8V2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | doub | 1.26Å | 1.40Å | |
| C7 | C8 | sing | 1.47Å | 1.39Å | |
| C6 | C5 | sing | 1.48Å | 1.46Å | |
| C23 | C8 | sing | 1.54Å | 1.49Å | |
| C23 | C22 | sing | 1.55Å | 1.48Å | |
| C8 | C21 | sing | 1.52Å | 1.54Å | |
| C5 | C4 | sing | 1.55Å | 1.57Å | |
| C5 | N1 | sing | 1.46Å | 1.51Å | |
| C22 | N2 | sing | 1.48Å | 1.54Å | |
| C4 | C3 | sing | 1.54Å | 1.51Å | |
| C3 | C2 | sing | 1.54Å | 1.51Å | |
| C21 | N2 | sing | 1.46Å | 1.44Å | |
| C21 | C25 | sing | 1.46Å | 1.46Å | |
| N1 | C25 | sing | 1.33Å | 1.32Å | |
| N1 | C2 | sing | 1.48Å | 1.49Å | |
| N2 | C20 | sing | 1.35Å | 1.31Å | |
| C25 | O7 | doub | 1.21Å | 1.26Å | |
| C2 | C1 | sing | 1.51Å | 1.43Å | |
| C17 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C14 | doub | 1.38Å | 1.42Å | Aromatic |
| C19 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C10 | sing | 1.51Å | 1.43Å | |
| C20 | O6 | doub | 1.21Å | 1.25Å | |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.51Å | 1.37Å | |
| C1 | O2 | sing | 1.34Å | 1.38Å | |
| C1 | O1 | doub | 1.21Å | 1.25Å | |
| C15 | CL | sing | 1.74Å | 1.74Å | |
| C10 | C9 | sing | 1.55Å | 1.53Å | |
| C10 | N3 | sing | 1.47Å | 1.46Å | |
| C13 | C12 | sing | 1.53Å | 1.56Å | |
| O2 | C87 | sing | 1.45Å | 1.44Å | |
| C9 | C24 | sing | 1.56Å | 1.52Å | |
| O3 | C31 | doub | 1.21Å | 1.22Å | |
| O4 | C11 | doub | 1.21Å | 1.25Å | |
| N3 | C31 | sing | 1.35Å | 1.33Å | |
| N3 | C27 | sing | 1.48Å | 1.51Å | |
| C31 | C35 | sing | 1.51Å | 1.41Å | |
| C24 | C27 | sing | 1.55Å | 1.55Å | |
| C12 | C11 | sing | 1.51Å | 1.54Å | |
| C12 | N4 | sing | 1.47Å | 1.51Å | |
| C11 | N5 | sing | 1.35Å | 1.38Å | |
| N4 | C32 | sing | 1.35Å | 1.35Å | |
| C27 | C28 | sing | 1.50Å | 1.39Å | |
| N5 | C35 | sing | 1.47Å | 1.45Å | |
| N5 | C30 | sing | 1.47Å | 1.40Å | |
| C35 | C34 | sing | 1.54Å | 1.57Å | |
| C35 | C26 | sing | 1.50Å | 1.42Å | |
| C30 | C29 | sing | 1.55Å | 1.53Å | |
| C32 | O5 | doub | 1.21Å | 1.23Å | |
| C32 | C33 | sing | 1.51Å | 1.54Å | |
| C34 | C29 | sing | 1.55Å | 1.42Å | |
| C28 | C26 | doub | 1.30Å | 1.40Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H93 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H36 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C2 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H94 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H4B | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C33 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H4A | sing | 1.09Å | 1.10Å | |
| C34 | H39 | 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 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C87 | H87 | sing | 1.09Å | 1.10Å | |
| C87 | H95 | sing | 1.09Å | 1.10Å | |
| C87 | H96 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| N4 | H43 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C7 | C8 | 129.1° | 130.4° |
| C7 | C6 | C5 | 128.4° | 133.4° |
| C6 | C7 | H7 | 115.5° | 114.8° |
| C7 | C6 | H6 | 115.8° | 113.3° |
| C7 | C8 | C23 | 115.8° | 114.9° |
| C7 | C8 | C21 | 109.5° | 113.6° |
| C8 | C7 | H7 | 115.5° | 114.8° |
| C7 | C8 | H8 | 111.9° | 109.1° |
| C6 | C5 | C4 | 122.0° | 108.0° |
| C6 | C5 | N1 | 112.5° | 116.6° |
| C6 | C5 | H5 | 107.9° | 108.5° |
| C5 | C6 | H6 | 115.8° | 113.3° |
