 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | N22 | sing | 1.35Å | 1.33Å | |
| C24 | O25 | sing | 1.35Å | 1.45Å | |
| C15 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | S | sing | 1.76Å | 1.61Å | |
| O8 | S | doub | 1.42Å | 1.44Å | |
| C21 | N22 | sing | 1.46Å | 1.45Å | |
| C21 | C20 | sing | 1.51Å | 1.50Å | |
| O25 | C27 | sing | 1.45Å | 1.42Å | |
| S | O9 | doub | 1.42Å | 1.43Å | |
| S | N | sing | 1.66Å | 1.53Å | |
| C20 | N19 | sing | 1.35Å | 1.33Å | |
| C20 | O23 | doub | 1.21Å | 1.22Å | |
| N19 | C18 | sing | 1.47Å | 1.45Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | C2 | sing | 1.53Å | 1.53Å | |
| N | C | sing | 1.46Å | 1.48Å | |
| N | C4 | sing | 1.47Å | 1.48Å | |
| C | C3 | sing | 1.53Å | 1.53Å | |
| C | C1 | sing | 1.53Å | 1.53Å | |
| O | C3 | sing | 1.43Å | 1.43Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C7 | sing | 1.53Å | 1.52Å | |
| C3 | H31A | sing | 1.09Å | 1.10Å | |
| C3 | H32A | sing | 1.09Å | 1.10Å | |
| C1 | H11A | sing | 1.09Å | 1.10Å | |
| C1 | H12A | sing | 1.09Å | 1.10Å | |
| C2 | H21A | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H63 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H73 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| N22 | HN22 | sing | 0.97Å | 1.00Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| N19 | HN19 | sing | 0.97Å | 1.00Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| O | HO | sing | 0.97Å | 0.95Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| N16 | H161 | sing | 0.97Å | 1.00Å | |
| N16 | H162 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C37 | C38 | C39 | 119.9° | 120.0° |
| C38 | C37 | C36 | 120.0° | 120.0° |
| C37 | C38 | H38 | 120.1° | 120.0° |
| C38 | C37 | H37 | 120.0° | 119.9° |
| C38 | C39 | C40 | 120.0° | 120.0° |
| C38 | C39 | H39 | 120.0° | 120.0° |
| C39 | C38 | H38 | 120.1° | 120.0° |
| C37 | C36 | C30 | 120.3° | 120.0° |
| C36 | C37 | H37 | 120.0° | 120.1° |
| C37 | C36 | H36 | 119.9° | 120.0° |
| C39 | C40 | C30 | 120.4° | 120.0° |
| C39 | C40 | H40 | 119.8° | 120.0° |
| C40 | C39 | H39 | 120.0° | 120.0° |
| C36 | C30 | C40 | 119.3° | 120.0° |
| C36 | C30 | C28 | 122.5° | 120.0° |
| C30 | C36 | H36 | 119.8° | 120.0° |
| C40 | C30 | C28 | 118.2° | 120.0° |
| C30 | C40 | H40 | 119.8° | 120.0° |
| C30 | C28 | C29 | 109.2° | 109.5° |
| C30 | C28 | C21 | 114.9° | 109.5° |
| C30 | C28 | H28 | 106.9° | 109.5° |
| N16 | C13 | C12 | 120.8° | 120.1° |
| N16 | C13 | C14 | 119.7° | 120.1° |
| C13 | N16 | H161 | 109.5° | 120.0° |
| C13 | N16 | H162 | 109.4° | 119.9° |
