L2T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C8 | sing | 1.51Å | 1.52Å | |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| CL7 | C6 | sing | 1.51Å | 1.73Å | |
| C8 | N30 | sing | 1.47Å | 1.46Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C28 | C9 | sing | 1.48Å | 1.53Å | |
| C9 | C35 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C31 | sing | 1.40Å | 1.40Å | Aromatic |
| N30 | C10 | sing | 1.35Å | 1.33Å | |
| O11 | C10 | doub | 1.21Å | 1.24Å | |
| C10 | C12 | sing | 1.51Å | 1.54Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C12 | N14 | sing | 1.47Å | 1.46Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | C15 | sing | 1.53Å | 1.54Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| N14 | C16 | sing | 1.35Å | 1.33Å | |
| N14 | HN14 | sing | 0.97Å | 1.00Å | |
| C15 | C22 | sing | 1.51Å | 1.53Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| O17 | C16 | doub | 1.21Å | 1.23Å | |
| C16 | C18 | sing | 1.51Å | 1.53Å | |
| C20 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | N19 | sing | 1.47Å | 1.48Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| N19 | C28 | sing | 1.35Å | 1.33Å | |
| N19 | HN19 | sing | 0.97Å | 1.00Å | |
| C44 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | O21 | sing | 1.43Å | 1.42Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| O21 | HO21 | sing | 0.97Å | 0.95Å | |
| C24 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| O29 | C28 | doub | 1.22Å | 1.23Å | |
| N30 | HN30 | sing | 0.97Å | 1.00Å | |
| C31 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | C33 | sing | 1.39Å | 1.40Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | C33 | doub | 1.39Å | 1.39Å | Aromatic |
| C33 | O36 | sing | 1.36Å | 1.37Å | |
| C35 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| O36 | C37 | sing | 1.43Å | 1.46Å | |
| C37 | C38 | sing | 1.51Å | 1.40Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C38 | C39 | doub | 1.38Å | 1.40Å | Aromatic |
| C38 | C43 | sing | 1.38Å | 1.40Å | Aromatic |
| C39 | C40 | sing | 1.38Å | 1.40Å | Aromatic |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C40 | C41 | doub | 1.38Å | 1.40Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C42 | C41 | sing | 1.38Å | 1.40Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C43 | C42 | doub | 1.38Å | 1.40Å | Aromatic |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C44 | H44A | sing | 1.09Å | 1.10Å | |
| C44 | H44B | sing | 1.09Å | 1.10Å | |
| CL7 | HL7 | sing | 1.09Å | 1.10Å | |
