HV1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C14 | sing | 1.54Å | 1.54Å | |
| N1 | N2 | sing | 1.38Å | 1.32Å | |
| C4 | C25 | sing | 1.53Å | 1.49Å | |
| N1 | C25 | sing | 1.39Å | 1.39Å | |
| O50 | C25 | doub | 1.23Å | 1.25Å | |
| N2 | C42 | sing | 1.38Å | 1.34Å | |
| C36 | O37 | sing | 1.43Å | 1.44Å | |
| N3 | C38 | sing | 1.38Å | 1.33Å | |
| O37 | C38 | sing | 1.37Å | 1.41Å | |
| C38 | O39 | doub | 1.23Å | 1.23Å | |
| N3 | C41 | sing | 1.44Å | 1.48Å | |
| C42 | C41 | sing | 1.53Å | 1.48Å | |
| C41 | C35 | sing | 1.56Å | 1.60Å | |
| C35 | C47 | sing | 1.54Å | 1.55Å | |
| C35 | C46 | sing | 1.54Å | 1.52Å | |
| C35 | C45 | sing | 1.54Å | 1.56Å | |
| C42 | O44 | doub | 1.23Å | 1.25Å | |
| N1 | C27 | sing | 1.45Å | 1.49Å | |
| C27 | C28 | sing | 1.50Å | 1.48Å | |
| C28 | C29 | sing | 1.39Å | 1.41Å | |
| C29 | C30 | doub | 1.40Å | 1.40Å | |
| C30 | C31 | sing | 1.39Å | 1.41Å | |
| C31 | BR | sing | 1.89Å | 1.88Å | |
| C31 | C32 | doub | 1.39Å | 1.42Å | |
| C28 | C33 | doub | 1.39Å | 1.37Å | |
| C32 | C33 | sing | 1.40Å | 1.38Å | |
| C14 | C1 | sing | 1.55Å | 1.56Å | |
| C1 | O22 | sing | 1.43Å | 1.46Å | |
| C1 | C15 | sing | 1.55Å | 1.54Å | |
| C15 | C16 | sing | 1.51Å | 1.52Å | |
| C16 | C17 | sing | 1.38Å | 1.42Å | |
| C17 | C18 | doub | 1.40Å | 1.40Å | |
| C18 | C19 | sing | 1.39Å | 1.40Å | |
| C19 | C20 | doub | 1.39Å | 1.41Å | |
| C16 | C21 | doub | 1.38Å | 1.42Å | |
| C20 | C21 | sing | 1.39Å | 1.41Å | |
| C1 | C2 | sing | 1.54Å | 1.59Å | |
| C2 | O3 | doub | 1.23Å | 1.24Å | |
| C2 | N4 | sing | 1.39Å | 1.37Å | |
| N4 | C5 | sing | 1.44Å | 1.52Å | |
| C5 | C6 | sing | 1.50Å | 1.48Å | |
| C6 | C7 | sing | 1.39Å | 1.47Å | |
| C7 | C8 | doub | 1.40Å | 1.47Å | |
| C8 | C9 | sing | 1.40Å | 1.47Å | |
| C9 | C10 | doub | 1.40Å | 1.47Å | |
| C6 | C11 | doub | 1.40Å | 1.44Å | |
| C10 | C11 | sing | 1.38Å | 1.46Å | |
| C11 | C12 | sing | 1.50Å | 1.53Å | |
| C5 | C13 | sing | 1.55Å | 1.55Å | |
| C12 | C13 | sing | 1.54Å | 1.55Å | |
| C13 | O14 | sing | 1.43Å | 1.44Å | |
| C4 | H4C1 | sing | 1.09Å | 1.10Å | |
| C4 | H4C2 | sing | 1.10Å | 1.10Å | |
| C14 | H141 | sing | 1.10Å | 1.10Å | |
| C14 | H142 | sing | 1.10Å | 1.10Å | |
| N2 | H2 | sing | 1.01Å | 1.00Å | |
| C27 | H271 | sing | 1.10Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| N3 | H3 | sing | 1.01Å | 1.00Å | |
| C41 | H41 | sing | 1.10Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.10Å | 1.10Å | |
| C47 | H473 | sing | 1.10Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.10Å | 1.10Å | |
| C46 | H463 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.10Å | 1.10Å | |
| C45 | H452 | sing | 1.10Å | 1.10Å | |
| C45 | H453 | sing | 1.10Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.08Å | |
| C33 | H33 | sing | 1.09Å | 1.08Å | |
| C30 | H30 | sing | 1.09Å | 1.08Å | |
| C32 | H32 | sing | 1.09Å | 1.08Å | |
| O22 | H22 | sing | 0.97Å | 0.95Å | |
| C15 | H151 | sing | 1.10Å | 1.10Å | |