| C31 | C32 | C33 | 119.9° | 120.0° |
| C32 | C31 | C29 | 120.4° | 120.0° |
| C31 | C32 | H32 | 120.1° | 120.0° |
| C32 | C31 | H31 | 119.8° | 120.0° |
| C32 | C33 | C34 | 120.0° | 120.0° |
| C32 | C33 | H33 | 120.0° | 120.0° |
| C33 | C32 | H32 | 120.0° | 120.0° |
| C31 | C29 | C28 | 122.3° | 120.0° |
| C31 | C29 | C35 | 119.3° | 120.0° |
| C29 | C31 | H31 | 119.8° | 120.0° |
| C12 | C13 | C14 | 119.5° | 119.8° |
| C13 | C12 | C11 | 120.2° | 120.0° |
| C13 | C12 | H12 | 119.9° | 120.0° |
| C13 | C14 | C15 | 120.1° | 119.9° |
| C13 | C14 | H14 | 120.0° | 120.0° |
| C33 | C34 | C35 | 119.8° | 120.0° |
| C33 | C34 | H34 | 120.1° | 120.0° |
| C34 | C33 | H33 | 120.0° | 120.0° |
| C12 | C11 | C10 | 120.7° | 120.1° |
| C11 | C12 | H12 | 119.9° | 120.0° |
| C12 | C11 | H11 | 119.7° | 120.0° |
| C28 | C29 | C35 | 118.4° | 120.0° |
| C29 | C28 | C21 | 112.4° | 109.5° |
| C29 | C28 | H28 | 109.7° | 109.4° |
| C29 | C35 | C34 | 120.6° | 120.0° |
| C29 | C35 | H35 | 119.7° | 120.0° |
| O26 | C24 | N22 | 122.8° | 120.0° |
| O26 | C24 | O25 | 118.4° | 120.0° |
| C28 | C21 | N22 | 111.2° | 109.5° |
| C28 | C21 | C20 | 110.5° | 109.5° |
| C28 | C21 | H21 | 107.2° | 109.4° |
| C21 | C28 | H28 | 103.4° | 109.4° |
| C14 | C15 | C10 | 121.0° | 120.1° |
| C14 | C15 | H15 | 119.5° | 120.0° |
| C15 | C14 | H14 | 120.0° | 120.0° |
| C34 | C35 | H35 | 119.7° | 120.0° |
| C35 | C34 | H34 | 120.1° | 120.0° |
| C11 | C10 | C15 | 118.5° | 120.2° |
| C11 | C10 | S | 120.8° | 119.9° |
| C10 | C11 | H11 | 119.6° | 119.9° |
| N22 | C24 | O25 | 118.8° | 120.0° |
| C24 | N22 | C21 | 123.4° | 120.0° |
| C24 | N22 | HN22 | 118.3° | 119.9° |
| C24 | O25 | C27 | 117.2° | 117.0° |
| C15 | C10 | S | 120.6° | 119.9° |
| C10 | C15 | H15 | 119.5° | 120.0° |
| C10 | S | O8 | 110.2° | 106.4° |
| C10 | S | O9 | 111.2° | 106.4° |
| C10 | S | N | 105.4° | 107.2° |
| O8 | S | O9 | 107.6° | 123.1° |
| O8 | S | N | 111.5° | 106.4° |
| N22 | C21 | C20 | 108.2° | 109.5° |
| C21 | N22 | HN22 | 118.3° | 120.0° |
| N22 | C21 | H21 | 109.5° | 109.5° |
| C21 | C20 | N19 | 115.9° | 120.0° |
| C21 | C20 | O23 | 119.9° | 120.0° |
| C20 | C21 | H21 | 110.3° | 109.5° |
| O25 | C27 | H271 | 109.5° | 109.4° |
| O25 | C27 | H272 | 109.5° | 109.5° |
| O25 | C27 | H273 | 109.5° | 109.5° |
| O9 | S | N | 111.0° | 106.4° |
| S | N | C | 120.4° | 120.0° |
| S | N | C4 | 119.7° | 120.0° |
| N19 | C20 | O23 | 124.2° | 120.0° |
| C20 | N19 | C18 | 124.4° | 120.0° |
| C20 | N19 | HN19 | 117.8° | 120.0° |
| N19 | C18 | C17 | 110.5° | 109.5° |