| CL7 | HL7A | sing | 1.09Å | 1.10Å | |
| CL7 | HL7B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | C8 | 123.6° | 120.0° |
| C6 | C1 | C2 | 119.1° | 120.0° |
| C1 | C6 | C5 | 120.6° | 120.0° |
| C1 | C6 | CL7 | 119.6° | 120.0° |
| C8 | C1 | C2 | 117.3° | 120.0° |
| C1 | C8 | N30 | 112.9° | 109.5° |
| C1 | C8 | H8 | 108.4° | 109.5° |
| C1 | C8 | H8A | 108.3° | 109.4° |
| C1 | C2 | C3 | 120.4° | 120.0° |
| C1 | C2 | H2 | 119.8° | 120.0° |
| C3 | C2 | H2 | 119.8° | 120.0° |
| C2 | C3 | C4 | 120.4° | 120.0° |
| C2 | C3 | H3 | 119.8° | 120.0° |
| C4 | C3 | H3 | 119.8° | 120.0° |
| C3 | C4 | C5 | 119.4° | 120.0° |
| C3 | C4 | H4 | 120.3° | 119.9° |
| C5 | C4 | H4 | 120.3° | 120.0° |
| C4 | C5 | C6 | 120.1° | 120.0° |
| C4 | C5 | H5 | 120.0° | 120.0° |
| C6 | C5 | H5 | 120.0° | 120.0° |
| C5 | C6 | CL7 | 119.8° | 120.0° |
| C6 | CL7 | HL7 | 109.5° | 109.5° |
| C6 | CL7 | HL7A | 109.5° | 109.5° |
| C6 | CL7 | HL7B | 109.4° | 109.4° |
| N30 | C8 | H8 | 108.4° | 109.5° |
| N30 | C8 | H8A | 108.4° | 109.5° |
| C8 | N30 | C10 | 121.7° | 120.0° |
| C8 | N30 | HN30 | 119.2° | 120.0° |
| H8 | C8 | H8A | 110.5° | 109.5° |
| C28 | C9 | C35 | 122.0° | 120.1° |
| C28 | C9 | C31 | 118.5° | 120.0° |
| C9 | C28 | N19 | 115.9° | 120.0° |
| C9 | C28 | O29 | 120.5° | 120.0° |
| C35 | C9 | C31 | 119.5° | 119.8° |
| C9 | C35 | C34 | 119.7° | 119.9° |
| C9 | C35 | H35 | 120.1° | 120.0° |
| C9 | C31 | C32 | 120.7° | 119.9° |
| C9 | C31 | H31 | 119.6° | 120.1° |
| N30 | C10 | O11 | 124.2° | 120.0° |
| N30 | C10 | C12 | 115.1° | 120.0° |
| C10 | N30 | HN30 | 119.2° | 120.1° |
| O11 | C10 | C12 | 120.7° | 120.0° |
| C10 | C12 | C13 | 109.1° | 109.5° |
| C10 | C12 | N14 | 106.9° | 109.5° |
| C10 | C12 | H12 | 112.3° | 109.5° |
| C13 | C12 | N14 | 112.0° | 109.4° |
| C13 | C12 | H12 | 107.1° | 109.5° |
| C12 | C13 | C15 | 114.3° | 109.5° |
| C12 | C13 | H13 | 107.9° | 109.5° |
| C12 | C13 | H13A | 107.9° | 109.5° |
| N14 | C12 | H12 | 109.4° | 109.5° |
| C12 | N14 | C16 | 122.5° | 120.0° |
| C12 | N14 | HN14 | 118.8° | 120.0° |
| C15 | C13 | H13 | 107.9° | 109.5° |
| C15 | C13 | H13A | 107.9° | 109.5° |
| C13 | C15 | C22 | 112.4° | 109.5° |
| C13 | C15 | H15 | 108.5° | 109.5° |
| C13 | C15 | H15A | 108.5° | 109.5° |
| H13 | C13 | H13A | 111.0° | 109.4° |
| C16 | N14 | HN14 | 118.7° | 120.0° |
| N14 | C16 | O17 | 124.5° | 120.0° |
| N14 | C16 | C18 | 114.0° | 120.0° |
| C22 | C15 | H15 | 108.5° | 109.5° |
| C22 | C15 | H15A | 108.5° | 109.4° |