| C8 | C23 | C22 | 101.3° | 102.2° |
| C23 | C8 | C21 | 98.6° | 101.8° |
| C8 | C23 | H94 | 111.5° | 110.8° |
| C8 | C23 | H23 | 111.5° | 110.9° |
| C23 | C8 | H8 | 110.4° | 108.9° |
| C23 | C22 | N2 | 98.5° | 107.2° |
| C23 | C22 | H93 | 112.1° | 109.9° |
| C23 | C22 | H22 | 112.1° | 110.0° |
| C22 | C23 | H94 | 111.5° | 110.9° |
| C22 | C23 | H23 | 111.5° | 110.8° |
| C8 | C21 | N2 | 104.0° | 105.8° |
| C8 | C21 | C25 | 103.9° | 114.8° |
| C8 | C21 | H21 | 109.6° | 105.9° |
| C21 | C8 | H8 | 109.8° | 108.2° |
| C4 | C5 | N1 | 99.6° | 105.3° |
| C5 | C4 | C3 | 99.8° | 103.8° |
| C5 | C4 | H41 | 111.8° | 110.6° |
| C5 | C4 | H42 | 111.8° | 110.7° |
| C4 | C5 | H5 | 106.6° | 109.0° |
| C5 | N1 | C25 | 117.5° | 129.7° |
| C5 | N1 | C2 | 111.2° | 107.4° |
| N1 | C5 | H5 | 107.3° | 109.1° |
| C22 | N2 | C21 | 108.3° | 107.5° |
| C22 | N2 | C20 | 126.2° | 126.3° |
| N2 | C22 | H93 | 112.1° | 109.9° |
| N2 | C22 | H22 | 112.1° | 109.9° |
| C4 | C3 | C2 | 102.5° | 105.1° |
| C4 | C3 | H31 | 111.2° | 110.4° |
| C4 | C3 | H32 | 111.2° | 110.4° |
| C3 | C4 | H41 | 111.8° | 110.5° |
| C3 | C4 | H42 | 111.9° | 110.6° |
| C3 | C2 | N1 | 101.4° | 108.0° |
| C3 | C2 | C1 | 114.6° | 109.8° |
| C3 | C2 | H25 | 107.4° | 109.8° |
| C2 | C3 | H31 | 111.2° | 110.3° |
| C2 | C3 | H32 | 111.2° | 110.3° |
| N2 | C21 | C25 | 117.0° | 117.7° |
| C21 | N2 | C20 | 125.5° | 126.2° |
| N2 | C21 | H21 | 111.0° | 106.1° |
| C21 | C25 | N1 | 122.7° | 128.0° |
| C21 | C25 | O7 | 120.7° | 116.0° |
| C25 | C21 | H21 | 110.7° | 105.8° |
| C25 | N1 | C2 | 130.7° | 122.8° |
| N1 | C25 | O7 | 116.5° | 116.0° |
| N1 | C2 | C1 | 116.7° | 109.8° |
| N1 | C2 | H25 | 107.6° | 109.7° |
| N2 | C20 | C10 | 119.6° | 120.0° |
| N2 | C20 | O6 | 119.2° | 120.0° |
| C2 | C1 | O2 | 113.1° | 120.0° |
| C2 | C1 | O1 | 123.2° | 120.0° |
| C1 | C2 | H25 | 108.5° | 109.8° |
| C18 | C17 | C16 | 123.3° | 120.0° |
| C17 | C18 | C19 | 119.3° | 120.0° |
| C18 | C17 | H17 | 118.3° | 120.0° |
| C17 | C18 | H18 | 120.4° | 120.0° |
| C17 | C16 | C14 | 117.8° | 120.0° |
| C17 | C16 | H16 | 121.1° | 120.0° |
| C16 | C17 | H17 | 118.3° | 120.0° |
| C18 | C19 | C15 | 116.9° | 120.0° |
| C18 | C19 | H19 | 121.5° | 120.1° |
| C19 | C18 | H18 | 120.4° | 120.0° |
| C16 | C14 | C15 | 116.5° | 119.9° |
| C16 | C14 | C13 | 119.0° | 120.0° |
| C14 | C16 | H16 | 121.1° | 120.0° |
| C19 | C15 | C14 | 125.9° | 120.0° |
| C19 | C15 | CL | 113.5° | 120.0° |
| C15 | C19 | H19 | 121.5° | 119.9° |
| C10 | C20 | O6 | 121.2° | 120.0° |
| C20 | C10 | C9 | 110.4° | 109.9° |
| C20 | C10 | N3 | 114.7° | 109.9° |
| C20 | C10 | H10 | 110.8° | 110.1° |
| C15 | C14 | C13 | 124.1° | 120.0° |
| C14 | C15 | CL | 120.6° | 120.0° |
| C14 | C13 | C12 | 114.3° | 109.5° |
| C14 | C13 | H13 | 108.2° | 109.4° |
| C14 | C13 | H36 | 108.3° | 109.5° |
| O2 | C1 | O1 | 122.9° | 120.0° |
| C1 | O2 | C87 | 110.4° | 117.0° |
| C9 | C10 | N3 | 100.3° | 107.0° |
| C10 | C9 | C24 | 104.8° | 102.7° |
| C9 | C10 | H10 | 109.6° | 110.0° |
| C10 | C9 | H92 | 110.6° | 110.8° |
| C10 | C9 | H91 | 110.6° | 110.7° |
| C10 | N3 | C31 | 123.0° | 127.7° |
| C10 | N3 | C27 | 111.5° | 108.6° |
| N3 | C10 | H10 | 110.5° | 109.9° |
| C13 | C12 | C11 | 111.2° | 109.5° |
| C13 | C12 | N4 | 110.8° | 109.4° |
| C13 | C12 | H12 | 108.9° | 109.4° |