| C15 | H152 | sing | 1.10Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.08Å | |
| C21 | H21 | sing | 1.09Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.08Å | |
| C19 | H19 | sing | 1.09Å | 1.08Å | |
| C20 | H20 | sing | 1.09Å | 1.08Å | |
| N4 | H4 | sing | 1.01Å | 1.00Å | |
| C5 | H5 | sing | 1.10Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.10Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| O14 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C4 | C25 | 110.5° | 114.2° |
| C4 | C14 | C1 | 113.0° | 115.0° |
| C14 | C4 | H4C1 | 109.1° | 109.6° |
| C14 | C4 | H4C2 | 108.9° | 108.4° |
| C4 | C14 | H141 | 108.3° | 108.1° |
| C4 | C14 | H142 | 107.5° | 107.8° |
| N2 | N1 | C25 | 125.0° | 123.4° |
| N1 | N2 | C42 | 116.2° | 119.7° |
| N2 | N1 | C27 | 116.9° | 113.1° |
| N1 | N2 | H2 | 121.9° | 116.6° |
| C4 | C25 | N1 | 121.7° | 116.3° |
| C4 | C25 | O50 | 112.0° | 120.8° |
| C25 | C4 | H4C1 | 109.1° | 111.7° |
| C25 | C4 | H4C2 | 108.9° | 105.9° |
| N1 | C25 | O50 | 126.3° | 122.9° |
| C25 | N1 | C27 | 101.0° | 123.4° |
| N2 | C42 | C41 | 112.5° | 114.5° |
| N2 | C42 | O44 | 121.5° | 124.4° |
| C42 | N2 | H2 | 121.9° | 123.7° |
| C36 | O37 | C38 | 118.5° | 115.8° |
| O37 | C36 | H361 | 109.5° | 109.5° |
| O37 | C36 | H362 | 109.4° | 109.5° |
| O37 | C36 | H363 | 109.5° | 109.0° |
| N3 | C38 | O37 | 108.7° | 109.6° |
| N3 | C38 | O39 | 127.1° | 125.8° |
| C38 | N3 | C41 | 123.2° | 123.7° |
| C38 | N3 | H3 | 118.4° | 118.2° |
| O37 | C38 | O39 | 124.2° | 124.6° |
| N3 | C41 | C42 | 108.4° | 108.5° |
| N3 | C41 | C35 | 104.3° | 112.9° |
| C41 | N3 | H3 | 118.4° | 118.1° |
| N3 | C41 | H41 | 116.9° | 105.0° |
| C42 | C41 | C35 | 117.9° | 114.3° |
| C41 | C42 | O44 | 125.9° | 120.8° |
| C42 | C41 | H41 | 102.9° | 106.3° |
| C41 | C35 | C47 | 115.8° | 110.1° |
| C41 | C35 | C46 | 107.9° | 112.9° |
| C41 | C35 | C45 | 111.7° | 109.5° |
| C35 | C41 | H41 | 107.1° | 109.2° |
| C47 | C35 | C46 | 108.2° | 108.3° |
| C47 | C35 | C45 | 105.0° | 107.5° |
| C35 | C47 | H471 | 109.5° | 111.7° |
| C35 | C47 | H472 | 109.5° | 111.1° |
| C35 | C47 | H473 | 109.4° | 111.1° |
| C46 | C35 | C45 | 107.9° | 108.4° |
| C35 | C46 | H461 | 109.5° | 111.9° |
| C35 | C46 | H462 | 109.4° | 110.8° |
| C35 | C46 | H463 | 109.5° | 111.7° |
| C35 | C45 | H451 | 109.5° | 111.2° |
| C35 | C45 | H452 | 109.5° | 111.1° |
| C35 | C45 | H453 | 109.5° | 111.7° |
| N1 | C27 | C28 | 119.0° | 112.0° |
| N1 | C27 | H271 | 106.4° | 107.9° |
| N1 | C27 | H272 | 104.2° | 107.8° |
| C27 | C28 | C29 | 122.0° | 119.7° |
| C27 | C28 | C33 | 115.2° | 119.6° |
| C28 | C27 | H271 | 106.4° | 110.6° |
| C28 | C27 | H272 | 104.2° | 111.1° |
| C28 | C29 | C30 | 119.1° | 119.6° |
| C29 | C28 | C33 | 122.8° | 120.7° |
| C28 | C29 | H29 | 120.4° | 120.8° |
| C29 | C30 | C31 | 118.8° | 120.0° |
| C30 | C29 | H29 | 120.5° | 119.5° |
| C29 | C30 | H30 | 120.6° | 119.0° |
