G37
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C20 | sing | 1.53Å | 1.52Å | |
| C1 | C42 | sing | 1.51Å | 1.51Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C2 | C20 | sing | 1.53Å | 1.54Å | |
| C2 | C41 | sing | 1.53Å | 1.53Å | |
| C2 | N1 | sing | 1.46Å | 1.48Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | N1 | sing | 1.35Å | 1.33Å | |
| C3 | O1 | doub | 1.21Å | 1.21Å | |
| C4 | C6 | sing | 1.54Å | 1.54Å | |
| C4 | N2 | sing | 1.47Å | 1.44Å | |
| C4 | H4 | sing | 1.09Å | 1.11Å | |
| C5 | C9 | sing | 1.53Å | 1.52Å | |
| C5 | N2 | sing | 1.49Å | 1.44Å | |
| C5 | S1 | sing | 1.85Å | 1.81Å | |
| C5 | H5 | sing | 1.09Å | 1.12Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | C8 | sing | 1.53Å | 1.53Å | |
| C6 | S1 | sing | 1.84Å | 1.81Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C7 | H73 | sing | 1.09Å | 1.12Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C8 | H83 | sing | 1.09Å | 1.12Å | |
| C9 | C18 | sing | 1.51Å | 1.56Å | |
| C9 | N3 | sing | 1.46Å | 1.49Å | |
| C9 | H9 | sing | 1.09Å | 1.11Å | |
| C10 | C11 | sing | 1.51Å | 1.54Å | |
| C10 | N3 | sing | 1.35Å | 1.32Å | |
| C10 | O2 | doub | 1.21Å | 1.23Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | C17 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | N4 | sing | 1.35Å | 1.32Å | |
| C18 | O3 | doub | 1.21Å | 1.22Å | |
| C19 | C23 | sing | 1.51Å | 1.51Å | |
| C19 | N4 | sing | 1.46Å | 1.49Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.09Å | 1.11Å | |
| C20 | O4 | sing | 1.43Å | 1.39Å | |
| C20 | H20 | sing | 1.09Å | 1.12Å | |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C32 | sing | 1.39Å | 1.39Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | sing | 1.39Å | 1.37Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C29 | C30 | doub | 1.41Å | 1.48Å | Aromatic |
| C29 | N5 | sing | 1.38Å | 1.36Å | Aromatic |
| C30 | C31 | sing | 1.40Å | 1.37Å | Aromatic |
| C30 | N6 | sing | 1.36Å | 1.37Å | Aromatic |
| C31 | C32 | doub | 1.37Å | 1.38Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.10Å | |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C33 | C34 | sing | 1.51Å | 1.50Å | |
| C33 | N5 | sing | 1.36Å | 1.34Å | Aromatic |
| C33 | N6 | doub | 1.30Å | 1.34Å | Aromatic |
| C34 | N7 | sing | 1.46Å | 1.46Å | |
| C34 | H341 | sing | 1.09Å | 1.12Å | |
| C34 | H342 | sing | 1.09Å | 1.12Å | |
| C35 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C35 | C40 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| C36 | C37 | sing | 1.38Å | 1.38Å | Aromatic |
| C36 | C41 | sing | 1.51Å | 1.52Å | |
| C37 | C38 | doub | 1.38Å | 1.37Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.10Å | |
| C38 | C39 | sing | 1.38Å | 1.36Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.10Å | |
| C39 | C40 | doub | 1.38Å | 1.37Å | Aromatic |
| C39 | H39 | sing | 1.08Å | 1.10Å | |
| C40 | H40 | sing | 1.08Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.11Å | |
| C41 | H412 | sing | 1.09Å | 1.12Å | |
| C42 | N7 | sing | 1.35Å | 1.32Å | |
| C42 | O5 | doub | 1.21Å | 1.22Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| N2 | HN2 | sing | 1.01Å | 1.02Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| N4 | HN4 | sing | 0.97Å | 1.02Å | |
