X5T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | N1 | sing | 1.47Å | 1.46Å | |
| O13 | C29 | sing | 1.43Å | 1.43Å | |
| O12 | C28 | sing | 1.43Å | 1.42Å | |
| O2 | C11 | doub | 1.22Å | 1.24Å | |
| N1 | C11 | sing | 1.34Å | 1.41Å | |
| N1 | C13 | sing | 1.38Å | 1.40Å | |
| C29 | C28 | sing | 1.55Å | 1.53Å | |
| C29 | C26 | sing | 1.54Å | 1.53Å | |
| C18 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C27 | sing | 1.55Å | 1.53Å | |
| N8 | C33 | doub | 1.32Å | 1.34Å | Aromatic |
| N8 | C34 | sing | 1.33Å | 1.34Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.44Å | |
| C33 | N7 | sing | 1.32Å | 1.34Å | Aromatic |
| C13 | C14 | sing | 1.41Å | 1.41Å | Aromatic |
| C27 | O11 | sing | 1.44Å | 1.41Å | |
| C27 | N4 | sing | 1.46Å | 1.46Å | |
| C17 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C26 | O11 | sing | 1.44Å | 1.45Å | |
| C26 | C25 | sing | 1.53Å | 1.51Å | |
| C34 | N4 | sing | 1.37Å | 1.37Å | Aromatic |
| C34 | C31 | doub | 1.40Å | 1.39Å | Aromatic |
| N7 | C32 | doub | 1.33Å | 1.36Å | Aromatic |
| N4 | C30 | sing | 1.36Å | 1.37Å | Aromatic |
| C10 | C9 | doub | 1.37Å | 1.37Å | |
| C14 | C9 | sing | 1.47Å | 1.47Å | |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C19 | sing | 1.48Å | 1.48Å | |
| C25 | O10 | sing | 1.43Å | 1.43Å | |
| C21 | C19 | sing | 1.41Å | 1.40Å | Aromatic |
| C21 | N3 | doub | 1.31Å | 1.33Å | Aromatic |
| C9 | N | sing | 1.38Å | 1.41Å | |
| C31 | C32 | sing | 1.41Å | 1.41Å | Aromatic |
| C31 | N5 | sing | 1.36Å | 1.39Å | Aromatic |
| C32 | N6 | sing | 1.38Å | 1.33Å | |
| O10 | P1 | sing | 1.61Å | 1.58Å | |
| C19 | C20 | doub | 1.36Å | 1.37Å | Aromatic |
| C30 | N5 | doub | 1.30Å | 1.31Å | Aromatic |
| O9 | P1 | doub | 1.48Å | 1.49Å | |
| N3 | N2 | sing | 1.40Å | 1.36Å | Aromatic |
| P1 | O8 | sing | 1.61Å | 1.53Å | |
| P1 | O7 | sing | 1.61Å | 1.59Å | |
| N | C6 | sing | 1.46Å | 1.46Å | |
| C20 | N2 | sing | 1.35Å | 1.34Å | Aromatic |
| N2 | C22 | sing | 1.47Å | 1.47Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| O7 | P | sing | 1.61Å | 1.59Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| O5 | P | sing | 1.61Å | 1.50Å | |
| O4 | C24 | sing | 1.43Å | 1.44Å | |
| O4 | P | sing | 1.61Å | 1.55Å | |
| C24 | C23 | sing | 1.53Å | 1.51Å | |
| P | O6 | doub | 1.48Å | 1.50Å | |
| C22 | C36 | sing | 1.55Å | 1.55Å | |
| C22 | O3 | sing | 1.44Å | 1.41Å | |
| C8 | C3 | sing | 1.53Å | 1.51Å | |
| C36 | C35 | sing | 1.55Å | 1.55Å | |
| C36 | O15 | sing | 1.43Å | 1.43Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| O3 | C23 | sing | 1.44Å | 1.44Å | |