| C18 | N19 | HN19 | 117.8° | 120.0° |
| N19 | C18 | H181 | 109.1° | 109.4° |
| N19 | C18 | H182 | 108.9° | 109.5° |
| C18 | C17 | C2 | 111.7° | 109.5° |
| C17 | C18 | H181 | 109.1° | 109.5° |
| C17 | C18 | H182 | 108.9° | 109.5° |
| C18 | C17 | H171 | 108.7° | 109.5° |
| C18 | C17 | H172 | 108.2° | 109.5° |
| C17 | C2 | C1 | 112.3° | 109.5° |
| C17 | C2 | H21A | 108.5° | 109.5° |
| C17 | C2 | H22 | 107.9° | 109.4° |
| C2 | C17 | H171 | 108.7° | 109.4° |
| C2 | C17 | H172 | 108.2° | 109.4° |
| C | N | C4 | 119.5° | 120.0° |
| N | C | C3 | 106.7° | 109.5° |
| N | C | C1 | 111.7° | 109.5° |
| N | C | H | 110.4° | 109.5° |
| N | C4 | C5 | 115.9° | 109.5° |
| N | C4 | H41 | 107.4° | 109.5° |
| N | C4 | H42 | 105.9° | 109.4° |
| C3 | C | C1 | 111.0° | 109.5° |
| C | C3 | O | 111.0° | 109.5° |
| C | C3 | H31A | 109.0° | 109.5° |
| C | C3 | H32A | 108.6° | 109.5° |
| C3 | C | H | 111.1° | 109.5° |
| C | C1 | C2 | 112.9° | 109.4° |
| C | C1 | H11A | 108.3° | 109.4° |
| C | C1 | H12A | 107.6° | 109.5° |
| C1 | C | H | 106.1° | 109.4° |
| O | C3 | H31A | 108.9° | 109.4° |
| O | C3 | H32A | 108.6° | 109.5° |
| C3 | O | HO | 109.5° | 114.1° |
| C2 | C1 | H11A | 108.4° | 109.5° |
| C2 | C1 | H12A | 107.5° | 109.5° |
| C1 | C2 | H21A | 108.5° | 109.5° |
| C1 | C2 | H22 | 107.9° | 109.5° |
| C4 | C5 | C6 | 114.7° | 109.5° |
| C4 | C5 | C7 | 107.4° | 109.5° |
| C5 | C4 | H41 | 107.4° | 109.5° |
| C5 | C4 | H42 | 105.9° | 109.5° |
| C4 | C5 | H5 | 107.5° | 109.5° |
| C6 | C5 | C7 | 110.1° | 109.5° |
| C6 | C5 | H5 | 104.7° | 109.5° |
| C5 | C6 | H61 | 109.5° | 109.5° |
| C5 | C6 | H62 | 109.5° | 109.5° |
| C5 | C6 | H63 | 109.5° | 109.4° |
| C7 | C5 | H5 | 112.4° | 109.5° |
| C5 | C7 | H71 | 109.5° | 109.5° |
| C5 | C7 | H72 | 109.5° | 109.5° |
| C5 | C7 | H73 | 109.4° | 109.5° |
| H31A | C3 | H32A | 110.7° | 109.4° |
| H11A | C1 | H12A | 112.2° | 109.5° |
| H21A | C2 | H22 | 111.7° | 109.5° |
| H41 | C4 | H42 | 114.6° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| H61 | C6 | H63 | 109.4° | 109.5° |
| H62 | C6 | H63 | 109.5° | 109.4° |
| H71 | C7 | H72 | 109.4° | 109.5° |
| H71 | C7 | H73 | 109.4° | 109.4° |
| H72 | C7 | H73 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H271 | C27 | H273 | 109.5° | 109.4° |
| H272 | C27 | H273 | 109.5° | 109.5° |
| H181 | C18 | H182 | 110.3° | 109.4° |
| H171 | C17 | H172 | 111.3° | 109.4° |
| H161 | N16 | H162 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C37 | C38 | C39 | H38 | 180.0° | 179.7° |
| C38 | C37 | C36 | H37 | 180.0° | 179.7° |