| N5 | HN5 | sing | 0.97Å | 1.02Å | |
| N7 | HN7 | sing | 0.97Å | 1.02Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C1 | C42 | 106.9° | 109.5° |
| C20 | C1 | H11 | 113.1° | 109.5° |
| C20 | C1 | H12 | 113.2° | 109.5° |
| C1 | C20 | C2 | 113.3° | 109.5° |
| C1 | C20 | O4 | 113.4° | 109.5° |
| C1 | C20 | H20 | 103.2° | 109.5° |
| C42 | C1 | H11 | 113.2° | 109.4° |
| C42 | C1 | H12 | 113.1° | 109.4° |
| C1 | C42 | N7 | 114.2° | 120.0° |
| C1 | C42 | O5 | 121.2° | 120.0° |
| H11 | C1 | H12 | 97.4° | 109.4° |
| C20 | C2 | C41 | 111.1° | 109.5° |
| C20 | C2 | N1 | 112.8° | 109.5° |
| C20 | C2 | H2 | 107.4° | 109.4° |
| C2 | C20 | O4 | 107.0° | 109.5° |
| C2 | C20 | H20 | 110.0° | 109.5° |
| C41 | C2 | N1 | 113.2° | 109.5° |
| C41 | C2 | H2 | 106.8° | 109.5° |
| C2 | C41 | C36 | 112.6° | 109.5° |
| C2 | C41 | H411 | 111.1° | 109.5° |
| C2 | C41 | H412 | 111.1° | 109.4° |
| N1 | C2 | H2 | 105.0° | 109.4° |
| C2 | N1 | C3 | 120.5° | 120.1° |
| C2 | N1 | HN1 | 125.1° | 120.0° |
| C4 | C3 | N1 | 113.9° | 120.0° |
| C4 | C3 | O1 | 123.9° | 120.0° |
| C3 | C4 | C6 | 116.1° | 108.5° |
| C3 | C4 | N2 | 113.4° | 108.6° |
| C3 | C4 | H4 | 101.2° | 108.5° |
| N1 | C3 | O1 | 122.2° | 119.9° |
| C3 | N1 | HN1 | 114.4° | 120.0° |
| C6 | C4 | N2 | 108.2° | 113.8° |
| C6 | C4 | H4 | 107.2° | 108.7° |
| C4 | C6 | C7 | 115.6° | 111.0° |
| C4 | C6 | C8 | 111.9° | 111.0° |
| C4 | C6 | S1 | 105.0° | 101.8° |
| N2 | C4 | H4 | 110.3° | 108.6° |
| C4 | N2 | C5 | 113.4° | 112.4° |
| C4 | N2 | HN2 | 110.7° | 106.7° |
| C9 | C5 | N2 | 113.9° | 111.4° |
| C9 | C5 | S1 | 107.5° | 111.4° |
| C9 | C5 | H5 | 107.3° | 111.2° |
| C5 | C9 | C18 | 110.4° | 109.5° |
| C5 | C9 | N3 | 110.6° | 109.5° |
| C5 | C9 | H9 | 110.3° | 109.4° |
| N2 | C5 | S1 | 107.7° | 99.5° |
| N2 | C5 | H5 | 107.0° | 111.4° |
| C5 | N2 | HN2 | 110.8° | 106.7° |
| S1 | C5 | H5 | 113.5° | 111.4° |
| C5 | S1 | C6 | 94.0° | 97.2° |
| C7 | C6 | C8 | 113.7° | 110.8° |
| C7 | C6 | S1 | 103.7° | 111.0° |
| C6 | C7 | H71 | 115.6° | 109.5° |
| C6 | C7 | H72 | 110.0° | 109.5° |
| C6 | C7 | H73 | 110.0° | 109.4° |
| C8 | C6 | S1 | 105.7° | 111.0° |
| C6 | C8 | H81 | 111.8° | 109.5° |
| C6 | C8 | H82 | 111.3° | 109.5° |
| C6 | C8 | H83 | 111.3° | 109.5° |
| H71 | C7 | H72 | 110.0° | 109.4° |
| H71 | C7 | H73 | 110.0° | 109.5° |
| H72 | C7 | H73 | 100.2° | 109.5° |
| H81 | C8 | H82 | 111.4° | 109.5° |
| H81 | C8 | H83 | 111.4° | 109.5° |
| H82 | C8 | H83 | 99.0° | 109.4° |
| C18 | C9 | N3 | 115.3° | 109.5° |
| C18 | C9 | H9 | 105.0° | 109.5° |
| C9 | C18 | N4 | 121.5° | 120.0° |
| C9 | C18 | O3 | 122.8° | 120.0° |
| N3 | C9 | H9 | 104.8° | 109.5° |
| C9 | N3 | C10 | 123.5° | 120.0° |
| C9 | N3 | HN3 | 124.6° | 119.9° |
| C11 | C10 | N3 | 111.4° | 120.0° |
| C11 | C10 | O2 | 124.7° | 120.0° |
| C10 | C11 | C12 | 110.8° | 109.5° |
| C10 | C11 | H111 | 111.7° | 109.5° |
| C10 | C11 | H112 | 111.7° | 109.5° |
| N3 | C10 | O2 | 123.9° | 120.0° |
| C10 | N3 | HN3 | 111.9° | 120.1° |
| C12 | C11 | H111 | 111.7° | 109.5° |
| C12 | C11 | H112 | 111.7° | 109.4° |
| C11 | C12 | C13 | 121.8° | 120.0° |
| C11 | C12 | C17 | 118.8° | 120.0° |