| C30 | C31 | BR | 125.1° | 120.0° |
| C30 | C31 | C32 | 119.8° | 120.0° |
| C31 | C30 | H30 | 120.6° | 121.0° |
| BR | C31 | C32 | 115.1° | 120.0° |
| C31 | C32 | C33 | 121.1° | 120.0° |
| C31 | C32 | H32 | 119.5° | 121.0° |
| C28 | C33 | C32 | 118.3° | 119.6° |
| C28 | C33 | H33 | 120.8° | 120.9° |
| C32 | C33 | H33 | 120.9° | 119.5° |
| C33 | C32 | H32 | 119.4° | 119.0° |
| C14 | C1 | O22 | 103.8° | 108.5° |
| C14 | C1 | C15 | 104.0° | 112.7° |
| C14 | C1 | C2 | 119.1° | 111.9° |
| C1 | C14 | H141 | 108.3° | 109.6° |
| C1 | C14 | H142 | 107.5° | 109.4° |
| O22 | C1 | C15 | 109.5° | 108.9° |
| O22 | C1 | C2 | 113.7° | 105.7° |
| C1 | O22 | H22 | 109.5° | 106.4° |
| C1 | C15 | C16 | 115.9° | 115.3° |
| C15 | C1 | C2 | 106.2° | 109.0° |
| C1 | C15 | H151 | 107.4° | 109.5° |
| C1 | C15 | H152 | 105.9° | 110.4° |
| C15 | C16 | C17 | 117.6° | 119.2° |
| C15 | C16 | C21 | 120.4° | 119.3° |
| C16 | C15 | H151 | 107.4° | 107.6° |
| C16 | C15 | H152 | 105.9° | 108.5° |
| C16 | C17 | C18 | 118.3° | 119.2° |
| C17 | C16 | C21 | 122.0° | 121.5° |
| C16 | C17 | H17 | 120.9° | 121.3° |
| C17 | C18 | C19 | 119.6° | 120.0° |
| C18 | C17 | H17 | 120.9° | 119.5° |
| C17 | C18 | H18 | 120.2° | 119.9° |
| C18 | C19 | C20 | 122.9° | 120.0° |
| C19 | C18 | H18 | 120.2° | 120.0° |
| C18 | C19 | H19 | 118.5° | 120.0° |
| C19 | C20 | C21 | 118.3° | 120.0° |
| C20 | C19 | H19 | 118.5° | 120.0° |
| C19 | C20 | H20 | 120.9° | 120.0° |
| C16 | C21 | C20 | 119.0° | 119.3° |
| C16 | C21 | H21 | 120.5° | 121.2° |
| C20 | C21 | H21 | 120.5° | 119.5° |
| C21 | C20 | H20 | 120.9° | 120.0° |
| C1 | C2 | O3 | 128.1° | 122.0° |
| C1 | C2 | N4 | 108.1° | 114.1° |
| O3 | C2 | N4 | 123.1° | 123.9° |
| C2 | N4 | C5 | 120.1° | 122.3° |
| C2 | N4 | H4 | 119.9° | 120.0° |
| N4 | C5 | C6 | 116.8° | 114.6° |
| N4 | C5 | C13 | 109.6° | 113.5° |
| C5 | N4 | H4 | 119.9° | 117.7° |
| N4 | C5 | H5 | 103.9° | 108.2° |
| C5 | C6 | C7 | 131.2° | 128.9° |
| C5 | C6 | C11 | 106.6° | 110.3° |
| C6 | C5 | C13 | 108.2° | 101.2° |
| C6 | C5 | H5 | 105.3° | 108.6° |
| C6 | C7 | C8 | 117.7° | 118.5° |
| C7 | C6 | C11 | 122.3° | 120.7° |
| C6 | C7 | H7 | 121.2° | 121.2° |
| C7 | C8 | C9 | 120.1° | 120.7° |
| C8 | C7 | H7 | 121.1° | 120.3° |
| C7 | C8 | H8 | 119.9° | 119.7° |
| C8 | C9 | C10 | 121.1° | 120.6° |
| C9 | C8 | H8 | 119.9° | 119.6° |
| C8 | C9 | H9 | 119.5° | 119.6° |
| C9 | C10 | C11 | 118.1° | 118.3° |
| C10 | C9 | H9 | 119.5° | 119.8° |
| C9 | C10 | H10 | 120.9° | 120.5° |
| C6 | C11 | C10 | 120.7° | 121.2° |
| C6 | C11 | C12 | 110.5° | 111.2° |
| C10 | C11 | C12 | 128.8° | 127.5° |
| C11 | C10 | H10 | 120.9° | 121.2° |
| C11 | C12 | C13 | 103.3° | 101.1° |
| C11 | C12 | H121 | 111.6° | 109.4° |
| C11 | C12 | H122 | 112.9° | 111.6° |
| C5 | C13 | C12 | 101.4° | 106.3° |
| C5 | C13 | O14 | 113.9° | 110.3° |
| C13 | C5 | H5 | 113.1° | 110.5° |
| C5 | C13 | H13 | 110.8° | 112.3° |
| C12 | C13 | O14 | 105.7° | 108.8° |