| C23 | C35 | sing | 1.54Å | 1.53Å | |
| C35 | O14 | sing | 1.43Å | 1.42Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C3 | O1 | sing | 1.43Å | 1.44Å | |
| O1 | C2 | sing | 1.43Å | 1.43Å | |
| C2 | C1 | sing | 1.53Å | 1.49Å | |
| C1 | O | sing | 1.43Å | 1.42Å | |
| O | C | sing | 1.43Å | 1.42Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| O8 | H32 | sing | 0.97Å | 0.95Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.08Å | 1.08Å | |
| C20 | H25 | sing | 1.08Å | 1.08Å | |
| C21 | H26 | sing | 1.08Å | 1.08Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| O13 | H40 | sing | 0.97Å | 0.95Å | |
| O12 | H38 | sing | 0.97Å | 0.95Å | |
| C33 | H44 | sing | 1.08Å | 1.08Å | |
| N6 | H43 | sing | 0.97Å | 1.00Å | |
| N6 | H42 | sing | 0.97Å | 1.00Å | |
| C30 | H41 | sing | 1.08Å | 1.08Å | |
| O5 | H31 | sing | 0.97Å | 0.95Å | |
| C35 | H45 | sing | 1.09Å | 1.10Å | |
| O14 | H46 | sing | 0.97Å | 0.95Å | |
| C36 | H47 | sing | 1.09Å | 1.10Å | |
| O15 | H48 | sing | 0.97Å | 0.95Å | |
| C18 | H24 | sing | 1.08Å | 1.08Å | |
| C10 | H18 | sing | 1.08Å | 1.08Å | |
| C15 | H22 | sing | 1.08Å | 1.08Å | |
| N | H17 | sing | 0.97Å | 1.00Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | N1 | C11 | 118.3° | 119.4° |
| C12 | N1 | C13 | 118.4° | 119.3° |
| N1 | C12 | H19 | 109.5° | 109.5° |
| N1 | C12 | H20 | 109.4° | 109.5° |
| N1 | C12 | H21 | 109.5° | 109.5° |
| O13 | C29 | C28 | 110.7° | 110.5° |
| O13 | C29 | C26 | 111.5° | 110.5° |
| O13 | C29 | H39 | 111.6° | 110.6° |
| C29 | O13 | H40 | 109.5° | 114.0° |
| O12 | C28 | C29 | 112.9° | 110.9° |
| O12 | C28 | C27 | 110.7° | 110.9° |
| O12 | C28 | H37 | 111.7° | 110.8° |
| C28 | O12 | H38 | 109.5° | 114.0° |
| O2 | C11 | N1 | 120.6° | 119.1° |
| O2 | C11 | C10 | 122.9° | 119.1° |
| C11 | N1 | C13 | 123.2° | 121.3° |
| N1 | C11 | C10 | 116.4° | 121.8° |
| N1 | C13 | C18 | 120.7° | 120.8° |
| N1 | C13 | C14 | 119.8° | 119.5° |
| C28 | C29 | C26 | 102.6° | 104.1° |
| C29 | C28 | C27 | 100.9° | 102.1° |
| C29 | C28 | H37 | 110.1° | 111.0° |
| C28 | C29 | H39 | 110.0° | 110.4° |
| C29 | C26 | O11 | 105.6° | 107.3° |
| C29 | C26 | C25 | 116.1° | 109.9° |
| C29 | C26 | H35 | 108.1° | 110.0° |
| C26 | C29 | H39 | 110.0° | 110.5° |
| C13 | C18 | C17 | 120.4° | 120.0° |
| C18 | C13 | C14 | 119.5° | 119.7° |
| C13 | C18 | H24 | 119.8° | 120.0° |
| C18 | C17 | C16 | 120.6° | 120.6° |
| C18 | C17 | H23 | 119.7° | 119.7° |
| C17 | C18 | H24 | 119.8° | 120.0° |
| C28 | C27 | O11 | 106.3° | 103.4° |
| C28 | C27 | N4 | 113.7° | 110.6° |