| C37 | C38 | C39 | C40 | 0.3° | 0.0° |
| C38 | C37 | C36 | C30 | 0.2° | 0.6° |
| C37 | C38 | C39 | H39 | 179.7° | 180.0° |
| C38 | C37 | C36 | H36 | 179.8° | 180.0° |
| C39 | C38 | C37 | C36 | 0.3° | 0.3° |
| C38 | C39 | C40 | H39 | 180.0° | 180.0° |
| C38 | C39 | C40 | C30 | 0.2° | 0.0° |
| C38 | C39 | C40 | H40 | 179.8° | 180.0° |
| C39 | C38 | C37 | H37 | 179.7° | 180.0° |
| C37 | C36 | C30 | H36 | 180.0° | 179.4° |
| C37 | C36 | C30 | C40 | 0.8° | 0.6° |
| C37 | C36 | C30 | C28 | 179.6° | 179.7° |
| C36 | C37 | C38 | H38 | 179.6° | 180.0° |
| C39 | C40 | C30 | C36 | 0.7° | 0.3° |
| C39 | C40 | C30 | H40 | 180.0° | 180.0° |
| C39 | C40 | C30 | C28 | 179.7° | 180.0° |
| C40 | C39 | C38 | H38 | 179.6° | 179.7° |
| C36 | C30 | C40 | C28 | 178.9° | 179.7° |
| C36 | C30 | C28 | C29 | 85.5° | 64.3° |
| C36 | C30 | C28 | C21 | 41.9° | 55.7° |
| C36 | C30 | C28 | H28 | 155.9° | 175.7° |
| C36 | C30 | C40 | H40 | 179.2° | 179.7° |
| C30 | C36 | C37 | H37 | 179.8° | 179.7° |
| C40 | C30 | C28 | C29 | 93.4° | 116.1° |
| C40 | C30 | C28 | C21 | 139.2° | 123.9° |
| C40 | C30 | C28 | H28 | 25.2° | 3.9° |
| C30 | C40 | C39 | H39 | 179.8° | 180.0° |
| C40 | C30 | C36 | H36 | 179.2° | 180.0° |
| C30 | C28 | C29 | C31 | 66.3° | 77.5° |
| C30 | C28 | C29 | C21 | 128.7° | 120.0° |
| C30 | C28 | C29 | H28 | 116.9° | 120.1° |
| C30 | C28 | C29 | C35 | 113.1° | 102.2° |
| C30 | C28 | C21 | H28 | 116.1° | 120.1° |
| C30 | C28 | C21 | N22 | 51.7° | 174.3° |
| C30 | C28 | C21 | C20 | 171.9° | 65.7° |
| C30 | C28 | C21 | H21 | 67.9° | 54.3° |
| C28 | C30 | C40 | H40 | 0.3° | 0.0° |
| C28 | C30 | C36 | H36 | 0.4° | 0.3° |
| N16 | C13 | C12 | C14 | 179.9° | 179.7° |
| N16 | C13 | C12 | C11 | 179.7° | 180.0° |
| N16 | C13 | C14 | C15 | 179.9° | 180.0° |
| N16 | C13 | C12 | H12 | 0.3° | 0.0° |
| N16 | C13 | C14 | H14 | 0.2° | 0.0° |
| C13 | N16 | H161 | H162 | 120.0° | 180.0° |
| C31 | C32 | C33 | H32 | 180.0° | 179.3° |
| C32 | C31 | C29 | H31 | 180.0° | 179.4° |
| C31 | C32 | C33 | C34 | 0.1° | 0.3° |
| C32 | C31 | C29 | C28 | 179.6° | 179.7° |
| C32 | C31 | C29 | C35 | 0.1° | 0.6° |
| C31 | C32 | C33 | H33 | 179.9° | 179.7° |
| C33 | C32 | C31 | C29 | 0.0° | 0.6° |
| C32 | C33 | C34 | H33 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 0.4° | 0.0° |
| C32 | C33 | C34 | H34 | 179.6° | 179.9° |
| C33 | C32 | C31 | H31 | 180.0° | 180.0° |
| C31 | C29 | C28 | C35 | 179.4° | 179.7° |
| C31 | C29 | C28 | C21 | 62.4° | 42.5° |
| C31 | C29 | C35 | C34 | 0.4° | 0.3° |
| C31 | C29 | C28 | H28 | 176.8° | 162.4° |