| C12 | C13 | H13 | 108.3° | 109.5° |
| C12 | C13 | H36 | 108.3° | 109.5° |
| O2 | C87 | H87 | 109.5° | 109.4° |
| O2 | C87 | H95 | 109.5° | 109.4° |
| O2 | C87 | H96 | 109.5° | 109.5° |
| C9 | C24 | C27 | 96.5° | 100.9° |
| C9 | C24 | H4B | 112.6° | 111.1° |
| C9 | C24 | H24 | 112.6° | 111.2° |
| C24 | C9 | H92 | 110.6° | 110.8° |
| C24 | C9 | H91 | 110.6° | 110.8° |
| O3 | C31 | N3 | 116.7° | 120.4° |
| O3 | C31 | C35 | 121.9° | 120.5° |
| O4 | C11 | C12 | 122.5° | 120.0° |
| O4 | C11 | N5 | 119.4° | 120.0° |
| C31 | N3 | C27 | 123.9° | 123.7° |
| N3 | C31 | C35 | 121.4° | 119.1° |
| N3 | C27 | C24 | 98.9° | 104.3° |
| N3 | C27 | C28 | 110.5° | 108.9° |
| N3 | C27 | H27 | 110.3° | 111.3° |
| C31 | C35 | N5 | 115.6° | 109.6° |
| C31 | C35 | C34 | 107.8° | 109.2° |
| C31 | C35 | C26 | 112.8° | 111.2° |
| C24 | C27 | C28 | 114.4° | 110.6° |
| C27 | C24 | H4B | 112.6° | 111.1° |
| C27 | C24 | H24 | 112.6° | 111.1° |
| C24 | C27 | H27 | 109.8° | 110.8° |
| C11 | C12 | N4 | 107.1° | 109.5° |
| C12 | C11 | N5 | 117.6° | 120.0° |
| C11 | C12 | H12 | 109.2° | 109.5° |
| C12 | N4 | C32 | 121.9° | 120.0° |
| N4 | C12 | H12 | 109.6° | 109.5° |
| C12 | N4 | H43 | 119.0° | 119.9° |
| C11 | N5 | C35 | 119.0° | 125.6° |
| C11 | N5 | C30 | 125.3° | 125.7° |
| N4 | C32 | O5 | 126.1° | 120.0° |
| N4 | C32 | C33 | 114.8° | 120.0° |
| C32 | N4 | H43 | 119.1° | 120.1° |
| C27 | C28 | C26 | 122.1° | 121.5° |
| C28 | C27 | H27 | 112.2° | 110.8° |
| C27 | C28 | H28 | 118.9° | 119.3° |
| C35 | N5 | C30 | 115.3° | 108.7° |
| N5 | C35 | C34 | 98.8° | 107.3° |
| N5 | C35 | C26 | 105.3° | 110.0° |
| N5 | C30 | C29 | 103.1° | 104.9° |
| N5 | C30 | H30 | 111.0° | 110.4° |
| N5 | C30 | H37 | 111.0° | 110.5° |
| C34 | C35 | C26 | 116.1° | 109.5° |
| C35 | C34 | C29 | 107.8° | 102.9° |
| C35 | C34 | H4A | 109.9° | 110.7° |
| C35 | C34 | H39 | 109.9° | 110.9° |
| C35 | C26 | C28 | 123.0° | 123.4° |
| C35 | C26 | H26 | 118.5° | 118.3° |
| C30 | C29 | C34 | 102.8° | 101.6° |
| C30 | C29 | H38 | 111.2° | 111.0° |
| C30 | C29 | H29 | 111.1° | 111.0° |
| C29 | C30 | H30 | 111.1° | 110.3° |
| C29 | C30 | H37 | 111.0° | 110.4° |
| O5 | C32 | C33 | 118.8° | 120.0° |
| C32 | C33 | H35 | 109.5° | 109.5° |
| C32 | C33 | H33 | 109.4° | 109.5° |
| C32 | C33 | H34 | 109.5° | 109.5° |
| C34 | C29 | H38 | 111.1° | 111.0° |
| C34 | C29 | H29 | 111.1° | 111.0° |
| C29 | C34 | H4A | 109.9° | 110.7° |
| C29 | C34 | H39 | 109.9° | 110.7° |
| C28 | C26 | H26 | 118.5° | 118.3° |
| C26 | C28 | H28 | 119.0° | 119.2° |
| H93 | C22 | H22 | 109.5° | 109.8° |
| H13 | C13 | H36 | 109.4° | 109.5° |
| H94 | C23 | H23 | 109.5° | 110.9° |
| H4B | C24 | H24 | 109.5° | 111.0° |
| H38 | C29 | H29 | 109.4° | 110.9° |
| H31 | C3 | H32 | 109.5° | 110.3° |
| H30 | C30 | H37 | 109.5° | 110.3° |
| H35 | C33 | H33 | 109.5° | 109.5° |
| H35 | C33 | H34 | 109.4° | 109.5° |
| H33 | C33 | H34 | 109.5° | 109.5° |
| H4A | C34 | H39 | 109.5° | 110.7° |
| H41 | C4 | H42 | 109.4° | 110.5° |
| H87 | C87 | H95 | 109.5° | 109.5° |
| H87 | C87 | H96 | 109.4° | 109.5° |
| H95 | C87 | H96 | 109.5° | 109.5° |
| H92 | C9 | H91 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C7 | C8 | H7 | 180.0° | 179.8° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C6 | C7 | C8 | C23 | 134.9° | 156.2° |