| H111 | C11 | H112 | 98.6° | 109.5° |
| C13 | C12 | C17 | 119.2° | 120.0° |
| C12 | C13 | C14 | 119.3° | 120.0° |
| C12 | C13 | H13 | 120.9° | 120.0° |
| C12 | C17 | C16 | 120.7° | 120.0° |
| C12 | C17 | H17 | 120.3° | 120.0° |
| C14 | C13 | H13 | 119.8° | 120.0° |
| C13 | C14 | C15 | 120.6° | 120.0° |
| C13 | C14 | H14 | 119.8° | 120.0° |
| C15 | C14 | H14 | 119.5° | 120.0° |
| C14 | C15 | C16 | 120.2° | 120.0° |
| C14 | C15 | H15 | 120.0° | 120.0° |
| C16 | C15 | H15 | 119.7° | 120.0° |
| C15 | C16 | C17 | 119.9° | 120.0° |
| C15 | C16 | H16 | 120.1° | 120.0° |
| C17 | C16 | H16 | 120.0° | 120.0° |
| C16 | C17 | H17 | 119.0° | 120.0° |
| N4 | C18 | O3 | 115.6° | 120.0° |
| C18 | N4 | C19 | 137.3° | 120.0° |
| C18 | N4 | HN4 | 102.9° | 119.9° |
| C23 | C19 | N4 | 114.2° | 109.5° |
| C23 | C19 | H191 | 110.5° | 109.5° |
| C23 | C19 | H192 | 110.4° | 109.4° |
| C19 | C23 | C22 | 118.8° | 120.0° |
| C19 | C23 | C24 | 121.3° | 120.0° |
| N4 | C19 | H191 | 110.5° | 109.5° |
| N4 | C19 | H192 | 110.5° | 109.5° |
| C19 | N4 | HN4 | 119.8° | 120.0° |
| H191 | C19 | H192 | 99.8° | 109.5° |
| O4 | C20 | H20 | 109.9° | 109.4° |
| C20 | O4 | HO4 | 113.4° | 106.7° |
| C22 | C21 | C26 | 119.1° | 120.0° |
| C22 | C21 | H21 | 120.6° | 120.0° |
| C21 | C22 | C23 | 120.7° | 120.0° |
| C21 | C22 | H22 | 119.6° | 120.0° |
| C26 | C21 | H21 | 120.3° | 120.0° |
| C21 | C26 | C25 | 120.5° | 120.0° |
| C21 | C26 | H26 | 119.3° | 120.0° |
| C23 | C22 | H22 | 119.7° | 120.0° |
| C22 | C23 | C24 | 119.9° | 120.0° |
| C23 | C24 | C25 | 120.0° | 120.0° |
| C23 | C24 | H24 | 120.1° | 120.0° |
| C25 | C24 | H24 | 119.9° | 120.0° |
| C24 | C25 | C26 | 119.8° | 120.0° |
| C24 | C25 | H25 | 119.6° | 120.0° |
| C26 | C25 | H25 | 120.5° | 120.0° |
| C25 | C26 | H26 | 120.2° | 120.0° |
| C28 | C27 | C32 | 122.2° | 120.4° |
| C28 | C27 | H27 | 118.3° | 119.8° |
| C27 | C28 | C29 | 117.1° | 119.7° |
| C27 | C28 | H28 | 121.5° | 120.1° |
| C32 | C27 | H27 | 119.6° | 119.8° |
| C27 | C32 | C31 | 122.7° | 120.7° |
| C27 | C32 | H32 | 119.3° | 119.7° |
| C29 | C28 | H28 | 121.3° | 120.2° |
| C28 | C29 | C30 | 120.6° | 119.8° |
| C28 | C29 | N5 | 133.1° | 134.1° |
| C30 | C29 | N5 | 106.4° | 106.1° |
| C29 | C30 | C31 | 120.4° | 119.5° |
| C29 | C30 | N6 | 107.2° | 106.9° |
| C29 | N5 | C33 | 105.9° | 107.3° |
| C29 | N5 | HN5 | 127.8° | 126.4° |
| C31 | C30 | N6 | 132.5° | 133.6° |
| C30 | C31 | C32 | 117.1° | 119.9° |
| C30 | C31 | H31 | 121.3° | 120.1° |
| C30 | N6 | C33 | 105.1° | 109.7° |
| C32 | C31 | H31 | 121.6° | 120.0° |
| C31 | C32 | H32 | 118.0° | 119.6° |
| C34 | C33 | N5 | 121.5° | 125.0° |
| C34 | C33 | N6 | 122.9° | 125.0° |
| C33 | C34 | N7 | 107.9° | 109.4° |
| C33 | C34 | H341 | 112.8° | 109.5° |
| C33 | C34 | H342 | 112.8° | 109.4° |
| N5 | C33 | N6 | 115.4° | 110.1° |
| C33 | N5 | HN5 | 126.3° | 126.3° |
| N7 | C34 | H341 | 112.8° | 109.5° |
| N7 | C34 | H342 | 112.8° | 109.5° |
| C34 | N7 | C42 | 122.5° | 120.0° |
| C34 | N7 | HN7 | 123.8° | 120.1° |
| H341 | C34 | H342 | 97.6° | 109.5° |
| C36 | C35 | C40 | 120.6° | 120.0° |
| C36 | C35 | H35 | 120.0° | 120.0° |
| C35 | C36 | C37 | 118.0° | 120.0° |
| C35 | C36 | C41 | 122.9° | 120.0° |