| C31 | C29 | C35 | H35 | 179.5° | 179.7° |
| C29 | C31 | C32 | H32 | 180.0° | 179.9° |
| C13 | C12 | C11 | H12 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.2° | 0.3° |
| C13 | C12 | C11 | C10 | 0.7° | 0.1° |
| C13 | C12 | C11 | H11 | 179.3° | 180.0° |
| C12 | C13 | C14 | H14 | 179.8° | 179.7° |
| C12 | C13 | N16 | H161 | 85.5° | 0.0° |
| C12 | C13 | N16 | H162 | 34.5° | 180.0° |
| C14 | C13 | C12 | C11 | 0.3° | 0.3° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C10 | 0.4° | 0.0° |
| C14 | C13 | C12 | H12 | 179.7° | 179.7° |
| C13 | C14 | C15 | H15 | 179.6° | 180.0° |
| C14 | C13 | N16 | H161 | 94.4° | 179.7° |
| C14 | C13 | N16 | H162 | 145.6° | 0.3° |
| C33 | C34 | C35 | C29 | 0.6° | 0.0° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | H35 | 179.4° | 180.0° |
| C34 | C33 | C32 | H32 | 179.9° | 179.7° |
| C12 | C11 | C10 | H11 | 180.0° | 179.9° |
| C12 | C11 | C10 | C15 | 0.9° | 0.2° |
| C12 | C11 | C10 | S | 179.6° | 180.0° |
| C29 | C28 | C21 | H28 | 118.2° | 119.9° |
| C28 | C29 | C35 | C34 | 179.9° | 180.0° |
| C29 | C28 | C21 | N22 | 177.5° | 54.3° |
| C29 | C28 | C21 | C20 | 62.4° | 174.3° |
| C29 | C28 | C21 | H21 | 57.8° | 65.7° |
| C28 | C29 | C35 | H35 | 0.1° | 0.0° |
| C28 | C29 | C31 | H31 | 0.5° | 0.3° |
| C35 | C29 | C28 | C21 | 118.2° | 137.8° |
| C29 | C35 | C34 | H35 | 180.0° | 179.9° |
| C35 | C29 | C28 | H28 | 3.8° | 17.9° |
| C29 | C35 | C34 | H34 | 179.4° | 179.9° |
| C35 | C29 | C31 | H31 | 179.9° | 180.0° |
| O26 | C24 | N22 | O25 | 178.6° | 180.0° |
| O26 | C24 | N22 | C21 | 129.7° | 4.3° |
| O26 | C24 | O25 | C27 | 77.5° | 5.2° |
| O26 | C24 | N22 | HN22 | 50.3° | 175.7° |
| C28 | C21 | N22 | C24 | 120.1° | 54.4° |
| C28 | C21 | N22 | C20 | 121.5° | 120.0° |
| C28 | C21 | N22 | H21 | 118.3° | 119.9° |
| C28 | C21 | C20 | H21 | 118.4° | 120.0° |
| C28 | C21 | C20 | N19 | 114.8° | 80.0° |
| C28 | C21 | C20 | O23 | 67.6° | 100.0° |
| C28 | C21 | N22 | HN22 | 59.9° | 125.6° |
| C14 | C15 | C10 | C11 | 0.7° | 0.3° |
| C14 | C15 | C10 | H15 | 180.0° | 180.0° |
| C14 | C15 | C10 | S | 179.4° | 180.0° |
| C35 | C34 | C33 | H33 | 179.6° | 179.9° |
| C11 | C10 | C15 | S | 178.7° | 179.8° |
| C11 | C10 | S | O8 | 51.9° | 141.4° |
| C11 | C10 | S | O9 | 171.1° | 8.5° |
| C11 | C10 | S | N | 68.5° | 105.0° |
| C10 | C11 | C12 | H12 | 179.3° | 180.0° |
| C11 | C10 | C15 | H15 | 179.2° | 179.8° |
| C24 | N22 | C21 | HN22 | 180.0° | 180.0° |
| C24 | N22 | C21 | C20 | 118.5° | 65.6° |
| N22 | C24 | O25 | C27 | 101.1° | 174.8° |
| C24 | N22 | C21 | H21 | 1.8° | 174.4° |