| C12 | C13 | H13 | 118.4° | 112.3° |
| C13 | C12 | H121 | 111.5° | 111.2° |
| C13 | C12 | H122 | 112.9° | 112.3° |
| O14 | C13 | H13 | 106.8° | 106.9° |
| C13 | O14 | H14 | 109.5° | 106.2° |
| H4C1 | C4 | H4C2 | 110.3° | 106.7° |
| H141 | C14 | H142 | 112.3° | 106.7° |
| H271 | C27 | H272 | 117.3° | 107.3° |
| H361 | C36 | H362 | 109.5° | 110.1° |
| H361 | C36 | H363 | 109.4° | 109.3° |
| H362 | C36 | H363 | 109.5° | 109.3° |
| H471 | C47 | H472 | 109.4° | 108.0° |
| H471 | C47 | H473 | 109.5° | 107.1° |
| H472 | C47 | H473 | 109.5° | 107.6° |
| H461 | C46 | H462 | 109.5° | 107.1° |
| H461 | C46 | H463 | 109.4° | 108.1° |
| H462 | C46 | H463 | 109.5° | 106.9° |
| H451 | C45 | H452 | 109.5° | 107.6° |
| H451 | C45 | H453 | 109.4° | 107.1° |
| H452 | C45 | H453 | 109.5° | 108.0° |
| H151 | C15 | H152 | 114.6° | 105.0° |
| H121 | C12 | H122 | 104.9° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C4 | C25 | H4C1 | 120.0° | 125.0° |
| C14 | C4 | C25 | H4C2 | 119.5° | 119.2° |
| C14 | C4 | C25 | N1 | 69.5° | 180.0° |
| C14 | C4 | C25 | O50 | 109.0° | 2.5° |
| C4 | C14 | C1 | H141 | 120.0° | 122.0° |
| C4 | C14 | C1 | H142 | 118.5° | 121.4° |
| C4 | C14 | C1 | O22 | 53.2° | 54.3° |
| C4 | C14 | C1 | C15 | 167.7° | 174.9° |
| C4 | C14 | C1 | C2 | 74.5° | 61.9° |
| C14 | C4 | H4C1 | H4C2 | 119.6° | 117.2° |
| C4 | C14 | H141 | H142 | 118.5° | 115.7° |
| N2 | N1 | C25 | C4 | 25.4° | 2.5° |
| N2 | N1 | C25 | C27 | 134.4° | 180.0° |
| N2 | N1 | C25 | O50 | 156.4° | 180.0° |
| N1 | N2 | C42 | H2 | 180.0° | 178.8° |
| N1 | N2 | C42 | C41 | 179.7° | 173.8° |
| N1 | N2 | C42 | O44 | 0.3° | 0.1° |
| N2 | N1 | C27 | C28 | 3.0° | 90.0° |
| N2 | N1 | C27 | H271 | 117.0° | 148.1° |
| N2 | N1 | C27 | H272 | 118.4° | 32.5° |
| C4 | C25 | N1 | O50 | 178.2° | 177.5° |
| C4 | C25 | N1 | C27 | 159.8° | 177.5° |
| C25 | C4 | C14 | C1 | 95.8° | 177.3° |
| C25 | C4 | H4C1 | H4C2 | 119.6° | 115.2° |
| C25 | C4 | C14 | H141 | 144.2° | 60.0° |
| C25 | C4 | C14 | H142 | 22.7° | 54.9° |
| C25 | N1 | N2 | C42 | 122.9° | 88.8° |
| C25 | N1 | C27 | C28 | 142.0° | 90.0° |
| N1 | C25 | C4 | H4C1 | 50.5° | 54.9° |
| N1 | C25 | C4 | H4C2 | 171.0° | 60.8° |
| C25 | N1 | N2 | H2 | 57.1° | 90.0° |
| C25 | N1 | C27 | H271 | 22.0° | 32.0° |
| C25 | N1 | C27 | H272 | 102.6° | 147.6° |
| O50 | C25 | N1 | C27 | 22.0° | 0.0° |
| O50 | C25 | C4 | H4C1 | 131.0° | 127.5° |
| O50 | C25 | C4 | H4C2 | 10.6° | 116.7° |
| N2 | C42 | C41 | N3 | 96.2° | 148.4° |
| N2 | C42 | C41 | O44 | 180.0° | 174.1° |
| N2 | C42 | C41 | C35 | 145.8° | 84.6° |
| C42 | N2 | N1 | C27 | 109.0° | 91.2° |
| N2 | C42 | C41 | H41 | 28.2° | 36.0° |
| C36 | O37 | C38 | N3 | 106.2° | 180.0° |
| C36 | O37 | C38 | O39 | 73.9° | 0.1° |
| O37 | C36 | H361 | H362 | 120.0° | 120.5° |
| O37 | C36 | H361 | H363 | 120.0° | 119.4° |
| O37 | C36 | H362 | H363 | 120.0° | 119.4° |
| N3 | C38 | O37 | O39 | 180.0° | 179.9° |
| C38 | N3 | C41 | H3 | 180.0° | 180.0° |