| C6 | C7 | C8 | C21 | 24.5° | 39.6° |
| C7 | C6 | C5 | C4 | 157.1° | 117.9° |
| C7 | C6 | C5 | N1 | 39.0° | 0.4° |
| C7 | C6 | C5 | H5 | 79.1° | 124.0° |
| C6 | C7 | C8 | H8 | 97.4° | 81.2° |
| C8 | C7 | C6 | C5 | 1.9° | 2.3° |
| C7 | C8 | C23 | C21 | 116.7° | 123.2° |
| C7 | C8 | C23 | H8 | 128.4° | 122.7° |
| C7 | C8 | C23 | C22 | 170.0° | 158.9° |
| C7 | C8 | C21 | H8 | 123.2° | 121.2° |
| C7 | C8 | C21 | N2 | 157.7° | 162.9° |
| C7 | C8 | C21 | C25 | 79.3° | 65.7° |
| C7 | C8 | C21 | H21 | 38.9° | 50.6° |
| C7 | C8 | C23 | H94 | 71.3° | 40.8° |
| C7 | C8 | C23 | H23 | 51.3° | 82.9° |
| C8 | C7 | C6 | H6 | 178.1° | 177.7° |
| C6 | C5 | C4 | N1 | 124.3° | 125.3° |
| C6 | C5 | C4 | H5 | 124.4° | 117.7° |
| C6 | C5 | N1 | H5 | 118.5° | 123.3° |
| C6 | C5 | C4 | C3 | 83.3° | 157.1° |
| C6 | C5 | N1 | C25 | 59.8° | 32.8° |
| C6 | C5 | N1 | C2 | 112.7° | 150.7° |
| C5 | C6 | C7 | H7 | 178.1° | 177.5° |
| C6 | C5 | C4 | H41 | 158.3° | 38.6° |
| C6 | C5 | C4 | H42 | 35.1° | 84.2° |
| C8 | C23 | C22 | H94 | 118.7° | 118.2° |
| C8 | C23 | C22 | H23 | 118.7° | 118.2° |
| C23 | C8 | C21 | H8 | 115.4° | 114.7° |
| C8 | C23 | C22 | N2 | 48.2° | 21.4° |
| C23 | C8 | C21 | N2 | 36.3° | 38.8° |
| C23 | C8 | C21 | C25 | 159.3° | 170.2° |
| C23 | C8 | C7 | H7 | 45.2° | 24.0° |
| C8 | C23 | C22 | H93 | 69.9° | 98.0° |
| C8 | C23 | C22 | H22 | 166.4° | 140.9° |
| C23 | C8 | C21 | H21 | 82.5° | 73.5° |
| C8 | C23 | H94 | H23 | 123.8° | 123.6° |
| C22 | C23 | C8 | C21 | 53.3° | 35.8° |
| C23 | C22 | N2 | H93 | 118.2° | 119.4° |
| C23 | C22 | N2 | H22 | 118.2° | 119.6° |
| C23 | C22 | N2 | C21 | 25.1° | 2.3° |
| C23 | C22 | N2 | C20 | 154.9° | 177.8° |
| C23 | C22 | H93 | H22 | 125.2° | 121.2° |
| C22 | C23 | H94 | H23 | 123.8° | 123.6° |
| C22 | C23 | C8 | H8 | 61.6° | 78.4° |
| C8 | C21 | N2 | C22 | 7.0° | 25.8° |
| C8 | C21 | N2 | C25 | 113.9° | 129.8° |
| C8 | C21 | N2 | H21 | 117.8° | 112.1° |
| C8 | C21 | C25 | H21 | 117.5° | 116.3° |
| C8 | C21 | C25 | N1 | 80.6° | 37.5° |
| C8 | C21 | N2 | C20 | 173.0° | 154.3° |
| C8 | C21 | C25 | O7 | 99.3° | 142.4° |
| C21 | C8 | C7 | H7 | 155.5° | 140.6° |
| C21 | C8 | C23 | H94 | 172.0° | 82.4° |
| C21 | C8 | C23 | H23 | 65.3° | 153.9° |
| C4 | C5 | N1 | H5 | 110.8° | 116.9° |
| C5 | C4 | C3 | H41 | 118.4° | 118.5° |
| C5 | C4 | C3 | H42 | 118.4° | 118.7° |
| C5 | C4 | C3 | C2 | 50.9° | 20.5° |
| C4 | C5 | N1 | C25 | 169.5° | 152.5° |
| C4 | C5 | N1 | C2 | 18.0° | 30.9° |
| C5 | C4 | C3 | H31 | 169.7° | 139.5° |
| C5 | C4 | C3 | H32 | 68.0° | 98.4° |
| C5 | C4 | H41 | H42 | 124.5° | 122.9° |
| C4 | C5 | C6 | H6 | 22.9° | 62.1° |
| N1 | C5 | C4 | C3 | 41.0° | 31.8° |
| C5 | N1 | C2 | C3 | 12.4° | 17.8° |
| C5 | N1 | C25 | C21 | 0.7° | 20.8° |
| C5 | N1 | C25 | C2 | 170.8° | 176.0° |
| C5 | N1 | C25 | O7 | 179.4° | 159.3° |
| C5 | N1 | C2 | C1 | 112.9° | 101.8° |
| C5 | N1 | C2 | H25 | 125.0° | 137.4° |
| N1 | C5 | C4 | H41 | 77.4° | 86.7° |
| N1 | C5 | C4 | H42 | 159.4° | 150.5° |
| N1 | C5 | C6 | H6 | 141.0° | 179.6° |
| C22 | N2 | C21 | C20 | 180.0° | 179.9° |
| C22 | N2 | C21 | C25 | 120.9° | 155.6° |
| C22 | N2 | C20 | C10 | 1.3° | 7.4° |
| C22 | N2 | C20 | O6 | 178.1° | 172.7° |
| N2 | C22 | H93 | H22 | 125.1° | 121.1° |
| C22 | N2 | C21 | H21 | 110.7° | 86.3° |