| O25 | C24 | N22 | C21 | 51.7° | 175.7° |
| C24 | O25 | C27 | H271 | 72.1° | 55.3° |
| C24 | O25 | C27 | H272 | 47.9° | 64.8° |
| C24 | O25 | C27 | H273 | 167.9° | 175.2° |
| O25 | C24 | N22 | HN22 | 128.3° | 4.3° |
| C15 | C10 | S | O8 | 129.4° | 38.8° |
| C15 | C10 | S | O9 | 10.2° | 171.7° |
| C15 | C10 | S | N | 110.1° | 74.7° |
| C15 | C10 | C11 | H11 | 179.1° | 179.7° |
| C10 | C15 | C14 | H14 | 179.6° | 180.0° |
| C10 | S | O8 | O9 | 121.4° | 123.0° |
| C10 | S | O8 | N | 116.7° | 114.1° |
| C10 | S | O9 | N | 117.0° | 114.1° |
| C10 | S | N | C | 105.0° | 78.6° |
| C10 | S | N | C4 | 68.0° | 101.4° |
| S | C10 | C11 | H11 | 0.4° | 0.1° |
| S | C10 | C15 | H15 | 0.5° | 0.0° |
| O8 | S | O9 | N | 122.2° | 122.9° |
| O8 | S | N | C | 14.6° | 35.0° |
| O8 | S | N | C4 | 172.4° | 145.0° |
| N22 | C21 | C20 | H21 | 119.7° | 120.0° |
| N22 | C21 | C20 | N19 | 123.3° | 160.0° |
| N22 | C21 | C20 | O23 | 54.3° | 20.0° |
| N22 | C21 | C28 | H28 | 64.3° | 65.7° |
| C21 | C20 | N19 | O23 | 177.5° | 180.0° |
| C21 | C20 | N19 | C18 | 147.1° | 180.0° |
| C20 | C21 | N22 | HN22 | 61.5° | 114.4° |
| C20 | C21 | C28 | H28 | 55.8° | 54.4° |
| C21 | C20 | N19 | HN19 | 32.9° | 0.1° |
| O25 | C27 | H271 | H272 | 120.0° | 120.0° |
| O25 | C27 | H271 | H273 | 120.0° | 120.0° |
| O25 | C27 | H272 | H273 | 120.0° | 120.0° |
| O9 | S | N | C | 134.5° | 167.9° |
| O9 | S | N | C4 | 52.5° | 12.2° |
| S | N | C | C4 | 172.9° | 180.0° |
| S | N | C | C3 | 126.0° | 126.9° |
| S | N | C | C1 | 112.6° | 113.1° |
| S | N | C4 | C5 | 111.7° | 95.4° |
| S | N | C4 | H41 | 8.3° | 24.7° |
| S | N | C4 | H42 | 131.2° | 144.6° |
| S | N | C | H | 5.1° | 6.9° |
| C20 | N19 | C18 | HN19 | 180.0° | 179.9° |
| C20 | N19 | C18 | C17 | 100.9° | 180.0° |
| N19 | C20 | C21 | H21 | 3.6° | 40.0° |
| C20 | N19 | C18 | H181 | 19.1° | 60.0° |
| C20 | N19 | C18 | H182 | 139.5° | 59.9° |
| O23 | C20 | N19 | C18 | 35.4° | 0.1° |
| O23 | C20 | C21 | H21 | 174.0° | 140.0° |
| O23 | C20 | N19 | HN19 | 144.6° | 180.0° |
| N19 | C18 | C17 | H181 | 120.0° | 119.9° |
| N19 | C18 | C17 | H182 | 119.6° | 120.0° |
| N19 | C18 | C17 | C2 | 158.9° | 180.0° |
| N19 | C18 | H181 | H182 | 119.6° | 120.0° |
| N19 | C18 | C17 | H171 | 38.9° | 60.0° |
| N19 | C18 | C17 | H172 | 82.1° | 60.0° |
| C18 | C17 | C2 | H171 | 120.0° | 120.0° |
| C18 | C17 | C2 | H172 | 119.0° | 120.0° |
| C18 | C17 | C2 | C1 | 99.3° | 175.1° |
| C18 | C17 | C2 | H21A | 20.7° | 55.1° |
| C18 | C17 | C2 | H22 | 142.0° | 64.9° |
| C17 | C18 | N19 | HN19 | 79.1° | 0.1° |