| C38 | N3 | C41 | C42 | 114.3° | 83.3° |
| C38 | N3 | C41 | C35 | 119.2° | 148.9° |
| C38 | N3 | C41 | H41 | 1.2° | 30.0° |
| O37 | C38 | N3 | C41 | 179.8° | 179.9° |
| O37 | C38 | N3 | H3 | 0.2° | 0.0° |
| C38 | O37 | C36 | H361 | 40.0° | 3.6° |
| C38 | O37 | C36 | H362 | 80.0° | 124.4° |
| C38 | O37 | C36 | H363 | 159.9° | 116.0° |
| O39 | C38 | N3 | C41 | 0.2° | 0.0° |
| O39 | C38 | N3 | H3 | 179.8° | 180.0° |
| N3 | C41 | C42 | C35 | 118.1° | 127.0° |
| N3 | C41 | C42 | H41 | 124.4° | 112.4° |
| N3 | C41 | C35 | H41 | 124.5° | 116.4° |
| N3 | C41 | C35 | C47 | 59.6° | 56.3° |
| N3 | C41 | C35 | C46 | 179.0° | 64.8° |
| N3 | C41 | C35 | C45 | 60.6° | 174.4° |
| N3 | C41 | C42 | O44 | 83.8° | 37.5° |
| C42 | C41 | C35 | H41 | 115.3° | 118.9° |
| C42 | C41 | C35 | C47 | 60.6° | 178.9° |
| C42 | C41 | C35 | C46 | 60.9° | 59.9° |
| C42 | C41 | C35 | C45 | 179.3° | 60.9° |
| C41 | C42 | N2 | H2 | 0.3° | 7.5° |
| C42 | C41 | N3 | H3 | 65.6° | 96.7° |
| C41 | C35 | C47 | C46 | 121.3° | 123.9° |
| C41 | C35 | C47 | C45 | 123.7° | 119.2° |
| C41 | C35 | C46 | C45 | 120.8° | 121.5° |
| C35 | C41 | C42 | O44 | 34.2° | 89.5° |
| C35 | C41 | N3 | H3 | 60.8° | 31.1° |
| C41 | C35 | C47 | H471 | 14.5° | 66.4° |
| C41 | C35 | C47 | H472 | 134.5° | 54.3° |
| C41 | C35 | C47 | H473 | 105.5° | 174.1° |
| C41 | C35 | C46 | H461 | 6.4° | 58.1° |
| C41 | C35 | C46 | H462 | 126.4° | 177.6° |
| C41 | C35 | C46 | H463 | 113.6° | 63.3° |
| C41 | C35 | C45 | H451 | 173.0° | 175.9° |
| C41 | C35 | C45 | H452 | 66.9° | 56.1° |
| C41 | C35 | C45 | H453 | 53.1° | 64.5° |
| C47 | C35 | C46 | C45 | 113.1° | 116.4° |
| C47 | C35 | C41 | H41 | 175.9° | 60.0° |
| C35 | C47 | H471 | H472 | 120.0° | 122.5° |
| C35 | C47 | H471 | H473 | 120.0° | 121.9° |
| C35 | C47 | H472 | H473 | 120.0° | 121.9° |
| C47 | C35 | C46 | H461 | 132.5° | 179.8° |
| C47 | C35 | C46 | H462 | 107.5° | 60.3° |
| C47 | C35 | C46 | H463 | 12.5° | 58.9° |
| C47 | C35 | C45 | H451 | 46.7° | 56.3° |
| C47 | C35 | C45 | H452 | 166.7° | 63.4° |
| C47 | C35 | C45 | H453 | 73.3° | 175.9° |
| C46 | C35 | C41 | H41 | 54.5° | 178.8° |
| C46 | C35 | C47 | H471 | 106.8° | 57.5° |
| C46 | C35 | C47 | H472 | 13.2° | 178.2° |
| C46 | C35 | C47 | H473 | 133.2° | 62.0° |
| C35 | C46 | H461 | H462 | 120.0° | 121.7° |
| C35 | C46 | H461 | H463 | 120.0° | 123.4° |
| C35 | C46 | H462 | H463 | 120.0° | 121.9° |
| C46 | C35 | C45 | H451 | 68.5° | 60.5° |
| C46 | C35 | C45 | H452 | 51.5° | 179.7° |
| C46 | C35 | C45 | H453 | 171.5° | 59.1° |
| C45 | C35 | C41 | H41 | 63.9° | 58.0° |
| C45 | C35 | C47 | H471 | 138.3° | 174.4° |
| C45 | C35 | C47 | H472 | 101.8° | 64.9° |
| C45 | C35 | C47 | H473 | 18.3° | 54.9° |
| C45 | C35 | C46 | H461 | 114.4° | 63.4° |
| C45 | C35 | C46 | H462 | 5.6° | 56.1° |
| C45 | C35 | C46 | H463 | 125.6° | 175.2° |
| C35 | C45 | H451 | H452 | 120.0° | 121.9° |
| C35 | C45 | H451 | H453 | 120.0° | 122.3° |