| C15 | C22 | C24 | 120.0° | 120.0° |
| C15 | C22 | C23 | 119.3° | 120.0° |
| H15 | C15 | H15A | 110.4° | 109.5° |
| O17 | C16 | C18 | 121.5° | 120.1° |
| C16 | C18 | C20 | 109.3° | 109.5° |
| C16 | C18 | N19 | 112.8° | 109.4° |
| C16 | C18 | H18 | 107.5° | 109.5° |
| C20 | C18 | N19 | 110.0° | 109.4° |
| C20 | C18 | H18 | 110.4° | 109.5° |
| C18 | C20 | C44 | 111.7° | 109.4° |
| C18 | C20 | O21 | 109.0° | 109.4° |
| C18 | C20 | H20 | 108.5° | 109.5° |
| N19 | C18 | H18 | 106.8° | 109.5° |
| C18 | N19 | C28 | 122.2° | 120.0° |
| C18 | N19 | HN19 | 118.9° | 120.0° |
| C28 | N19 | HN19 | 118.9° | 120.0° |
| N19 | C28 | O29 | 123.6° | 120.0° |
| C44 | C20 | O21 | 110.2° | 109.5° |
| C44 | C20 | H20 | 107.3° | 109.5° |
| C20 | C44 | H44 | 109.5° | 109.5° |
| C20 | C44 | H44A | 109.5° | 109.4° |
| C20 | C44 | H44B | 109.4° | 109.5° |
| O21 | C20 | H20 | 110.1° | 109.5° |
| C20 | O21 | HO21 | 109.5° | 114.0° |
| C24 | C22 | C23 | 120.7° | 120.0° |
| C22 | C24 | C27 | 119.2° | 120.0° |
| C22 | C24 | H24 | 120.4° | 120.0° |
| C22 | C23 | C25 | 120.2° | 120.0° |
| C22 | C23 | H23 | 119.9° | 120.0° |
| C25 | C23 | H23 | 119.9° | 120.0° |
| C23 | C25 | C26 | 119.1° | 120.0° |
| C23 | C25 | H25 | 120.5° | 119.9° |
| C27 | C24 | H24 | 120.4° | 120.1° |
| C24 | C27 | C26 | 120.1° | 120.0° |
| C24 | C27 | H27 | 119.9° | 120.0° |
| C26 | C25 | H25 | 120.5° | 120.0° |
| C25 | C26 | C27 | 120.7° | 120.0° |
| C25 | C26 | H26 | 119.6° | 120.0° |
| C27 | C26 | H26 | 119.6° | 120.0° |
| C26 | C27 | H27 | 120.0° | 120.0° |
| C32 | C31 | H31 | 119.6° | 120.0° |
| C31 | C32 | C33 | 119.9° | 120.1° |
| C31 | C32 | H32 | 120.0° | 119.9° |
| C33 | C32 | H32 | 120.1° | 120.0° |
| C32 | C33 | C34 | 119.4° | 120.2° |
| C32 | C33 | O36 | 121.6° | 119.9° |
| C34 | C33 | O36 | 119.1° | 119.9° |
| C33 | C34 | C35 | 120.8° | 120.1° |
| C33 | C34 | H34 | 119.6° | 119.9° |
| C33 | O36 | C37 | 118.3° | 117.0° |
| C35 | C34 | H34 | 119.6° | 120.0° |
| C34 | C35 | H35 | 120.2° | 120.1° |
| O36 | C37 | C38 | 119.0° | 109.5° |
| O36 | C37 | H37 | 106.4° | 109.5° |
| O36 | C37 | H37A | 106.4° | 109.5° |
| C38 | C37 | H37 | 106.4° | 109.5° |
| C38 | C37 | H37A | 106.4° | 109.5° |
| C37 | C38 | C39 | 120.5° | 120.0° |
| C37 | C38 | C43 | 120.1° | 120.0° |
| H37 | C37 | H37A | 112.3° | 109.4° |
| C39 | C38 | C43 | 119.4° | 120.0° |
| C38 | C39 | C40 | 120.3° | 120.0° |
| C38 | C39 | H39 | 119.9° | 120.0° |
| C38 | C43 | C42 | 120.2° | 120.0° |
| C38 | C43 | H43 | 119.9° | 120.0° |