| C40 | C35 | H35 | 119.4° | 120.0° |
| C35 | C40 | C39 | 120.1° | 120.0° |
| C35 | C40 | H40 | 120.3° | 120.0° |
| C37 | C36 | C41 | 119.1° | 120.0° |
| C36 | C37 | C38 | 121.2° | 120.0° |
| C36 | C37 | H37 | 119.7° | 120.0° |
| C36 | C41 | H411 | 111.0° | 109.5° |
| C36 | C41 | H412 | 111.0° | 109.4° |
| C38 | C37 | H37 | 119.1° | 120.0° |
| C37 | C38 | C39 | 119.9° | 120.0° |
| C37 | C38 | H38 | 120.4° | 120.0° |
| C39 | C38 | H38 | 119.7° | 119.9° |
| C38 | C39 | C40 | 120.1° | 120.0° |
| C38 | C39 | H39 | 119.8° | 120.0° |
| C40 | C39 | H39 | 120.1° | 120.0° |
| C39 | C40 | H40 | 119.6° | 120.0° |
| H411 | C41 | H412 | 99.3° | 109.4° |
| N7 | C42 | O5 | 124.4° | 120.0° |
| C42 | N7 | HN7 | 113.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C1 | C42 | H11 | 125.2° | 120.1° |
| C20 | C1 | C42 | H12 | 125.3° | 120.0° |
| C20 | C1 | H11 | H12 | 119.1° | 120.0° |
| C1 | C20 | C2 | O4 | 125.7° | 120.0° |
| C1 | C20 | C2 | H20 | 114.9° | 120.1° |
| C1 | C20 | C2 | C41 | 143.0° | 180.0° |
| C1 | C20 | C2 | N1 | 88.7° | 60.0° |
| C1 | C20 | C2 | H2 | 26.5° | 59.9° |
| C1 | C20 | O4 | H20 | 115.0° | 120.0° |
| C20 | C1 | C42 | N7 | 66.1° | 180.0° |
| C20 | C1 | C42 | O5 | 109.7° | 0.0° |
| C1 | C20 | O4 | HO4 | 180.0° | 60.1° |
| C42 | C1 | H11 | H12 | 119.1° | 119.9° |
| C42 | C1 | C20 | C2 | 62.3° | 180.0° |
| C42 | C1 | C20 | O4 | 175.4° | 60.0° |
| C42 | C1 | C20 | H20 | 56.6° | 59.9° |
| C1 | C42 | N7 | C34 | 176.6° | 180.0° |
| C1 | C42 | N7 | O5 | 175.7° | 180.0° |
| C1 | C42 | N7 | HN7 | 3.4° | 0.1° |
| H11 | C1 | C20 | C2 | 62.9° | 60.0° |
| H11 | C1 | C20 | O4 | 59.3° | 180.0° |
| H11 | C1 | C20 | H20 | 178.2° | 60.1° |
| H11 | C1 | C42 | N7 | 168.7° | 59.9° |
| H11 | C1 | C42 | O5 | 15.5° | 120.1° |
| H12 | C1 | C20 | C2 | 172.5° | 60.0° |
| H12 | C1 | C20 | O4 | 50.2° | 60.0° |
| H12 | C1 | C20 | H20 | 68.6° | 179.9° |
| H12 | C1 | C42 | N7 | 59.2° | 60.0° |
| H12 | C1 | C42 | O5 | 125.0° | 120.0° |
| C20 | C2 | C41 | N1 | 128.1° | 120.1° |
| C20 | C2 | C41 | H2 | 116.8° | 120.0° |
| C20 | C2 | N1 | H2 | 116.6° | 119.9° |
| C20 | C2 | N1 | C3 | 146.6° | 145.4° |
| C2 | C20 | O4 | H20 | 119.4° | 120.0° |
| C20 | C2 | C41 | C36 | 70.6° | 173.8° |
| C20 | C2 | C41 | H411 | 54.7° | 53.7° |
| C20 | C2 | C41 | H412 | 164.2° | 66.2° |
| C20 | C2 | N1 | HN1 | 33.4° | 34.6° |
| C2 | C20 | O4 | HO4 | 54.3° | 60.0° |
| C41 | C2 | N1 | H2 | 116.2° | 120.0° |
| C41 | C2 | N1 | C3 | 86.1° | 94.5° |
| C41 | C2 | C20 | O4 | 91.3° | 60.0° |
| C41 | C2 | C20 | H20 | 28.0° | 59.9° |
| C2 | C41 | C36 | C35 | 90.9° | 86.2° |
| C2 | C41 | C36 | C37 | 91.2° | 94.1° |
| C2 | C41 | C36 | H411 | 125.3° | 120.1° |
| C2 | C41 | C36 | H412 | 125.2° | 120.0° |
| C2 | C41 | H411 | H412 | 117.0° | 120.0° |
| C41 | C2 | N1 | HN1 | 93.8° | 85.5° |
| C2 | N1 | C3 | C4 | 166.0° | 178.2° |
| C2 | N1 | C3 | HN1 | 180.0° | 180.0° |
| C2 | N1 | C3 | O1 | 12.7° | 1.8° |
| N1 | C2 | C20 | O4 | 37.0° | 60.1° |
| N1 | C2 | C20 | H20 | 156.4° | 180.0° |
| N1 | C2 | C41 | C36 | 161.3° | 66.1° |
| N1 | C2 | C41 | H411 | 73.4° | 173.8° |
| N1 | C2 | C41 | H412 | 36.1° | 53.9° |
| H2 | C2 | N1 | C3 | 30.0° | 25.5° |
| H2 | C2 | C20 | O4 | 152.2° | 180.0° |