| C35 | C45 | H452 | H453 | 120.0° | 122.8° |
| O44 | C42 | N2 | H2 | 179.7° | 178.7° |
| O44 | C42 | C41 | H41 | 151.8° | 150.0° |
| N1 | C27 | C28 | H271 | 120.0° | 120.4° |
| N1 | C27 | C28 | H272 | 115.4° | 120.6° |
| N1 | C27 | C28 | C29 | 90.6° | 89.9° |
| N1 | C27 | C28 | C33 | 89.7° | 90.0° |
| C27 | N1 | N2 | H2 | 71.1° | 89.9° |
| N1 | C27 | H271 | H272 | 116.1° | 115.9° |
| C27 | C28 | C29 | C33 | 179.6° | 179.9° |
| C27 | C28 | C29 | C30 | 179.5° | 179.9° |
| C27 | C28 | C33 | C32 | 179.5° | 180.0° |
| C28 | C27 | H271 | H272 | 116.1° | 121.3° |
| C27 | C28 | C29 | H29 | 0.5° | 0.0° |
| C27 | C28 | C33 | H33 | 0.5° | 0.1° |
| C28 | C29 | C30 | H29 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.1° | 0.0° |
| C29 | C28 | C33 | C32 | 0.1° | 0.0° |
| C29 | C28 | C27 | H271 | 149.4° | 30.4° |
| C29 | C28 | C27 | H272 | 24.8° | 149.5° |
| C29 | C28 | C33 | H33 | 179.9° | 180.0° |
| C28 | C29 | C30 | H30 | 179.9° | 180.0° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| C29 | C30 | C31 | BR | 179.3° | 180.0° |
| C29 | C30 | C31 | C32 | 0.2° | 0.1° |
| C30 | C29 | C28 | C33 | 0.1° | 0.0° |
| C30 | C31 | BR | C32 | 179.6° | 180.0° |
| C30 | C31 | C32 | C33 | 0.2° | 0.0° |
| C31 | C30 | C29 | H29 | 179.9° | 180.0° |
| C30 | C31 | C32 | H32 | 179.8° | 180.0° |
| BR | C31 | C32 | C33 | 179.5° | 180.0° |
| BR | C31 | C30 | H30 | 0.7° | 0.0° |
| BR | C31 | C32 | H32 | 0.5° | 0.0° |
| C31 | C32 | C33 | C28 | 0.0° | 0.0° |
| C31 | C32 | C33 | H32 | 180.0° | 180.0° |
| C31 | C32 | C33 | H33 | 180.0° | 180.0° |
| C32 | C31 | C30 | H30 | 179.7° | 180.0° |
| C28 | C33 | C32 | H33 | 180.0° | 180.0° |
| C33 | C28 | C27 | H271 | 30.3° | 149.6° |
| C33 | C28 | C27 | H272 | 154.9° | 30.6° |
| C33 | C28 | C29 | H29 | 179.9° | 180.0° |
| C28 | C33 | C32 | H32 | 180.0° | 180.0° |
| C14 | C1 | O22 | C15 | 110.6° | 123.0° |
| C14 | C1 | O22 | C2 | 130.9° | 120.1° |
| C14 | C1 | C15 | C2 | 126.4° | 124.8° |
| C14 | C1 | C15 | C16 | 178.8° | 55.2° |
| C14 | C1 | C2 | O3 | 53.4° | 114.8° |
| C14 | C1 | C2 | N4 | 135.8° | 65.3° |
| C1 | C14 | C4 | H4C1 | 144.2° | 56.6° |
| C1 | C14 | C4 | H4C2 | 23.7° | 59.5° |
| C1 | C14 | H141 | H142 | 118.5° | 118.3° |
| C14 | C1 | O22 | H22 | 64.4° | 0.3° |
| C14 | C1 | C15 | H151 | 58.8° | 66.3° |
| C14 | C1 | C15 | H152 | 64.1° | 178.6° |
| O22 | C1 | C15 | C2 | 123.1° | 114.8° |
| O22 | C1 | C15 | C16 | 68.4° | 65.2° |
| O22 | C1 | C2 | O3 | 176.3° | 3.0° |
| O22 | C1 | C2 | N4 | 12.9° | 176.9° |
| O22 | C1 | C14 | H141 | 66.9° | 176.2° |
| O22 | C1 | C14 | H142 | 171.6° | 67.2° |
| O22 | C1 | C15 | H151 | 51.6° | 173.3° |
| O22 | C1 | C15 | H152 | 174.5° | 58.2° |
| C1 | C15 | C16 | H151 | 120.0° | 122.5° |
| C1 | C15 | C16 | H152 | 117.1° | 124.4° |
| C1 | C15 | C16 | C17 | 117.2° | 90.0° |
| C1 | C15 | C16 | C21 | 62.5° | 90.0° |
| C15 | C1 | C2 | O3 | 63.3° | 119.9° |
| C15 | C1 | C2 | N4 | 107.5° | 60.0° |