| C40 | C39 | H39 | 119.8° | 120.0° |
| C39 | C40 | C41 | 120.0° | 120.0° |
| C39 | C40 | H40 | 120.0° | 120.0° |
| C41 | C40 | H40 | 120.0° | 120.0° |
| C40 | C41 | C42 | 119.7° | 120.0° |
| C40 | C41 | H41 | 120.2° | 120.0° |
| C42 | C41 | H41 | 120.1° | 120.0° |
| C41 | C42 | C43 | 120.3° | 120.0° |
| C41 | C42 | H42 | 119.8° | 120.0° |
| C43 | C42 | H42 | 119.8° | 120.0° |
| C42 | C43 | H43 | 119.9° | 120.0° |
| H44 | C44 | H44A | 109.5° | 109.5° |
| H44 | C44 | H44B | 109.4° | 109.5° |
| H44A | C44 | H44B | 109.5° | 109.4° |
| HL7 | CL7 | HL7A | 109.4° | 109.5° |
| HL7 | CL7 | HL7B | 109.5° | 109.5° |
| HL7A | CL7 | HL7B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | C8 | C2 | 178.9° | 179.6° |
| C6 | C1 | C2 | C3 | 0.6° | 0.4° |
| C6 | C1 | C2 | H2 | 179.5° | 179.7° |
| C1 | C6 | C5 | C4 | 0.1° | 0.7° |
| C1 | C6 | C5 | CL7 | 179.0° | 179.4° |
| C1 | C6 | C5 | H5 | 179.9° | 179.7° |
| C6 | C1 | C8 | N30 | 81.6° | 79.7° |
| C6 | C1 | C8 | H8 | 158.3° | 160.3° |
| C6 | C1 | C8 | H8A | 38.3° | 40.3° |
| C1 | C6 | CL7 | HL7 | 90.5° | 90.6° |
| C1 | C6 | CL7 | HL7A | 149.5° | 29.5° |
| C1 | C6 | CL7 | HL7B | 29.5° | 149.3° |
| C8 | C1 | C2 | C3 | 179.5° | 180.0° |
| C8 | C1 | C2 | H2 | 0.5° | 0.1° |
| C8 | C1 | C6 | C5 | 179.3° | 179.7° |
| C8 | C1 | C6 | CL7 | 1.7° | 0.3° |
| C1 | C8 | N30 | H8 | 120.0° | 120.0° |
| C1 | C8 | N30 | H8A | 120.0° | 120.0° |
| C1 | C8 | H8 | H8A | 118.6° | 119.9° |
| C1 | C8 | N30 | C10 | 107.5° | 180.0° |
| C1 | C8 | N30 | HN30 | 72.5° | 0.1° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.4° | 0.1° |
| C1 | C2 | C3 | H3 | 179.6° | 180.0° |
| C2 | C1 | C6 | C5 | 0.4° | 0.7° |
| C2 | C1 | C6 | CL7 | 179.4° | 179.9° |
| C2 | C1 | C8 | N30 | 99.5° | 100.0° |
| C2 | C1 | C8 | H8 | 20.6° | 20.1° |
| C2 | C1 | C8 | H8A | 140.5° | 140.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.1° | 0.1° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| H2 | C2 | C3 | C4 | 179.6° | 180.0° |
| H2 | C2 | C3 | H3 | 0.4° | 0.1° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.1° | 0.4° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| H3 | C3 | C4 | C5 | 179.9° | 180.0° |
| H3 | C3 | C4 | H4 | 0.0° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.7° |
| C4 | C5 | C6 | CL7 | 179.1° | 179.9° |
| H4 | C4 | C5 | C6 | 179.9° | 179.7° |
| H4 | C4 | C5 | H5 | 0.1° | 0.0° |
| C5 | C6 | CL7 | HL7 | 90.5° | 90.0° |
| C5 | C6 | CL7 | HL7A | 29.5° | 149.9° |