| H2 | C2 | C20 | H20 | 88.5° | 60.1° |
| H2 | C2 | C41 | C36 | 46.2° | 53.8° |
| H2 | C2 | C41 | H411 | 171.5° | 66.3° |
| H2 | C2 | C41 | H412 | 79.0° | 173.8° |
| H2 | C2 | N1 | HN1 | 150.0° | 154.5° |
| C4 | C3 | N1 | O1 | 178.7° | 180.0° |
| C3 | C4 | C6 | N2 | 128.8° | 121.0° |
| C3 | C4 | C6 | H4 | 112.2° | 117.8° |
| C3 | C4 | N2 | H4 | 112.7° | 117.8° |
| C3 | C4 | N2 | C5 | 167.7° | 88.5° |
| C3 | C4 | C6 | C7 | 46.8° | 2.7° |
| C3 | C4 | C6 | C8 | 85.4° | 126.4° |
| C3 | C4 | C6 | S1 | 160.4° | 115.4° |
| C4 | C3 | N1 | HN1 | 14.1° | 1.8° |
| C3 | C4 | N2 | HN2 | 67.0° | 28.1° |
| N1 | C3 | C4 | C6 | 81.9° | 88.1° |
| N1 | C3 | C4 | N2 | 151.8° | 147.7° |
| N1 | C3 | C4 | H4 | 33.7° | 29.9° |
| O1 | C3 | C4 | C6 | 96.7° | 91.9° |
| O1 | C3 | C4 | N2 | 29.6° | 32.3° |
| O1 | C3 | C4 | H4 | 147.6° | 150.2° |
| O1 | C3 | N1 | HN1 | 167.2° | 178.2° |
| C6 | C4 | N2 | H4 | 117.0° | 121.3° |
| C6 | C4 | N2 | C5 | 37.3° | 32.4° |
| C4 | C6 | S1 | C5 | 15.7° | 16.2° |
| C4 | C6 | C7 | C8 | 131.4° | 123.8° |
| C4 | C6 | C7 | S1 | 114.3° | 112.5° |
| C4 | C6 | C8 | S1 | 113.7° | 112.4° |
| C4 | C6 | C7 | H71 | 180.0° | 177.0° |
| C4 | C6 | C7 | H72 | 54.7° | 63.0° |
| C4 | C6 | C7 | H73 | 54.7° | 56.9° |
| C4 | C6 | C8 | H81 | 180.0° | 176.9° |
| C4 | C6 | C8 | H82 | 54.7° | 56.9° |
| C4 | C6 | C8 | H83 | 54.7° | 63.1° |
| C6 | C4 | N2 | HN2 | 162.6° | 149.0° |
| C4 | N2 | C5 | C9 | 94.6° | 158.0° |
| C4 | N2 | C5 | HN2 | 125.3° | 116.7° |
| C4 | N2 | C5 | S1 | 24.5° | 40.4° |
| C4 | N2 | C5 | H5 | 146.9° | 77.2° |
| N2 | C4 | C6 | C7 | 82.0° | 123.7° |
| N2 | C4 | C6 | C8 | 145.7° | 112.6° |
| N2 | C4 | C6 | S1 | 31.5° | 5.5° |
| H4 | C4 | N2 | C5 | 79.6° | 153.7° |
| H4 | C4 | C6 | C7 | 159.0° | 115.1° |
| H4 | C4 | C6 | C8 | 26.8° | 8.6° |
| H4 | C4 | C6 | S1 | 87.4° | 126.7° |
| H4 | C4 | N2 | HN2 | 45.6° | 89.7° |
| C9 | C5 | N2 | S1 | 119.1° | 117.5° |
| C9 | C5 | N2 | H5 | 118.5° | 124.9° |
| C9 | C5 | S1 | H5 | 118.6° | 124.8° |
| C9 | C5 | S1 | C6 | 119.5° | 149.7° |
| C5 | C9 | C18 | N3 | 126.4° | 120.0° |
| C5 | C9 | C18 | H9 | 118.9° | 119.9° |
| C5 | C9 | N3 | H9 | 118.8° | 120.0° |
| C5 | C9 | N3 | C10 | 98.0° | 150.0° |
| C5 | C9 | C18 | N4 | 53.6° | 102.2° |
| C5 | C9 | C18 | O3 | 128.5° | 77.8° |
| C9 | C5 | N2 | HN2 | 30.6° | 85.4° |
| C5 | C9 | N3 | HN3 | 82.0° | 30.0° |
| N2 | C5 | S1 | H5 | 118.3° | 117.6° |
| N2 | C5 | S1 | C6 | 3.6° | 32.1° |
| N2 | C5 | C9 | C18 | 179.1° | 66.2° |
| N2 | C5 | C9 | N3 | 50.1° | 53.8° |
| N2 | C5 | C9 | H9 | 65.3° | 173.9° |
| C5 | S1 | C6 | C7 | 106.0° | 102.0° |
| C5 | S1 | C6 | C8 | 134.1° | 134.3° |
| S1 | C5 | C9 | C18 | 61.7° | 176.3° |
| S1 | C5 | C9 | N3 | 169.4° | 56.3° |
| S1 | C5 | C9 | H9 | 53.9° | 63.8° |
| S1 | C5 | N2 | HN2 | 149.7° | 157.1° |
| H5 | C5 | S1 | C6 | 121.9° | 85.5° |
| H5 | C5 | C9 | C18 | 60.8° | 58.8° |
| H5 | C5 | C9 | N3 | 68.1° | 178.8° |
| H5 | C5 | C9 | H9 | 176.4° | 61.1° |
| H5 | C5 | N2 | HN2 | 87.8° | 39.5° |
| C7 | C6 | C8 | S1 | 113.1° | 123.8° |
| C6 | C7 | H71 | H72 | 125.3° | 120.0° |
| C6 | C7 | H71 | H73 | 125.3° | 120.0° |
| C6 | C7 | H72 | H73 | 115.8° | 120.0° |
| C7 | C6 | C8 | H81 | 46.8° | 59.3° |