| N2 | C22 | C23 | H94 | 166.9° | 96.8° |
| N2 | C22 | C23 | H23 | 70.4° | 139.6° |
| C4 | C3 | C2 | H31 | 118.9° | 119.0° |
| C4 | C3 | C2 | H32 | 118.9° | 118.9° |
| C4 | C3 | C2 | N1 | 39.1° | 2.6° |
| C4 | C3 | C2 | C1 | 87.5° | 122.3° |
| C4 | C3 | C2 | H25 | 151.9° | 117.0° |
| C4 | C3 | H31 | H32 | 123.2° | 122.2° |
| C3 | C4 | H41 | H42 | 124.5° | 122.8° |
| C3 | C4 | C5 | H5 | 152.3° | 85.2° |
| C3 | C2 | N1 | C25 | 158.9° | 165.4° |
| C3 | C2 | N1 | C1 | 125.2° | 119.7° |
| C3 | C2 | N1 | H25 | 112.6° | 119.6° |
| C3 | C2 | C1 | H25 | 120.1° | 120.7° |
| C3 | C2 | C1 | O2 | 91.6° | 61.5° |
| C3 | C2 | C1 | O1 | 98.1° | 118.5° |
| C2 | C3 | H31 | H32 | 123.3° | 122.1° |
| C2 | C3 | C4 | H41 | 67.6° | 98.0° |
| C2 | C3 | C4 | H42 | 169.3° | 139.3° |
| N2 | C21 | C25 | H21 | 128.5° | 118.2° |
| N2 | C21 | C25 | N1 | 165.5° | 163.0° |
| N2 | C21 | C25 | O7 | 14.6° | 16.9° |
| C21 | N2 | C20 | C10 | 178.7° | 172.7° |
| C21 | N2 | C20 | O6 | 1.9° | 7.2° |
| C21 | N2 | C22 | H93 | 93.1° | 121.7° |
| C21 | N2 | C22 | H22 | 143.2° | 117.3° |
| N2 | C21 | C8 | H8 | 79.1° | 75.9° |
| C21 | C25 | N1 | O7 | 179.9° | 179.9° |
| C21 | C25 | N1 | C2 | 170.0° | 163.2° |
| C25 | C21 | N2 | C20 | 59.1° | 24.5° |
| C25 | C21 | C8 | H8 | 43.9° | 55.5° |
| C25 | N1 | C2 | C1 | 75.9° | 75.0° |
| C25 | N1 | C2 | H25 | 46.3° | 45.8° |
| N1 | C25 | C21 | H21 | 37.0° | 78.8° |
| C25 | N1 | C5 | H5 | 58.7° | 90.5° |
| C2 | N1 | C25 | O7 | 9.9° | 16.7° |
| N1 | C2 | C1 | H25 | 121.7° | 120.7° |
| N1 | C2 | C1 | O2 | 150.2° | 180.0° |
| N1 | C2 | C1 | O1 | 20.1° | 0.0° |
| N1 | C2 | C3 | H31 | 157.9° | 121.6° |
| N1 | C2 | C3 | H32 | 79.8° | 116.3° |
| C2 | N1 | C5 | H5 | 128.8° | 86.0° |
| N2 | C20 | C10 | O6 | 179.4° | 179.9° |
| N2 | C20 | C10 | C9 | 81.2° | 61.4° |
| N2 | C20 | C10 | N3 | 166.4° | 179.0° |
| C20 | N2 | C22 | H93 | 86.9° | 58.4° |
| C20 | N2 | C22 | H22 | 36.7° | 62.6° |
| N2 | C20 | C10 | H10 | 40.4° | 59.8° |
| C20 | N2 | C21 | H21 | 69.2° | 93.6° |
| O7 | C25 | C21 | H21 | 143.1° | 101.3° |
| C2 | C1 | O2 | O1 | 170.4° | 180.0° |
| C2 | C1 | O2 | C87 | 120.0° | 180.0° |
| C1 | C2 | C3 | H31 | 31.3° | 118.8° |
| C1 | C2 | C3 | H32 | 153.6° | 3.3° |
| C18 | C17 | C16 | H17 | 180.0° | 179.6° |
| C17 | C18 | C19 | H18 | 180.0° | 179.6° |
| C18 | C17 | C16 | C14 | 6.5° | 0.1° |
| C17 | C18 | C19 | C15 | 1.5° | 0.6° |
| C18 | C17 | C16 | H16 | 173.5° | 179.8° |
| C17 | C18 | C19 | H19 | 178.5° | 179.8° |
| C16 | C17 | C18 | C19 | 4.0° | 0.4° |
| C17 | C16 | C14 | H16 | 180.0° | 179.7° |
| C17 | C16 | C14 | C15 | 6.3° | 0.3° |
| C17 | C16 | C14 | C13 | 179.2° | 179.7° |
| C16 | C17 | C18 | H18 | 175.9° | 180.0° |
| C18 | C19 | C15 | H19 | 180.0° | 179.6° |
| C18 | C19 | C15 | C14 | 1.9° | 0.4° |
| C18 | C19 | C15 | CL | 179.9° | 179.5° |
| C19 | C18 | C17 | H17 | 176.0° | 180.0° |
| C16 | C14 | C15 | C19 | 4.4° | 0.0° |
| C16 | C14 | C15 | C13 | 172.5° | 180.0° |
| C16 | C14 | C15 | CL | 177.8° | 180.0° |
| C16 | C14 | C13 | C12 | 110.1° | 100.0° |
| C16 | C14 | C13 | H13 | 129.2° | 20.0° |
| C16 | C14 | C13 | H36 | 10.6° | 140.0° |
| C14 | C16 | C17 | H17 | 173.5° | 179.5° |
| C19 | C15 | C14 | CL | 177.8° | 180.0° |
| C19 | C15 | C14 | C13 | 176.8° | 180.0° |
| C15 | C19 | C18 | H18 | 178.4° | 179.7° |