| C28 | C27 | H36 | 108.9° | 110.7° |
| C27 | C28 | H37 | 110.0° | 110.9° |
| C33 | N8 | C34 | 111.2° | 120.6° |
| N8 | C33 | N7 | 128.8° | 122.5° |
| N8 | C33 | H44 | 115.6° | 118.8° |
| N8 | C34 | N4 | 127.7° | 134.9° |
| N8 | C34 | C31 | 126.6° | 119.1° |
| C11 | C10 | C9 | 122.3° | 120.2° |
| C11 | C10 | H18 | 118.8° | 119.9° |
| C33 | N7 | C32 | 118.4° | 121.1° |
| N7 | C33 | H44 | 115.6° | 118.7° |
| C13 | C14 | C9 | 118.1° | 118.9° |
| C13 | C14 | C15 | 119.0° | 120.0° |
| O11 | C27 | N4 | 107.6° | 110.6° |
| C27 | O11 | C26 | 110.4° | 107.0° |
| O11 | C27 | H36 | 110.5° | 110.6° |
| C27 | N4 | C34 | 128.5° | 126.3° |
| C27 | N4 | C30 | 125.8° | 126.3° |
| N4 | C27 | H36 | 109.9° | 110.6° |
| C17 | C16 | C15 | 119.0° | 120.1° |
| C17 | C16 | C19 | 121.5° | 120.0° |
| C16 | C17 | H23 | 119.7° | 119.7° |
| O11 | C26 | C25 | 109.5° | 109.9° |
| O11 | C26 | H35 | 109.2° | 109.9° |
| C26 | C25 | O10 | 108.6° | 109.5° |
| C25 | C26 | H35 | 108.3° | 109.8° |
| C26 | C25 | H34 | 109.7° | 109.5° |
| C26 | C25 | H33 | 109.7° | 109.4° |
| N4 | C34 | C31 | 105.7° | 106.0° |
| C34 | N4 | C30 | 105.7° | 107.5° |
| C34 | C31 | C32 | 117.0° | 118.2° |
| C34 | C31 | N5 | 110.7° | 107.1° |
| N7 | C32 | C31 | 117.9° | 118.5° |
| N7 | C32 | N6 | 118.8° | 120.8° |
| N4 | C30 | N5 | 114.1° | 109.9° |
| N4 | C30 | H41 | 122.9° | 125.0° |
| C10 | C9 | C14 | 120.0° | 118.3° |
| C10 | C9 | N | 122.1° | 120.8° |
| C9 | C10 | H18 | 118.9° | 120.0° |
| C9 | C14 | C15 | 122.9° | 121.1° |
| C14 | C9 | N | 117.9° | 120.8° |
| C14 | C15 | C16 | 121.3° | 119.6° |
| C14 | C15 | H22 | 119.3° | 120.2° |
| C15 | C16 | C19 | 119.3° | 119.9° |
| C16 | C15 | H22 | 119.3° | 120.2° |
| C16 | C19 | C21 | 129.3° | 126.3° |
| C16 | C19 | C20 | 125.9° | 126.2° |
| C25 | O10 | P1 | 125.6° | 123.0° |
| O10 | C25 | H34 | 109.7° | 109.5° |
| O10 | C25 | H33 | 109.7° | 109.5° |
| C19 | C21 | N3 | 111.9° | 108.1° |
| C21 | C19 | C20 | 104.3° | 107.5° |
| C19 | C21 | H26 | 124.0° | 125.9° |
| C21 | N3 | N2 | 104.2° | 108.5° |
| N3 | C21 | H26 | 124.0° | 125.9° |
| C9 | N | C6 | 124.4° | 120.0° |
| C9 | N | H17 | 105.6° | 120.0° |
| C32 | C31 | N5 | 132.2° | 134.7° |
| C31 | C32 | N6 | 123.2° | 120.8° |
| C31 | N5 | C30 | 103.7° | 109.5° |
| C32 | N6 | H43 | 109.5° | 120.0° |
| C32 | N6 | H42 | 109.5° | 120.0° |
| O10 | P1 | O9 | 110.6° | 109.5° |
| O10 | P1 | O8 | 105.1° | 109.4° |
| O10 | P1 | O7 | 104.7° | 109.5° |
| C19 | C20 | N2 | 107.1° | 107.6° |
| C19 | C20 | H25 | 126.5° | 126.2° |
| N5 | C30 | H41 | 123.0° | 125.0° |