| C15 | C1 | C14 | H141 | 47.6° | 63.1° |
| C15 | C1 | C14 | H142 | 73.9° | 53.5° |
| C15 | C1 | O22 | H22 | 175.0° | 123.3° |
| C1 | C15 | H151 | H152 | 117.3° | 118.5° |
| C15 | C16 | C17 | C21 | 179.7° | 180.0° |
| C15 | C16 | C17 | C18 | 179.6° | 180.0° |
| C15 | C16 | C21 | C20 | 179.6° | 180.0° |
| C16 | C15 | C1 | C2 | 54.7° | 180.0° |
| C16 | C15 | H151 | H152 | 117.3° | 115.4° |
| C15 | C16 | C17 | H17 | 0.4° | 0.0° |
| C15 | C16 | C21 | H21 | 0.4° | 0.1° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.0° | 0.0° |
| C17 | C16 | C21 | C20 | 0.1° | 0.1° |
| C17 | C16 | C15 | H151 | 122.8° | 147.5° |
| C17 | C16 | C15 | H152 | 0.2° | 34.4° |
| C17 | C16 | C21 | H21 | 179.9° | 180.0° |
| C16 | C17 | C18 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.1° | 0.0° |
| C18 | C17 | C16 | C21 | 0.1° | 0.0° |
| C17 | C18 | C19 | H19 | 179.9° | 180.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.1° | NaN° |
| C19 | C18 | C17 | H17 | 180.0° | 180.0° |
| C18 | C19 | C20 | H20 | 179.9° | 180.0° |
| C19 | C20 | C21 | C16 | 0.0° | 0.1° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | H21 | 180.0° | 180.0° |
| C20 | C19 | C18 | H18 | 179.9° | 180.0° |
| C16 | C21 | C20 | H21 | 180.0° | 179.9° |
| C21 | C16 | C15 | H151 | 57.5° | 32.5° |
| C21 | C16 | C15 | H152 | 179.6° | 145.6° |
| C21 | C16 | C17 | H17 | 179.9° | 179.9° |
| C16 | C21 | C20 | H20 | 180.0° | 180.0° |
| C21 | C20 | C19 | H19 | 179.9° | 180.0° |
| C1 | C2 | O3 | N4 | 169.5° | 179.9° |
| C1 | C2 | N4 | C5 | 169.6° | 179.9° |
| C2 | C1 | C14 | H141 | 165.5° | 60.1° |
| C2 | C1 | C14 | H142 | 44.0° | 176.7° |
| C2 | C1 | O22 | H22 | 66.5° | 119.8° |
| C2 | C1 | C15 | H151 | 174.8° | 58.5° |
| C2 | C1 | C15 | H152 | 62.3° | 56.6° |
| C1 | C2 | N4 | H4 | 10.4° | 2.8° |
| O3 | C2 | N4 | C5 | 1.7° | 0.0° |
| O3 | C2 | N4 | H4 | 178.3° | 177.2° |
| C2 | N4 | C5 | H4 | 180.0° | 177.2° |
| C2 | N4 | C5 | C6 | 101.0° | 153.4° |
| C2 | N4 | C5 | C13 | 135.6° | 90.9° |
| C2 | N4 | C5 | H5 | 14.4° | 32.0° |
| N4 | C5 | C6 | C13 | 124.2° | 122.6° |
| N4 | C5 | C6 | H5 | 114.6° | 121.1° |
| N4 | C5 | C6 | C7 | 36.3° | 41.6° |
| N4 | C5 | C6 | C11 | 143.8° | 141.8° |
| N4 | C5 | C13 | H5 | 115.4° | 121.7° |
| N4 | C5 | C13 | C12 | 159.1° | 153.6° |
| N4 | C5 | C13 | O14 | 46.0° | 35.9° |
| N4 | C5 | C13 | H13 | 74.4° | 83.3° |
| C5 | C6 | C7 | C11 | 179.9° | 176.3° |
| C5 | C6 | C7 | C8 | 180.0° | 177.5° |
| C5 | C6 | C11 | C10 | 179.9° | 177.4° |
| C5 | C6 | C11 | C12 | 0.2° | 0.6° |
| C6 | C5 | C13 | H5 | 116.3° | 114.9° |
| C6 | C5 | C13 | C12 | 30.7° | 30.2° |
| C6 | C5 | C13 | O14 | 82.3° | 87.5° |
| C6 | C5 | N4 | H4 | 79.0° | 23.8° |
| C6 | C5 | C13 | H13 | 157.3° | 153.4° |
| C5 | C6 | C7 | H7 | 0.1° | 2.4° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.0° | 0.9° |
| C7 | C6 | C11 | C10 | 0.2° | 0.5° |
| C7 | C6 | C11 | C12 | 179.8° | 177.6° |
| C7 | C6 | C5 | C13 | 160.5° | 164.2° |