| C20 | C10 | C9 | N3 | 121.4° | 119.3° |
| C20 | C10 | C9 | H10 | 122.3° | 121.3° |
| C20 | C10 | N3 | H10 | 126.2° | 121.3° |
| C20 | C10 | C9 | C24 | 153.5° | 141.5° |
| C20 | C10 | N3 | C31 | 75.9° | 64.1° |
| C20 | C10 | N3 | C27 | 118.0° | 116.8° |
| C20 | C10 | C9 | H92 | 34.2° | 23.3° |
| C20 | C10 | C9 | H91 | 87.3° | 100.2° |
| O6 | C20 | C10 | C9 | 99.4° | 118.5° |
| O6 | C20 | C10 | N3 | 13.0° | 1.0° |
| O6 | C20 | C10 | H10 | 139.0° | 120.2° |
| C15 | C14 | C13 | C12 | 77.6° | 80.0° |
| C15 | C14 | C16 | H16 | 173.7° | 180.0° |
| C14 | C15 | C19 | H19 | 178.1° | 180.0° |
| C15 | C14 | C13 | H13 | 43.1° | 160.0° |
| C15 | C14 | C13 | H36 | 161.7° | 40.1° |
| C13 | C14 | C15 | CL | 5.3° | 0.0° |
| C14 | C13 | C12 | H13 | 120.7° | 120.0° |
| C14 | C13 | C12 | H36 | 120.7° | 120.0° |
| C14 | C13 | C12 | C11 | 177.3° | 175.0° |
| C14 | C13 | C12 | N4 | 58.2° | 65.0° |
| C13 | C14 | C16 | H16 | 0.8° | 0.0° |
| C14 | C13 | C12 | H12 | 62.4° | 55.0° |
| C14 | C13 | H13 | H36 | 117.8° | 120.0° |
| O2 | C1 | C2 | H25 | 28.5° | 59.3° |
| C1 | O2 | C87 | H87 | 180.0° | 180.0° |
| C1 | O2 | C87 | H95 | 60.0° | 60.0° |
| C1 | O2 | C87 | H96 | 60.0° | 60.0° |
| O1 | C1 | O2 | C87 | 69.6° | 0.0° |
| O1 | C1 | C2 | H25 | 141.9° | 120.7° |
| CL | C15 | C19 | H19 | 0.1° | 0.1° |
| C9 | C10 | N3 | H10 | 115.6° | 119.4° |
| C10 | C9 | C24 | H92 | 119.3° | 118.3° |
| C10 | C9 | C24 | H91 | 119.3° | 118.3° |
| C9 | C10 | N3 | C31 | 165.8° | 176.6° |
| C9 | C10 | N3 | C27 | 0.2° | 2.5° |
| C10 | C9 | C24 | C27 | 50.7° | 36.9° |
| C10 | C9 | C24 | H4B | 168.6° | 81.0° |
| C10 | C9 | C24 | H24 | 67.1° | 154.8° |
| C10 | C9 | H92 | H91 | 122.2° | 123.3° |
| N3 | C10 | C9 | C24 | 32.1° | 22.2° |
| C10 | N3 | C31 | O3 | 11.2° | 12.5° |
| C10 | N3 | C31 | C27 | 164.3° | 178.9° |
| C10 | N3 | C31 | C35 | 172.2° | 167.5° |
| C10 | N3 | C27 | C24 | 31.0° | 26.6° |
| C10 | N3 | C27 | C28 | 151.4° | 144.6° |
| C10 | N3 | C27 | H27 | 84.0° | 93.0° |
| N3 | C10 | C9 | H92 | 87.1° | 96.1° |
| N3 | C10 | C9 | H91 | 151.4° | 140.5° |
| C13 | C12 | C11 | O4 | 48.4° | 100.0° |
| C13 | C12 | C11 | N4 | 121.2° | 120.0° |
| C13 | C12 | C11 | H12 | 120.2° | 119.9° |
| C13 | C12 | N4 | H12 | 120.2° | 120.0° |
| C13 | C12 | C11 | N5 | 122.7° | 80.0° |
| C13 | C12 | N4 | C32 | 105.2° | 60.0° |
| C12 | C13 | H13 | H36 | 117.8° | 120.0° |
| C13 | C12 | N4 | H43 | 74.8° | 120.0° |
| O2 | C87 | H87 | H95 | 120.0° | 120.0° |
| O2 | C87 | H87 | H96 | 120.0° | 120.0° |
| O2 | C87 | H95 | H96 | 120.0° | 120.0° |
| C9 | C24 | C27 | N3 | 47.4° | 39.3° |
| C9 | C24 | C27 | H4B | 117.8° | 117.9° |
| C9 | C24 | C27 | H24 | 117.9° | 118.0° |
| C9 | C24 | C27 | C28 | 164.8° | 156.2° |
| C24 | C9 | C10 | H10 | 84.2° | 97.2° |
| C9 | C24 | H4B | H24 | 126.1° | 124.3° |
| C9 | C24 | C27 | H27 | 68.0° | 80.6° |
| C24 | C9 | H92 | H91 | 122.1° | 123.4° |
| O3 | C31 | N3 | C35 | 176.7° | 180.0° |
| O3 | C31 | N3 | C27 | 175.5° | 168.6° |
| O3 | C31 | C35 | N5 | 39.0° | 39.9° |
| O3 | C31 | C35 | C34 | 70.4° | 77.4° |
| O3 | C31 | C35 | C26 | 160.1° | 161.7° |
| O4 | C11 | C12 | N5 | 171.1° | 180.0° |
| O4 | C11 | C12 | N4 | 72.8° | 20.0° |
| O4 | C11 | N5 | C35 | 3.8° | 0.1° |
| O4 | C11 | N5 | C30 | 169.1° | 180.0° |
| O4 | C11 | C12 | H12 | 168.6° | 140.1° |