| C5 | C6 | CL7 | HL7B | 149.5° | 30.1° |
| H5 | C5 | C6 | CL7 | 0.9° | 0.3° |
| C6 | CL7 | HL7 | HL7A | 120.0° | 120.0° |
| C6 | CL7 | HL7 | HL7B | 120.0° | 120.0° |
| C6 | CL7 | HL7A | HL7B | 120.0° | 119.9° |
| N30 | C8 | H8 | H8A | 118.6° | 120.0° |
| C8 | N30 | C10 | HN30 | 180.0° | 180.0° |
| C8 | N30 | C10 | O11 | 1.8° | 0.0° |
| C8 | N30 | C10 | C12 | 178.9° | 180.0° |
| H8 | C8 | N30 | C10 | 12.6° | 60.0° |
| H8 | C8 | N30 | HN30 | 167.4° | 120.0° |
| H8A | C8 | N30 | C10 | 132.6° | 60.0° |
| H8A | C8 | N30 | HN30 | 47.4° | 120.0° |
| C28 | C9 | C35 | C31 | 179.9° | 179.7° |
| C9 | C28 | N19 | C18 | 178.7° | 180.0° |
| C9 | C28 | N19 | O29 | 179.2° | 180.0° |
| C9 | C28 | N19 | HN19 | 1.3° | 0.0° |
| C28 | C9 | C31 | C32 | 179.6° | 179.7° |
| C28 | C9 | C31 | H31 | 0.4° | 0.3° |
| C28 | C9 | C35 | C34 | 179.7° | 179.7° |
| C28 | C9 | C35 | H35 | 0.3° | 0.3° |
| C35 | C9 | C28 | N19 | 56.1° | 180.0° |
| C35 | C9 | C28 | O29 | 124.7° | 0.0° |
| C35 | C9 | C31 | C32 | 0.5° | 0.0° |
| C35 | C9 | C31 | H31 | 179.4° | 180.0° |
| C9 | C35 | C34 | C33 | 0.1° | 0.0° |
| C9 | C35 | C34 | H35 | 180.0° | 180.0° |
| C9 | C35 | C34 | H34 | 180.0° | 179.9° |
| C31 | C9 | C28 | N19 | 123.7° | 0.3° |
| C31 | C9 | C28 | O29 | 55.5° | 179.7° |
| C9 | C31 | C32 | H31 | 180.0° | 180.0° |
| C9 | C31 | C32 | C33 | 0.1° | 0.0° |
| C9 | C31 | C32 | H32 | 179.9° | 180.0° |
| C31 | C9 | C35 | C34 | 0.4° | 0.0° |
| C31 | C9 | C35 | H35 | 179.6° | 180.0° |
| N30 | C10 | O11 | C12 | 179.3° | 179.9° |
| N30 | C10 | C12 | C13 | 104.4° | 60.1° |
| N30 | C10 | C12 | N14 | 134.3° | 180.0° |
| N30 | C10 | C12 | H12 | 14.3° | 60.0° |
| O11 | C10 | C12 | C13 | 76.3° | 120.0° |
| O11 | C10 | C12 | N14 | 45.1° | 0.0° |
| O11 | C10 | C12 | H12 | 165.0° | 120.0° |
| O11 | C10 | N30 | HN30 | 178.2° | 180.0° |
| C10 | C12 | C13 | N14 | 118.2° | 120.0° |
| C10 | C12 | C13 | H12 | 121.8° | 120.0° |
| C10 | C12 | N14 | H12 | 121.8° | 120.0° |
| C10 | C12 | C13 | C15 | 175.3° | 175.0° |
| C10 | C12 | C13 | H13 | 55.3° | 65.0° |
| C10 | C12 | C13 | H13A | 64.7° | 55.0° |
| C10 | C12 | N14 | C16 | 103.7° | 155.0° |
| C10 | C12 | N14 | HN14 | 76.3° | 25.0° |
| C12 | C10 | N30 | HN30 | 1.1° | 0.0° |
| C13 | C12 | N14 | H12 | 118.7° | 120.0° |
| C12 | C13 | C15 | H13 | 120.0° | 120.1° |
| C12 | C13 | C15 | H13A | 120.0° | 120.0° |
| C12 | C13 | H13 | H13A | 118.0° | 120.0° |
| C13 | C12 | N14 | C16 | 136.8° | 85.0° |
| C13 | C12 | N14 | HN14 | 43.2° | 95.0° |
| C12 | C13 | C15 | C22 | 65.1° | 180.0° |