| C7 | C6 | C8 | H82 | 172.1° | 179.3° |
| C7 | C6 | C8 | H83 | 78.5° | 60.7° |
| C8 | C6 | C7 | H71 | 48.6° | 59.3° |
| C8 | C6 | C7 | H72 | 76.7° | 60.7° |
| C8 | C6 | C7 | H73 | 173.9° | 179.3° |
| C6 | C8 | H81 | H82 | 125.3° | 120.0° |
| C6 | C8 | H81 | H83 | 125.2° | 120.0° |
| C6 | C8 | H82 | H83 | 117.2° | 120.0° |
| S1 | C6 | C7 | H71 | 65.7° | 64.5° |
| S1 | C6 | C7 | H72 | 169.0° | 175.5° |
| S1 | C6 | C7 | H73 | 59.6° | 55.5° |
| S1 | C6 | C8 | H81 | 66.3° | 64.5° |
| S1 | C6 | C8 | H82 | 59.0° | 55.6° |
| S1 | C6 | C8 | H83 | 168.4° | 175.5° |
| H71 | C7 | H72 | H73 | 115.7° | 120.0° |
| H81 | C8 | H82 | H83 | 117.3° | 120.0° |
| C18 | C9 | N3 | H9 | 114.9° | 120.0° |
| C18 | C9 | N3 | C10 | 135.7° | 90.0° |
| C9 | C18 | N4 | O3 | 178.1° | 180.0° |
| C9 | C18 | N4 | C19 | 3.4° | 177.7° |
| C18 | C9 | N3 | HN3 | 44.3° | 90.0° |
| C9 | C18 | N4 | HN4 | 176.5° | 2.2° |
| C9 | N3 | C10 | C11 | 156.9° | 180.0° |
| C9 | N3 | C10 | HN3 | 180.0° | 179.9° |
| C9 | N3 | C10 | O2 | 21.4° | 0.0° |
| N3 | C9 | C18 | N4 | 72.8° | 17.8° |
| N3 | C9 | C18 | O3 | 105.2° | 162.2° |
| H9 | C9 | N3 | C10 | 20.8° | 30.0° |
| H9 | C9 | C18 | N4 | 172.5° | 137.9° |
| H9 | C9 | C18 | O3 | 9.6° | 42.1° |
| H9 | C9 | N3 | HN3 | 159.2° | 150.0° |
| C11 | C10 | N3 | O2 | 178.3° | 180.0° |
| C10 | C11 | C12 | H111 | 125.3° | 120.0° |
| C10 | C11 | C12 | H112 | 125.3° | 120.0° |
| C10 | C11 | H111 | H112 | 117.6° | 120.0° |
| C10 | C11 | C12 | C13 | 104.6° | 90.0° |
| C10 | C11 | C12 | C17 | 71.1° | 90.2° |
| C11 | C10 | N3 | HN3 | 23.1° | 0.0° |
| N3 | C10 | C11 | C12 | 123.2° | 180.0° |
| N3 | C10 | C11 | H111 | 111.5° | 60.0° |
| N3 | C10 | C11 | H112 | 2.1° | 60.0° |
| O2 | C10 | C11 | C12 | 55.1° | 0.0° |
| O2 | C10 | C11 | H111 | 70.2° | 120.0° |
| O2 | C10 | C11 | H112 | 179.6° | 120.0° |
| O2 | C10 | N3 | HN3 | 158.6° | 180.0° |
| C12 | C11 | H111 | H112 | 117.6° | 120.0° |
| C11 | C12 | C13 | C17 | 175.7° | 179.8° |
| C11 | C12 | C13 | C14 | 173.9° | 180.0° |
| C11 | C12 | C13 | H13 | 6.2° | 0.0° |
| C11 | C12 | C17 | C16 | 173.9° | 179.8° |
| C11 | C12 | C17 | H17 | 6.2° | 0.1° |
| H111 | C11 | C12 | C13 | 20.7° | 30.0° |
| H111 | C11 | C12 | C17 | 163.6° | 149.8° |
| H112 | C11 | C12 | C13 | 130.1° | 150.0° |
| H112 | C11 | C12 | C17 | 54.1° | 29.8° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.6° | 0.1° |
| C12 | C13 | C14 | H14 | 179.4° | 180.0° |
| C13 | C12 | C17 | C16 | 2.0° | 0.4° |
| C13 | C12 | C17 | H17 | 178.0° | 179.9° |
| C17 | C12 | C13 | C14 | 1.9° | 0.3° |
| C17 | C12 | C13 | H13 | 178.1° | 179.8° |
| C12 | C17 | C16 | C15 | 0.9° | 0.4° |
| C12 | C17 | C16 | H17 | 179.9° | 179.7° |
| C12 | C17 | C16 | H16 | 179.2° | 179.8° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.5° | 0.0° |
| C13 | C14 | C15 | H15 | 179.5° | 180.0° |
| H13 | C13 | C14 | C15 | 179.3° | 180.0° |
| H13 | C13 | C14 | H14 | 0.7° | 0.1° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.4° | 0.2° |
| C14 | C15 | C16 | H16 | 179.6° | 180.0° |
| H14 | C14 | C15 | C16 | 179.5° | 180.0° |
| H14 | C14 | C15 | H15 | 0.5° | 0.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | H17 | 179.1° | 180.0° |