| O9 | P1 | O8 | 118.8° | 109.5° |
| O9 | P1 | O7 | 108.3° | 109.5° |
| N3 | N2 | C20 | 112.4° | 108.2° |
| N3 | N2 | C22 | 122.6° | 125.9° |
| O8 | P1 | O7 | 108.4° | 109.5° |
| P1 | O8 | H32 | 109.5° | 114.0° |
| P1 | O7 | P | 137.1° | 134.0° |
| N | C6 | C7 | 111.0° | 109.5° |
| N | C6 | C5 | 110.1° | 109.5° |
| N | C6 | H1 | 108.9° | 109.4° |
| C6 | N | H17 | 105.6° | 120.0° |
| C20 | N2 | C22 | 125.0° | 125.9° |
| N2 | C20 | H25 | 126.4° | 126.2° |
| N2 | C22 | C36 | 114.1° | 110.6° |
| N2 | C22 | O3 | 109.0° | 110.6° |
| N2 | C22 | H27 | 109.0° | 110.7° |
| C7 | C6 | C5 | 110.4° | 109.5° |
| C6 | C7 | C8 | 111.1° | 109.5° |
| C7 | C6 | H1 | 108.2° | 109.5° |
| C6 | C7 | H13 | 109.1° | 109.5° |
| C6 | C7 | H14 | 109.1° | 109.5° |
| C6 | C5 | C4 | 111.5° | 109.5° |
| C6 | C5 | H11 | 108.9° | 109.4° |
| C6 | C5 | H12 | 108.9° | 109.5° |
| C5 | C6 | H1 | 108.2° | 109.5° |
| O7 | P | O5 | 108.1° | 109.5° |
| O7 | P | O4 | 105.6° | 109.5° |
| O7 | P | O6 | 107.9° | 109.4° |
| C7 | C8 | C3 | 111.5° | 109.5° |
| C8 | C7 | H13 | 109.1° | 109.5° |
| C8 | C7 | H14 | 109.0° | 109.5° |
| C7 | C8 | H16 | 109.0° | 109.4° |
| C7 | C8 | H15 | 109.0° | 109.4° |
| O5 | P | O4 | 104.6° | 109.5° |
| O5 | P | O6 | 120.3° | 109.4° |
| P | O5 | H31 | 109.5° | 114.0° |
| C24 | O4 | P | 125.2° | 123.0° |
| O4 | C24 | C23 | 109.9° | 109.5° |
| O4 | C24 | H29 | 109.4° | 109.5° |
| O4 | C24 | H30 | 109.4° | 109.5° |
| O4 | P | O6 | 109.3° | 109.5° |
| C24 | C23 | O3 | 109.7° | 110.0° |
| C24 | C23 | C35 | 113.4° | 109.9° |
| C24 | C23 | H28 | 109.4° | 109.9° |
| C23 | C24 | H29 | 109.4° | 109.5° |
| C23 | C24 | H30 | 109.4° | 109.5° |
| C36 | C22 | O3 | 106.9° | 103.5° |
| C22 | C36 | C35 | 104.2° | 102.1° |
| C22 | C36 | O15 | 109.7° | 110.9° |
| C36 | C22 | H27 | 108.0° | 110.7° |
| C22 | C36 | H47 | 110.2° | 111.0° |
| C22 | O3 | C23 | 109.1° | 106.9° |
| O3 | C22 | H27 | 109.8° | 110.7° |
| C8 | C3 | C4 | 111.6° | 109.4° |
| C8 | C3 | O1 | 106.2° | 109.5° |
| C8 | C3 | H | 109.1° | 109.4° |
| C3 | C8 | H16 | 109.0° | 109.5° |
| C3 | C8 | H15 | 108.9° | 109.5° |
| C35 | C36 | O15 | 110.5° | 110.9° |
| C36 | C35 | C23 | 104.3° | 104.2° |
| C36 | C35 | O14 | 115.1° | 110.5° |
| C36 | C35 | H45 | 108.0° | 110.6° |
| C35 | C36 | H47 | 110.2° | 110.9° |
| O15 | C36 | H47 | 111.9° | 110.9° |
| C36 | O15 | H48 | 109.5° | 114.0° |
| C5 | C4 | C3 | 110.8° | 109.4° |
| C5 | C4 | H9 | 109.1° | 109.5° |
| C5 | C4 | H10 | 109.1° | 109.5° |
| C4 | C5 | H11 | 109.0° | 109.5° |
| C4 | C5 | H12 | 109.0° | 109.5° |
| O3 | C23 | C35 | 104.5° | 107.3° |