| C12 | C13 | C15 | H15 | 54.9° | 60.0° |
| C12 | C13 | C15 | H15A | 174.9° | 60.1° |
| N14 | C12 | C13 | C15 | 57.2° | 65.0° |
| N14 | C12 | C13 | H13 | 62.8° | 55.0° |
| N14 | C12 | C13 | H13A | 177.2° | 175.0° |
| C12 | N14 | C16 | HN14 | 180.0° | 180.0° |
| C12 | N14 | C16 | O17 | 1.1° | 4.7° |
| C12 | N14 | C16 | C18 | 178.3° | 175.4° |
| H12 | C12 | C13 | C15 | 62.8° | 55.0° |
| H12 | C12 | C13 | H13 | 177.2° | 175.0° |
| H12 | C12 | C13 | H13A | 57.2° | 65.0° |
| H12 | C12 | N14 | C16 | 18.1° | 35.0° |
| H12 | C12 | N14 | HN14 | 161.9° | 145.0° |
| C15 | C13 | H13 | H13A | 118.0° | 120.0° |
| C13 | C15 | C22 | H15 | 120.0° | 120.0° |
| C13 | C15 | C22 | H15A | 120.0° | 120.0° |
| C13 | C15 | H15 | H15A | 118.8° | 120.0° |
| C13 | C15 | C22 | C24 | 70.8° | 90.3° |
| C13 | C15 | C22 | C23 | 109.3° | 90.1° |
| H13 | C13 | C15 | C22 | 174.9° | 60.0° |
| H13 | C13 | C15 | H15 | 65.1° | 180.0° |
| H13 | C13 | C15 | H15A | 54.9° | 60.0° |
| H13A | C13 | C15 | C22 | 54.9° | 60.0° |
| H13A | C13 | C15 | H15 | 174.9° | 60.0° |
| H13A | C13 | C15 | H15A | 65.1° | 180.0° |
| N14 | C16 | O17 | C18 | 179.3° | 179.9° |
| N14 | C16 | C18 | C20 | 106.6° | 87.6° |
| N14 | C16 | C18 | N19 | 130.7° | 152.4° |
| N14 | C16 | C18 | H18 | 13.3° | 32.4° |
| HN14 | N14 | C16 | O17 | 178.9° | 175.4° |
| HN14 | N14 | C16 | C18 | 1.7° | 4.6° |
| C22 | C15 | H15 | H15A | 118.8° | 120.0° |
| C15 | C22 | C24 | C23 | 180.0° | 179.6° |
| C15 | C22 | C23 | C25 | 179.9° | 180.0° |
| C15 | C22 | C23 | H23 | 0.1° | 0.1° |
| C15 | C22 | C24 | C27 | 179.9° | 180.0° |
| C15 | C22 | C24 | H24 | 0.1° | 0.0° |
| H15 | C15 | C22 | C24 | 169.2° | 149.7° |
| H15 | C15 | C22 | C23 | 10.7° | 30.0° |
| H15A | C15 | C22 | C24 | 49.3° | 29.7° |
| H15A | C15 | C22 | C23 | 130.7° | 150.0° |
| O17 | C16 | C18 | C20 | 72.8° | 92.4° |
| O17 | C16 | C18 | N19 | 49.9° | 27.5° |
| O17 | C16 | C18 | H18 | 167.3° | 147.5° |
| C16 | C18 | C20 | N19 | 124.3° | 119.9° |
| C16 | C18 | C20 | H18 | 118.1° | 120.0° |
| C16 | C18 | N19 | H18 | 117.9° | 120.0° |
| C16 | C18 | N19 | C28 | 69.1° | 155.0° |
| C16 | C18 | N19 | HN19 | 110.9° | 24.9° |
| C16 | C18 | C20 | C44 | 59.0° | 65.0° |
| C16 | C18 | C20 | O21 | 179.0° | 175.0° |
| C16 | C18 | C20 | H20 | 59.1° | 55.0° |
| C20 | C18 | N19 | H18 | 119.8° | 120.0° |
| C20 | C18 | N19 | C28 | 168.6° | 85.0° |
| C20 | C18 | N19 | HN19 | 11.4° | 95.0° |
| C18 | C20 | C44 | O21 | 121.3° | 119.9° |
| C18 | C20 | C44 | H20 | 118.8° | 120.0° |