| H15 | C15 | C16 | C17 | 179.6° | 179.8° |
| H15 | C15 | C16 | H16 | 0.4° | 0.0° |
| H16 | C16 | C17 | H17 | 0.9° | 0.1° |
| C18 | N4 | C19 | C23 | 87.0° | 176.6° |
| C18 | N4 | C19 | HN4 | 180.0° | 179.9° |
| C18 | N4 | C19 | H191 | 38.2° | 56.5° |
| C18 | N4 | C19 | H192 | 147.7° | 63.5° |
| O3 | C18 | N4 | C19 | 178.5° | 2.3° |
| O3 | C18 | N4 | HN4 | 1.6° | 177.8° |
| C23 | C19 | N4 | H191 | 125.3° | 120.0° |
| C23 | C19 | N4 | H192 | 125.2° | 120.0° |
| C23 | C19 | H191 | H192 | 116.3° | 120.0° |
| C19 | C23 | C22 | C21 | 179.9° | 180.0° |
| C19 | C23 | C22 | C24 | 178.6° | 179.8° |
| C19 | C23 | C22 | H22 | 0.0° | 0.0° |
| C19 | C23 | C24 | C25 | 177.5° | 179.8° |
| C19 | C23 | C24 | H24 | 2.5° | 0.2° |
| C23 | C19 | N4 | HN4 | 92.9° | 3.5° |
| N4 | C19 | H191 | H192 | 116.4° | 120.0° |
| N4 | C19 | C23 | C22 | 94.7° | 94.3° |
| N4 | C19 | C23 | C24 | 83.9° | 85.9° |
| H191 | C19 | C23 | C22 | 140.0° | 25.7° |
| H191 | C19 | C23 | C24 | 41.4° | 154.1° |
| H191 | C19 | N4 | HN4 | 141.8° | 123.5° |
| H192 | C19 | C23 | C22 | 30.5° | 145.7° |
| H192 | C19 | C23 | C24 | 150.9° | 34.1° |
| H192 | C19 | N4 | HN4 | 32.3° | 116.5° |
| H20 | C20 | O4 | HO4 | 65.1° | 180.0° |
| C22 | C21 | C26 | H21 | 180.0° | 180.0° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 1.4° | 0.2° |
| C22 | C21 | C26 | C25 | 0.5° | 0.1° |
| C22 | C21 | C26 | H26 | 179.5° | 180.0° |
| C26 | C21 | C22 | C23 | 1.7° | 0.0° |
| C26 | C21 | C22 | H22 | 178.3° | 180.0° |
| C21 | C26 | C25 | C24 | 3.0° | 0.1° |
| C21 | C26 | C25 | H26 | 180.0° | 180.0° |
| C21 | C26 | C25 | H25 | 177.0° | 180.0° |
| H21 | C21 | C22 | C23 | 178.3° | 180.0° |
| H21 | C21 | C22 | H22 | 1.7° | 0.0° |
| H21 | C21 | C26 | C25 | 179.5° | 180.0° |
| H21 | C21 | C26 | H26 | 0.5° | 0.0° |
| C22 | C23 | C24 | C25 | 1.1° | 0.4° |
| C22 | C23 | C24 | H24 | 178.9° | 180.0° |
| H22 | C22 | C23 | C24 | 178.6° | 179.8° |
| C23 | C24 | C25 | H24 | 180.0° | 179.6° |
| C23 | C24 | C25 | C26 | 3.3° | 0.4° |
| C23 | C24 | C25 | H25 | 176.7° | 179.7° |
| C24 | C25 | C26 | H25 | 180.0° | 179.9° |
| C24 | C25 | C26 | H26 | 177.0° | 179.9° |
| H24 | C24 | C25 | C26 | 176.7° | 180.0° |
| H24 | C24 | C25 | H25 | 3.3° | 0.1° |
| H25 | C25 | C26 | H26 | 3.0° | 0.1° |
| C28 | C27 | C32 | H27 | 179.9° | 179.9° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 1.4° | 0.0° |
| C27 | C28 | C29 | N5 | 179.7° | 180.0° |
| C28 | C27 | C32 | C31 | 1.4° | 0.0° |
| C28 | C27 | C32 | H32 | 178.5° | 180.0° |
| C32 | C27 | C28 | C29 | 0.2° | 0.0° |
| C32 | C27 | C28 | H28 | 179.8° | 179.9° |
| C27 | C32 | C31 | C30 | 0.9° | 0.0° |
| C27 | C32 | C31 | H32 | 180.0° | 180.0° |
| C27 | C32 | C31 | H31 | 179.1° | 180.0° |
| H27 | C27 | C28 | C29 | 179.9° | 180.0° |
| H27 | C27 | C28 | H28 | 0.1° | 0.0° |
| H27 | C27 | C32 | C31 | 178.6° | 179.9° |
| H27 | C27 | C32 | H32 | 1.4° | 0.1° |
| C28 | C29 | C30 | N5 | 179.1° | 179.9° |
| C28 | C29 | C30 | C31 | 1.9° | 0.0° |
| C28 | C29 | C30 | N6 | 177.8° | 179.8° |
| C28 | C29 | N5 | C33 | 177.4° | 180.0° |
| C28 | C29 | N5 | HN5 | 2.7° | 0.0° |
| H28 | C28 | C29 | C30 | 178.6° | 179.9° |
| H28 | C28 | C29 | N5 | 0.2° | 0.0° |
| C29 | C30 | C31 | N6 | 179.7° | 179.7° |