| C17 | C18 | H181 | H182 | 119.6° | 120.1° |
| C18 | C17 | H171 | H172 | 119.1° | 120.1° |
| C17 | C2 | C1 | C | 80.7° | 175.0° |
| C17 | C2 | C1 | H21A | 120.0° | 120.0° |
| C17 | C2 | C1 | H22 | 118.8° | 119.9° |
| C17 | C2 | C1 | H11A | 159.3° | 55.0° |
| C17 | C2 | C1 | H12A | 37.8° | 65.0° |
| C17 | C2 | H21A | H22 | 118.8° | 120.0° |
| C2 | C17 | C18 | H181 | 81.1° | 60.0° |
| C2 | C17 | C18 | H182 | 39.3° | 60.0° |
| C2 | C17 | H171 | H172 | 119.1° | 119.9° |
| N | C | C3 | C1 | 121.9° | 120.0° |
| N | C | C3 | H | 120.4° | 120.0° |
| N | C | C1 | H | 120.3° | 120.0° |
| N | C | C3 | O | 169.1° | 66.8° |
| N | C | C1 | C2 | 76.1° | 65.6° |
| C | N | C4 | C5 | 75.3° | 84.6° |
| N | C | C3 | H31A | 70.9° | 53.2° |
| N | C | C3 | H32A | 49.7° | 173.2° |
| N | C | C1 | H11A | 44.0° | 174.4° |
| N | C | C1 | H12A | 165.5° | 54.4° |
| C | N | C4 | H41 | 164.7° | 155.4° |
| C | N | C4 | H42 | 41.8° | 35.4° |
| C4 | N | C | C3 | 47.0° | 53.1° |
| C4 | N | C | C1 | 74.5° | 66.9° |
| N | C4 | C5 | H41 | 120.0° | 120.0° |
| N | C4 | C5 | H42 | 117.1° | 120.0° |
| N | C4 | C5 | C6 | 57.7° | 174.1° |
| N | C4 | C5 | C7 | 179.5° | 65.9° |
| N | C4 | H41 | H42 | 117.3° | 120.0° |
| N | C4 | C5 | H5 | 58.3° | 54.1° |
| C4 | N | C | H | 167.8° | 173.1° |
| C3 | C | C1 | H | 120.8° | 120.0° |
| C | C3 | O | H31A | 120.0° | 120.0° |
| C | C3 | O | H32A | 119.4° | 120.1° |
| C3 | C | C1 | C2 | 165.0° | 174.4° |
| C | C3 | H31A | H32A | 119.4° | 120.0° |
| C3 | C | C1 | H11A | 74.9° | 54.4° |
| C3 | C | C1 | H12A | 46.5° | 65.6° |
| C | C3 | O | HO | 75.3° | 180.0° |
| C1 | C | C3 | O | 69.0° | 53.2° |
| C | C1 | C2 | H11A | 120.0° | 120.0° |
| C | C1 | C2 | H12A | 118.5° | 120.0° |
| C1 | C | C3 | H31A | 51.0° | 173.2° |
| C1 | C | C3 | H32A | 171.6° | 66.8° |
| C | C1 | H11A | H12A | 118.6° | 120.0° |
| C | C1 | C2 | H21A | 159.3° | 55.0° |
| C | C1 | C2 | H22 | 38.1° | 65.1° |
| O | C3 | H31A | H32A | 119.3° | 119.9° |
| O | C3 | C | H | 48.7° | 173.2° |
| C2 | C1 | H11A | H12A | 118.6° | 120.1° |
| C1 | C2 | H21A | H22 | 118.8° | 120.0° |
| C1 | C2 | C17 | H171 | 140.8° | 64.8° |
| C1 | C2 | C17 | H172 | 19.8° | 55.1° |
| C2 | C1 | C | H | 44.3° | 54.4° |
| C4 | C5 | C6 | C7 | 121.4° | 120.0° |
| C4 | C5 | C6 | H5 | 117.6° | 120.0° |
| C4 | C5 | C7 | H5 | 118.1° | 120.0° |
| C5 | C4 | H41 | H42 | 117.4° | 120.0° |
| C4 | C5 | C6 | H61 | 174.5° | 60.0° |
| C4 | C5 | C6 | H62 | 65.5° | 180.0° |
| C4 | C5 | C6 | H63 | 54.5° | 60.0° |
| C4 | C5 | C7 | H71 | 4.1° | 44.8° |
| C4 | C5 | C7 | H72 | 124.1° | 75.2° |