| C31 | N3 | C27 | C24 | 134.8° | 152.5° |
| C31 | N3 | C27 | C28 | 14.5° | 34.4° |
| N3 | C31 | C35 | N5 | 144.6° | 140.1° |
| N3 | C31 | C35 | C34 | 106.1° | 102.6° |
| N3 | C31 | C35 | C26 | 23.4° | 18.3° |
| C31 | N3 | C10 | H10 | 50.2° | 57.1° |
| C31 | N3 | C27 | H27 | 110.2° | 87.9° |
| C27 | N3 | C31 | C35 | 7.9° | 11.4° |
| N3 | C27 | C24 | C28 | 117.4° | 116.9° |
| N3 | C27 | C24 | H27 | 115.4° | 119.9° |
| N3 | C27 | C28 | H27 | 123.6° | 122.7° |
| N3 | C27 | C28 | C26 | 20.2° | 28.3° |
| C27 | N3 | C10 | H10 | 115.8° | 121.9° |
| N3 | C27 | C24 | H4B | 165.2° | 78.7° |
| N3 | C27 | C24 | H24 | 70.4° | 157.2° |
| N3 | C27 | C28 | H28 | 159.8° | 151.8° |
| C31 | C35 | N5 | C11 | 57.7° | 60.6° |
| C31 | C35 | N5 | C34 | 114.6° | 118.5° |
| C31 | C35 | N5 | C26 | 125.1° | 122.5° |
| C31 | C35 | N5 | C30 | 115.9° | 119.5° |
| C31 | C35 | C34 | C26 | 127.6° | 122.0° |
| C31 | C35 | C34 | C29 | 143.7° | 96.6° |
| C31 | C35 | C26 | C28 | 17.7° | 24.4° |
| C31 | C35 | C26 | H26 | 162.3° | 155.6° |
| C31 | C35 | C34 | H4A | 24.0° | 145.1° |
| C31 | C35 | C34 | H39 | 96.5° | 21.9° |
| C24 | C27 | C28 | H27 | 125.9° | 123.2° |
| C24 | C27 | C28 | C26 | 130.7° | 142.3° |
| C27 | C24 | H4B | H24 | 126.1° | 124.1° |
| C24 | C27 | C28 | H28 | 49.3° | 37.7° |
| C27 | C24 | C9 | H92 | 68.5° | 81.4° |
| C27 | C24 | C9 | H91 | 170.0° | 155.2° |
| C11 | C12 | N4 | H12 | 118.3° | 120.1° |
| C11 | C12 | N4 | C32 | 133.3° | 59.9° |
| C12 | C11 | N5 | C35 | 175.3° | 180.0° |
| C12 | C11 | N5 | C30 | 2.3° | 0.1° |
| C11 | C12 | C13 | H13 | 62.0° | 65.0° |
| C11 | C12 | C13 | H36 | 56.6° | 55.0° |
| C11 | C12 | N4 | H43 | 46.8° | 120.0° |
| N4 | C12 | C11 | N5 | 116.1° | 160.1° |
| C12 | N4 | C32 | H43 | 180.0° | 180.0° |
| C12 | N4 | C32 | O5 | 10.4° | 0.1° |
| C12 | N4 | C32 | C33 | 176.1° | 180.0° |
| N4 | C12 | C13 | H13 | 178.9° | 55.0° |
| N4 | C12 | C13 | H36 | 62.5° | 175.0° |
| C11 | N5 | C35 | C30 | 173.6° | 179.9° |
| C11 | N5 | C35 | C34 | 172.3° | 179.0° |
| C11 | N5 | C35 | C26 | 67.4° | 61.9° |
| C11 | N5 | C30 | C29 | 167.9° | 156.0° |
| N5 | C11 | C12 | H12 | 2.6° | 40.0° |
| C11 | N5 | C30 | H30 | 48.9° | 37.1° |
| C11 | N5 | C30 | H37 | 73.1° | 85.1° |
| N4 | C32 | O5 | C33 | 173.2° | 179.9° |
| C32 | N4 | C12 | H12 | 14.9° | 180.0° |
| N4 | C32 | C33 | H35 | 173.9° | 90.0° |
| N4 | C32 | C33 | H33 | 66.1° | 30.0° |
| N4 | C32 | C33 | H34 | 53.9° | 150.0° |
| C27 | C28 | C26 | C35 | 5.0° | 0.0° |
| C27 | C28 | C26 | H28 | 180.0° | 179.9° |
| C28 | C27 | C24 | H4B | 77.4° | 38.3° |
| C28 | C27 | C24 | H24 | 47.0° | 85.8° |
| C27 | C28 | C26 | H26 | 175.0° | 180.0° |
| N5 | C35 | C34 | C26 | 111.9° | 119.3° |
| C35 | N5 | C30 | C29 | 18.9° | 24.1° |
| N5 | C35 | C34 | C29 | 23.1° | 22.1° |
| N5 | C35 | C26 | C28 | 144.6° | 145.9° |
| N5 | C35 | C26 | H26 | 35.4° | 34.1° |
| C35 | N5 | C30 | H30 | 137.9° | 143.0° |
| C35 | N5 | C30 | H37 | 100.0° | 94.8° |
| N5 | C35 | C34 | H4A | 96.6° | 96.2° |
| N5 | C35 | C34 | H39 | 142.9° | 140.6° |
| C30 | N5 | C35 | C34 | 1.3° | 1.1° |
| C30 | N5 | C35 | C26 | 119.0° | 118.0° |
| N5 | C30 | C29 | H30 | 119.0° | 118.8° |
| N5 | C30 | C29 | H37 | 119.0° | 119.0° |
| N5 | C30 | C29 | C34 | 32.4° | 37.0° |
| N5 | C30 | C29 | H38 | 86.5° | 155.0° |
| N5 | C30 | C29 | H29 | 151.3° | 81.1° |