| C7 | C6 | C5 | H5 | 78.3° | 79.5° |
| C6 | C7 | C8 | H8 | 180.0° | 179.7° |
| C7 | C8 | C9 | H8 | 180.0° | 179.4° |
| C7 | C8 | C9 | C10 | 0.1° | 0.0° |
| C8 | C7 | C6 | C11 | 0.1° | 1.1° |
| C7 | C8 | C9 | H9 | 179.8° | 179.5° |
| C8 | C9 | C10 | H9 | 180.0° | 179.5° |
| C8 | C9 | C10 | C11 | 0.1° | 0.7° |
| C9 | C8 | C7 | H7 | 180.0° | 179.0° |
| C8 | C9 | C10 | H10 | 179.9° | 179.2° |
| C9 | C10 | C11 | C6 | 0.1° | 0.5° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 179.9° | 178.2° |
| C10 | C9 | C8 | H8 | 179.9° | 179.4° |
| C6 | C11 | C10 | C12 | 179.9° | 177.7° |
| C11 | C6 | C5 | C13 | 19.6° | 19.2° |
| C6 | C11 | C12 | C13 | 19.3° | 18.2° |
| C11 | C6 | C5 | H5 | 101.6° | 97.1° |
| C11 | C6 | C7 | H7 | 179.9° | 178.7° |
| C6 | C11 | C10 | H10 | 179.9° | 179.4° |
| C6 | C11 | C12 | H121 | 100.6° | 99.2° |
| C6 | C11 | C12 | H122 | 141.6° | 137.8° |
| C10 | C11 | C12 | C13 | 160.7° | 163.9° |
| C11 | C10 | C9 | H9 | 179.9° | 179.8° |
| C10 | C11 | C12 | H121 | 79.3° | 78.7° |
| C10 | C11 | C12 | H122 | 38.5° | 44.3° |
| C11 | C12 | C13 | C5 | 29.1° | 29.8° |
| C11 | C12 | C13 | H121 | 120.0° | 116.0° |
| C11 | C12 | C13 | H122 | 122.3° | 119.0° |
| C11 | C12 | C13 | O14 | 90.0° | 89.0° |
| C11 | C12 | C13 | H13 | 150.4° | 152.9° |
| C12 | C11 | C10 | H10 | 0.1° | 1.7° |
| C11 | C12 | H121 | H122 | 122.5° | 123.4° |
| C5 | C13 | C12 | O14 | 119.1° | 118.7° |
| C5 | C13 | C12 | H13 | 121.4° | 123.2° |
| C5 | C13 | O14 | H13 | 122.6° | 122.4° |
| C13 | C5 | N4 | H4 | 44.5° | 91.9° |
| C5 | C13 | C12 | H121 | 90.9° | 86.3° |
| C5 | C13 | C12 | H122 | 151.3° | 148.8° |
| C5 | C13 | O14 | H14 | 54.3° | 147.5° |
| C12 | C13 | O14 | H13 | 126.9° | 121.5° |
| C12 | C13 | C5 | H5 | 85.5° | 84.7° |
| C13 | C12 | H121 | H122 | 122.5° | 125.7° |
| C12 | C13 | O14 | H14 | 56.1° | 96.4° |
| O14 | C13 | C5 | H5 | 161.4° | 157.6° |
| O14 | C13 | C12 | H121 | 150.0° | 155.0° |
| O14 | C13 | C12 | H122 | 32.2° | 30.1° |
| H4C1 | C4 | C14 | H141 | 24.2° | 66.2° |
| H4C1 | C4 | C14 | H142 | 97.4° | 178.9° |
| H4C2 | C4 | C14 | H141 | 96.3° | 177.7° |
| H4C2 | C4 | C14 | H142 | 142.2° | 62.8° |
| H3 | N3 | C41 | H41 | 178.8° | 150.0° |
| H361 | C36 | H362 | H363 | 120.0° | 120.1° |
| H471 | C47 | H472 | H473 | 120.0° | 115.3° |
| H461 | C46 | H462 | H463 | 120.0° | 115.7° |
| H451 | C45 | H452 | H453 | 119.9° | 115.3° |
| H29 | C29 | C30 | H30 | 0.1° | 0.0° |
| H33 | C33 | C32 | H32 | 0.0° | 0.0° |
| H17 | C17 | C18 | H18 | 0.0° | 0.1° |
| H21 | C21 | C20 | H20 | 0.0° | 0.1° |
| H18 | C18 | C19 | H19 | 0.1° | 0.1° |
| H19 | C19 | C20 | H20 | 0.1° | 0.0° |
| H4 | N4 | C5 | H5 | 165.6° | 145.2° |
| H5 | C5 | C13 | H13 | 41.0° | 38.4° |
| H13 | C13 | C12 | H121 | 30.4° | 36.9° |
| H13 | C13 | C12 | H122 | 87.3° | 88.0° |
| H13 | C13 | O14 | H14 | 177.0° | 25.1° |
| H7 | C7 | C8 | H8 | 0.0° | 0.4° |
| H8 | C8 | C9 | H9 | 0.2° | 0.1° |
| H9 | C9 | C10 | H10 | 0.1° | 0.3° |