| C29 | C30 | C31 | C32 | 0.7° | 0.0° |
| C29 | C30 | C31 | H31 | 179.3° | 180.0° |
| C30 | C29 | N5 | C33 | 1.6° | 0.1° |
| C29 | C30 | N6 | C33 | 0.4° | 0.5° |
| C30 | C29 | N5 | HN5 | 178.4° | 180.0° |
| N5 | C29 | C30 | C31 | 178.9° | 180.0° |
| N5 | C29 | C30 | N6 | 1.3° | 0.3° |
| C29 | N5 | C33 | C34 | 173.9° | 180.0° |
| C29 | N5 | C33 | HN5 | 180.0° | 180.0° |
| C29 | N5 | C33 | N6 | 1.5° | 0.2° |
| C30 | C31 | C32 | H31 | 180.0° | 180.0° |
| C30 | C31 | C32 | H32 | 179.1° | 180.0° |
| C31 | C30 | N6 | C33 | 179.8° | 179.9° |
| N6 | C30 | C31 | C32 | 179.0° | 179.6° |
| N6 | C30 | C31 | H31 | 1.0° | 0.4° |
| C30 | N6 | C33 | C34 | 174.6° | 179.8° |
| C30 | N6 | C33 | N5 | 0.6° | 0.4° |
| H31 | C31 | C32 | H32 | 0.9° | 0.0° |
| C34 | C33 | N5 | N6 | 175.3° | 179.8° |
| C33 | C34 | N7 | H341 | 125.3° | 120.0° |
| C33 | C34 | N7 | H342 | 125.3° | 120.0° |
| C33 | C34 | H341 | H342 | 118.7° | 120.0° |
| C33 | C34 | N7 | C42 | 79.1° | 180.0° |
| C34 | C33 | N5 | HN5 | 6.2° | 0.0° |
| C33 | C34 | N7 | HN7 | 100.9° | 0.1° |
| N5 | C33 | C34 | N7 | 40.9° | 180.0° |
| N5 | C33 | C34 | H341 | 84.4° | 60.0° |
| N5 | C33 | C34 | H342 | 166.2° | 60.0° |
| N6 | C33 | C34 | N7 | 134.1° | 0.3° |
| N6 | C33 | C34 | H341 | 100.6° | 120.3° |
| N6 | C33 | C34 | H342 | 8.8° | 119.7° |
| N6 | C33 | N5 | HN5 | 178.5° | 179.8° |
| N7 | C34 | H341 | H342 | 118.7° | 120.1° |
| C34 | N7 | C42 | HN7 | 180.0° | 179.9° |
| C34 | N7 | C42 | O5 | 7.7° | 0.0° |
| H341 | C34 | N7 | C42 | 46.2° | 60.0° |
| H341 | C34 | N7 | HN7 | 133.8° | 119.9° |
| H342 | C34 | N7 | C42 | 155.6° | 60.0° |
| H342 | C34 | N7 | HN7 | 24.4° | 120.0° |
| C36 | C35 | C40 | H35 | 180.0° | 180.0° |
| C35 | C36 | C37 | C41 | 178.1° | 179.7° |
| C35 | C36 | C37 | C38 | 1.7° | 0.4° |
| C35 | C36 | C37 | H37 | 178.3° | 179.9° |
| C36 | C35 | C40 | C39 | 0.0° | 0.1° |
| C36 | C35 | C40 | H40 | 180.0° | 180.0° |
| C35 | C36 | C41 | H411 | 34.4° | 33.9° |
| C35 | C36 | C41 | H412 | 143.9° | 153.8° |
| C40 | C35 | C36 | C37 | 1.3° | 0.3° |
| C40 | C35 | C36 | C41 | 176.7° | 180.0° |
| C35 | C40 | C39 | C38 | 1.0° | 0.0° |
| C35 | C40 | C39 | H40 | 180.0° | 180.0° |
| C35 | C40 | C39 | H39 | 179.0° | 180.0° |
| H35 | C35 | C36 | C37 | 178.7° | 179.7° |
| H35 | C35 | C36 | C41 | 3.3° | 0.0° |
| H35 | C35 | C40 | C39 | 180.0° | 180.0° |
| H35 | C35 | C40 | H40 | 0.0° | 0.0° |
| C36 | C37 | C38 | H37 | 180.0° | 179.6° |
| C36 | C37 | C38 | C39 | 0.7° | 0.3° |
| C36 | C37 | C38 | H38 | 179.2° | 179.7° |
| C37 | C36 | C41 | H411 | 143.5° | 145.8° |
| C37 | C36 | C41 | H412 | 34.1° | 25.9° |
| C41 | C36 | C37 | C38 | 176.4° | 179.8° |
| C41 | C36 | C37 | H37 | 3.6° | 0.2° |
| C36 | C41 | H411 | H412 | 116.9° | 120.0° |
| C37 | C38 | C39 | H38 | 180.0° | 179.9° |
| C37 | C38 | C39 | C40 | 0.7° | 0.1° |
| C37 | C38 | C39 | H39 | 179.3° | 179.9° |
| H37 | C37 | C38 | C39 | 179.3° | 180.0° |
| H37 | C37 | C38 | H38 | 0.8° | 0.1° |
| C38 | C39 | C40 | H39 | 180.0° | 180.0° |
| C38 | C39 | C40 | H40 | 179.0° | 179.9° |
| H38 | C38 | C39 | C40 | 179.4° | 180.0° |
| H38 | C38 | C39 | H39 | 0.6° | 0.1° |
| H39 | C39 | C40 | H40 | 1.0° | 0.0° |
| O5 | C42 | N7 | HN7 | 172.3° | 179.9° |