| C18 | C20 | O21 | H20 | 118.9° | 120.0° |
| C18 | C20 | O21 | HO21 | 180.0° | 60.0° |
| C18 | C20 | C44 | H44 | 180.0° | 54.0° |
| C18 | C20 | C44 | H44A | 60.0° | 174.0° |
| C18 | C20 | C44 | H44B | 60.0° | 66.1° |
| C18 | N19 | C28 | HN19 | 180.0° | 180.0° |
| N19 | C18 | C20 | C44 | 176.6° | 175.1° |
| N19 | C18 | C20 | O21 | 54.7° | 55.1° |
| N19 | C18 | C20 | H20 | 65.3° | 64.9° |
| C18 | N19 | C28 | O29 | 0.4° | 0.0° |
| H18 | C18 | N19 | C28 | 48.8° | 35.0° |
| H18 | C18 | N19 | HN19 | 131.2° | 145.0° |
| H18 | C18 | C20 | C44 | 59.0° | 55.0° |
| H18 | C18 | C20 | O21 | 62.9° | 64.9° |
| H18 | C18 | C20 | H20 | 177.1° | 175.1° |
| HN19 | N19 | C28 | O29 | 179.6° | 180.0° |
| C44 | C20 | O21 | H20 | 118.2° | 120.0° |
| C44 | C20 | O21 | HO21 | 57.1° | 180.0° |
| C20 | C44 | H44 | H44A | 120.0° | 120.0° |
| C20 | C44 | H44 | H44B | 120.0° | 120.0° |
| C20 | C44 | H44A | H44B | 120.0° | 120.0° |
| O21 | C20 | C44 | H44 | 58.7° | 65.9° |
| O21 | C20 | C44 | H44A | 178.7° | 54.0° |
| O21 | C20 | C44 | H44B | 61.3° | 174.0° |
| H20 | C20 | O21 | HO21 | 61.1° | 60.0° |
| H20 | C20 | C44 | H44 | 61.2° | 174.0° |
| H20 | C20 | C44 | H44A | 58.8° | 66.0° |
| H20 | C20 | C44 | H44B | 178.8° | 53.9° |
| C24 | C22 | C23 | C25 | 0.1° | 0.3° |
| C24 | C22 | C23 | H23 | 179.9° | 179.7° |
| C22 | C24 | C27 | H24 | 180.0° | 180.0° |
| C22 | C24 | C27 | C26 | 0.0° | 0.1° |
| C22 | C24 | C27 | H27 | 180.0° | 180.0° |
| C22 | C23 | C25 | H23 | 180.0° | 179.9° |
| C23 | C22 | C24 | C27 | 0.1° | 0.4° |
| C23 | C22 | C24 | H24 | 179.9° | 179.7° |
| C22 | C23 | C25 | C26 | 0.1° | 0.0° |
| C22 | C23 | C25 | H25 | 179.9° | 179.9° |
| C23 | C25 | C26 | H25 | 180.0° | 180.0° |
| C23 | C25 | C26 | C27 | 0.0° | 0.2° |
| C23 | C25 | C26 | H26 | 180.0° | 180.0° |
| H23 | C23 | C25 | C26 | 179.9° | 180.0° |
| H23 | C23 | C25 | H25 | 0.1° | 0.0° |
| C24 | C27 | C26 | C25 | 0.0° | 0.2° |
| C24 | C27 | C26 | H27 | 180.0° | 179.9° |
| C24 | C27 | C26 | H26 | 179.9° | 180.0° |
| H24 | C24 | C27 | C26 | 180.0° | 180.0° |
| H24 | C24 | C27 | H27 | 0.0° | 0.0° |
| C25 | C26 | C27 | H26 | 180.0° | 179.8° |
| C25 | C26 | C27 | H27 | 180.0° | 179.7° |
| H25 | C25 | C26 | C27 | 180.0° | 179.8° |
| H25 | C25 | C26 | H26 | 0.0° | 0.0° |
| H26 | C26 | C27 | H27 | 0.0° | 0.1° |
| C31 | C32 | C33 | H32 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 0.4° | 0.0° |
| C31 | C32 | C33 | O36 | 179.0° | 180.0° |
| H31 | C31 | C32 | C33 | 179.9° | 180.0° |