| N5 | C30 | H30 | H37 | 122.9° | 122.4° |
| C35 | C34 | C29 | C30 | 34.5° | 35.4° |
| C35 | C34 | C29 | H4A | 119.7° | 118.4° |
| C35 | C34 | C29 | H39 | 119.7° | 118.5° |
| C34 | C35 | C26 | C28 | 107.4° | 96.4° |
| C34 | C35 | C26 | H26 | 72.6° | 83.6° |
| C35 | C34 | C29 | H38 | 84.4° | 153.5° |
| C35 | C34 | C29 | H29 | 153.5° | 82.6° |
| C35 | C34 | H4A | H39 | 120.7° | 123.4° |
| C26 | C35 | C34 | C29 | 88.7° | 141.5° |
| C35 | C26 | C28 | H26 | 180.0° | 180.0° |
| C35 | C26 | C28 | H28 | 175.0° | 179.9° |
| C26 | C35 | C34 | H4A | 151.5° | 23.1° |
| C26 | C35 | C34 | H39 | 31.0° | 100.1° |
| C30 | C29 | C34 | H38 | 119.0° | 118.1° |
| C30 | C29 | C34 | H29 | 118.9° | 118.1° |
| C30 | C29 | H38 | H29 | 123.1° | 123.9° |
| C29 | C30 | H30 | H37 | 123.0° | 122.2° |
| C30 | C29 | C34 | H4A | 85.2° | 82.9° |
| C30 | C29 | C34 | H39 | 154.3° | 154.0° |
| O5 | C32 | C33 | H35 | 0.0° | 90.0° |
| O5 | C32 | C33 | H33 | 120.0° | 150.0° |
| O5 | C32 | C33 | H34 | 120.0° | 30.0° |
| O5 | C32 | N4 | H43 | 169.6° | 179.9° |
| C32 | C33 | H35 | H33 | 120.0° | 120.0° |
| C32 | C33 | H35 | H34 | 120.0° | 120.0° |
| C32 | C33 | H33 | H34 | 120.0° | 120.0° |
| C33 | C32 | N4 | H43 | 3.9° | 0.0° |
| C34 | C29 | H38 | H29 | 123.1° | 123.9° |
| C34 | C29 | C30 | H30 | 151.4° | 155.8° |
| C34 | C29 | C30 | H37 | 86.6° | 82.0° |
| C29 | C34 | H4A | H39 | 120.8° | 123.1° |
| C26 | C28 | C27 | H27 | 103.4° | 94.4° |
| H7 | C7 | C6 | H6 | 1.9° | 2.5° |
| H7 | C7 | C8 | H8 | 82.6° | 98.6° |
| H16 | C16 | C17 | H17 | 6.5° | 0.2° |
| H19 | C19 | C18 | H18 | 1.5° | 0.1° |
| H93 | C22 | C23 | H94 | 48.8° | 143.8° |
| H93 | C22 | C23 | H23 | 171.4° | 20.2° |
| H22 | C22 | C23 | H94 | 74.9° | 22.8° |
| H22 | C22 | C23 | H23 | 47.7° | 100.9° |
| H10 | C10 | C9 | H92 | 156.6° | 144.6° |
| H10 | C10 | C9 | H91 | 35.1° | 21.1° |
| H12 | C12 | C13 | H13 | 58.4° | 175.0° |
| H12 | C12 | C13 | H36 | 176.9° | 65.0° |
| H12 | C12 | N4 | H43 | 165.1° | 0.0° |
| H17 | C17 | C18 | H18 | 4.1° | 0.4° |
| H25 | C2 | C3 | H31 | 89.3° | 2.0° |
| H25 | C2 | C3 | H32 | 33.0° | 124.1° |
| H21 | C21 | C8 | H8 | 162.2° | 171.8° |
| H94 | C23 | C8 | H8 | 57.1° | 163.4° |
| H23 | C23 | C8 | H8 | 179.8° | 39.8° |
| H4B | C24 | C27 | H27 | 49.8° | 161.5° |
| H4B | C24 | C9 | H92 | 49.3° | 160.7° |
| H4B | C24 | C9 | H91 | 72.2° | 37.3° |
| H24 | C24 | C27 | H27 | 174.2° | 37.4° |
| H24 | C24 | C9 | H92 | 173.6° | 36.5° |
| H24 | C24 | C9 | H91 | 52.2° | 86.9° |
| H26 | C26 | C28 | H28 | 5.0° | 0.1° |
| H27 | C27 | C28 | H28 | 76.6° | 85.5° |
| H38 | C29 | C30 | H30 | 32.5° | 86.1° |
| H38 | C29 | C30 | H37 | 154.5° | 36.0° |
| H38 | C29 | C34 | H4A | 155.9° | 35.2° |
| H38 | C29 | C34 | H39 | 35.3° | 88.0° |
| H29 | C29 | C30 | H30 | 89.7° | 37.7° |
| H29 | C29 | C30 | H37 | 32.4° | 159.9° |
| H29 | C29 | C34 | H4A | 33.7° | 159.0° |
| H29 | C29 | C34 | H39 | 86.8° | 35.9° |
| H31 | C3 | C4 | H41 | 51.3° | 20.9° |
| H31 | C3 | C4 | H42 | 71.8° | 101.8° |
| H32 | C3 | C4 | H41 | 173.5° | 143.1° |
| H32 | C3 | C4 | H42 | 50.4° | 20.3° |
| H35 | C33 | H33 | H34 | 120.0° | 120.0° |
| H41 | C4 | C5 | H5 | 33.9° | 156.3° |
| H42 | C4 | C5 | H5 | 89.2° | 33.5° |
| H5 | C5 | C6 | H6 | 100.9° | 56.0° |
| H87 | C87 | H95 | H96 | 120.0° | 120.1° |