| C4 | C5 | C7 | H73 | 115.9° | 164.8° |
| C6 | C5 | C7 | H5 | 116.3° | 120.0° |
| C6 | C5 | C4 | H41 | 62.3° | 65.9° |
| C6 | C5 | C4 | H42 | 174.8° | 54.2° |
| C5 | C6 | H61 | H62 | 120.0° | 120.0° |
| C5 | C6 | H61 | H63 | 120.0° | 120.0° |
| C5 | C6 | H62 | H63 | 120.0° | 120.0° |
| C6 | C5 | C7 | H71 | 129.7° | 75.2° |
| C6 | C5 | C7 | H72 | 110.3° | 164.8° |
| C6 | C5 | C7 | H73 | 9.7° | 44.8° |
| C7 | C5 | C4 | H41 | 60.5° | 54.1° |
| C7 | C5 | C4 | H42 | 62.4° | 174.1° |
| C7 | C5 | C6 | H61 | 53.1° | 60.0° |
| C7 | C5 | C6 | H62 | 173.1° | 60.0° |
| C7 | C5 | C6 | H63 | 66.8° | 180.0° |
| C5 | C7 | H71 | H72 | 120.0° | 120.0° |
| C5 | C7 | H71 | H73 | 120.0° | 120.0° |
| C5 | C7 | H72 | H73 | 120.0° | 120.0° |
| H31A | C3 | C | H | 168.7° | 66.8° |
| H31A | C3 | O | HO | 164.7° | 60.0° |
| H32A | C3 | C | H | 70.6° | 53.2° |
| H32A | C3 | O | HO | 44.1° | 59.9° |
| H11A | C1 | C2 | H21A | 39.3° | 65.0° |
| H11A | C1 | C2 | H22 | 81.9° | 175.0° |
| H11A | C1 | C | H | 164.3° | 65.6° |
| H12A | C1 | C2 | H21A | 82.2° | 175.0° |
| H12A | C1 | C2 | H22 | 156.6° | 54.9° |
| H12A | C1 | C | H | 74.2° | 174.4° |
| H21A | C2 | C17 | H171 | 99.2° | 175.1° |
| H21A | C2 | C17 | H172 | 139.8° | 64.9° |
| H22 | C2 | C17 | H171 | 22.0° | 55.1° |
| H22 | C2 | C17 | H172 | 99.0° | 175.0° |
| H41 | C4 | C5 | H5 | 178.3° | 174.1° |
| H42 | C4 | C5 | H5 | 58.8° | 65.9° |
| H5 | C5 | C6 | H61 | 67.9° | 180.0° |
| H5 | C5 | C6 | H62 | 52.1° | 60.0° |
| H5 | C5 | C6 | H63 | 172.1° | 60.0° |
| H5 | C5 | C7 | H71 | 114.0° | 164.8° |
| H5 | C5 | C7 | H72 | 6.0° | 44.8° |
| H5 | C5 | C7 | H73 | 126.0° | 75.3° |
| H61 | C6 | H62 | H63 | 120.0° | 120.0° |
| H71 | C7 | H72 | H73 | 120.0° | 120.0° |
| H12 | C12 | C11 | H11 | 0.7° | 0.1° |
| H271 | C27 | H272 | H273 | 120.0° | 120.0° |
| HN22 | N22 | C21 | H21 | 178.2° | 5.6° |
| H21 | C21 | C28 | H28 | 176.0° | 174.4° |
| H40 | C40 | C39 | H39 | 0.2° | 0.0° |
| H39 | C39 | C38 | H38 | 0.4° | 0.3° |
| H38 | C38 | C37 | H37 | 0.4° | 0.2° |
| H37 | C37 | C36 | H36 | 0.2° | 0.3° |
| H35 | C35 | C34 | H34 | 0.6° | 0.1° |
| H34 | C34 | C33 | H33 | 0.4° | 0.0° |
| H33 | C33 | C32 | H32 | 0.1° | 0.4° |
| H32 | C32 | C31 | H31 | 0.0° | 0.7° |
| HN19 | N19 | C18 | H181 | 160.9° | 120.1° |
| HN19 | N19 | C18 | H182 | 40.5° | 120.0° |
| H181 | C18 | C17 | H171 | 158.9° | 60.0° |
| H181 | C18 | C17 | H172 | 37.9° | 180.0° |
| H182 | C18 | C17 | H171 | 80.7° | 180.0° |
| H182 | C18 | C17 | H172 | 158.3° | 60.0° |
| H15 | C15 | C14 | H14 | 0.4° | 0.0° |