| H31 | C31 | C32 | H32 | 0.1° | 0.0° |
| C32 | C33 | C34 | O36 | 178.7° | 180.0° |
| C32 | C33 | C34 | C35 | 0.5° | 0.0° |
| C32 | C33 | C34 | H34 | 179.5° | 180.0° |
| C32 | C33 | O36 | C37 | 40.3° | 180.0° |
| H32 | C32 | C33 | C34 | 179.6° | 180.0° |
| H32 | C32 | C33 | O36 | 1.0° | 0.1° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | H35 | 179.9° | 179.9° |
| C34 | C33 | O36 | C37 | 141.0° | 0.0° |
| O36 | C33 | C34 | C35 | 179.1° | 180.0° |
| O36 | C33 | C34 | H34 | 0.9° | 0.1° |
| C33 | O36 | C37 | C38 | 163.1° | 180.0° |
| C33 | O36 | C37 | H37 | 76.9° | 60.0° |
| C33 | O36 | C37 | H37A | 43.1° | 60.0° |
| H34 | C34 | C35 | H35 | 0.1° | 0.1° |
| O36 | C37 | C38 | H37 | 120.0° | 120.0° |
| O36 | C37 | C38 | H37A | 120.0° | 120.0° |
| O36 | C37 | H37 | H37A | 116.1° | 120.0° |
| O36 | C37 | C38 | C39 | 123.6° | 90.0° |
| O36 | C37 | C38 | C43 | 55.7° | 90.3° |
| C38 | C37 | H37 | H37A | 116.1° | 120.0° |
| C37 | C38 | C39 | C43 | 179.3° | 179.7° |
| C37 | C38 | C39 | C40 | 179.8° | 180.0° |
| C37 | C38 | C39 | H39 | 0.1° | 0.1° |
| C37 | C38 | C43 | C42 | 180.0° | 179.8° |
| C37 | C38 | C43 | H43 | 0.0° | 0.0° |
| H37 | C37 | C38 | C39 | 116.4° | 30.0° |
| H37 | C37 | C38 | C43 | 64.3° | 149.7° |
| H37A | C37 | C38 | C39 | 3.6° | 149.9° |
| H37A | C37 | C38 | C43 | 175.7° | 29.7° |
| C38 | C39 | C40 | H39 | 180.0° | 179.9° |
| C38 | C39 | C40 | C41 | 0.3° | 0.1° |
| C38 | C39 | C40 | H40 | 179.7° | 179.9° |
| C39 | C38 | C43 | C42 | 0.7° | 0.6° |
| C39 | C38 | C43 | H43 | 179.3° | 179.7° |
| C43 | C38 | C39 | C40 | 0.6° | 0.4° |
| C43 | C38 | C39 | H39 | 179.4° | 179.7° |
| C38 | C43 | C42 | C41 | 0.6° | 0.5° |
| C38 | C43 | C42 | H43 | 180.0° | 179.8° |
| C38 | C43 | C42 | H42 | 179.4° | 179.7° |
| C39 | C40 | C41 | H40 | 180.0° | 180.0° |
| C39 | C40 | C41 | C42 | 0.1° | 0.0° |
| C39 | C40 | C41 | H41 | 179.9° | 180.0° |
| H39 | C39 | C40 | C41 | 179.7° | 180.0° |
| H39 | C39 | C40 | H40 | 0.3° | 0.0° |
| C40 | C41 | C42 | H41 | 180.0° | 180.0° |
| C40 | C41 | C42 | C43 | 0.2° | 0.2° |
| C40 | C41 | C42 | H42 | 179.8° | 180.0° |
| H40 | C40 | C41 | C42 | 179.9° | 180.0° |
| H40 | C40 | C41 | H41 | 0.1° | 0.0° |
| C41 | C42 | C43 | H42 | 180.0° | 179.8° |
| C41 | C42 | C43 | H43 | 179.4° | 179.7° |
| H41 | C41 | C42 | C43 | 179.8° | 179.8° |
| H41 | C41 | C42 | H42 | 0.2° | 0.0° |
| H42 | C42 | C43 | H43 | 0.6° | 0.1° |
| H44 | C44 | H44A | H44B | 120.0° | 120.0° |
| HL7 | CL7 | HL7A | HL7B | 120.0° | 120.0° |