| O3 | C23 | H28 | 110.4° | 109.9° |
| C23 | C35 | O14 | 111.1° | 110.5° |
| C35 | C23 | H28 | 109.2° | 109.9° |
| C23 | C35 | H45 | 108.3° | 110.5° |
| O14 | C35 | H45 | 109.8° | 110.5° |
| C35 | O14 | H46 | 109.5° | 114.0° |
| C4 | C3 | O1 | 110.3° | 109.5° |
| C4 | C3 | H | 109.2° | 109.5° |
| C3 | C4 | H9 | 109.1° | 109.5° |
| C3 | C4 | H10 | 109.1° | 109.4° |
| C3 | O1 | C2 | 116.6° | 114.0° |
| O1 | C3 | H | 110.3° | 109.5° |
| O1 | C2 | C1 | 108.9° | 109.4° |
| O1 | C2 | H8 | 109.6° | 109.5° |
| O1 | C2 | H7 | 109.6° | 109.5° |
| C2 | C1 | O | 107.4° | 109.5° |
| C2 | C1 | H6 | 110.0° | 109.4° |
| C2 | C1 | H5 | 110.0° | 109.5° |
| C1 | C2 | H8 | 109.6° | 109.5° |
| C1 | C2 | H7 | 109.6° | 109.5° |
| C1 | O | C | 112.7° | 114.0° |
| O | C1 | H6 | 110.0° | 109.4° |
| O | C1 | H5 | 110.0° | 109.5° |
| O | C | H4 | 109.5° | 109.4° |
| O | C | H3 | 109.5° | 109.5° |
| O | C | H2 | 109.5° | 109.4° |
| H6 | C1 | H5 | 109.5° | 109.5° |
| H8 | C2 | H7 | 109.4° | 109.5° |
| H9 | C4 | H10 | 109.5° | 109.5° |
| H11 | C5 | H12 | 109.5° | 109.5° |
| H19 | C12 | H20 | 109.5° | 109.4° |
| H19 | C12 | H21 | 109.5° | 109.5° |
| H20 | C12 | H21 | 109.5° | 109.5° |
| H29 | C24 | H30 | 109.5° | 109.5° |
| H34 | C25 | H33 | 109.5° | 109.4° |
| H43 | N6 | H42 | 109.4° | 120.0° |
| H13 | C7 | H14 | 109.5° | 109.5° |
| H16 | C8 | H15 | 109.5° | 109.5° |
| H4 | C | H3 | 109.5° | 109.5° |
| H4 | C | H2 | 109.4° | 109.5° |
| H3 | C | H2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | N1 | C11 | O2 | 0.7° | 0.3° |
| C12 | N1 | C11 | C13 | 177.7° | 180.0° |
| C12 | N1 | C13 | C18 | 2.0° | 0.1° |
| C12 | N1 | C11 | C10 | 177.1° | 180.0° |
| C12 | N1 | C13 | C14 | 178.5° | 180.0° |
| N1 | C12 | H19 | H20 | 120.0° | 120.0° |
| N1 | C12 | H19 | H21 | 120.0° | 120.0° |
| N1 | C12 | H20 | H21 | 120.0° | 120.0° |
| O13 | C29 | C28 | O12 | 35.5° | 20.4° |
| O13 | C29 | C28 | C26 | 119.1° | 118.7° |
| O13 | C29 | C28 | H39 | 123.8° | 122.7° |
| O13 | C29 | C26 | H39 | 124.4° | 122.7° |
| O13 | C29 | C28 | C27 | 82.7° | 97.8° |
| O13 | C29 | C26 | O11 | 90.8° | 120.7° |
| O13 | C29 | C26 | C25 | 147.8° | 119.9° |
| O13 | C29 | C26 | H35 | 25.9° | 1.2° |
| O13 | C29 | C28 | H37 | 161.0° | 144.0° |
| O12 | C28 | C29 | C27 | 118.2° | 118.2° |
| O12 | C28 | C29 | H37 | 125.5° | 123.6° |
| O12 | C28 | C29 | C26 | 154.7° | 139.1° |
| O12 | C28 | C27 | H37 | 123.9° | 123.5° |
| O12 | C28 | C27 | O11 | 153.3° | 155.3° |
| O12 | C28 | C27 | N4 | 88.5° | 86.2° |
| O12 | C28 | C27 | H36 | 34.3° | 36.7° |
| O12 | C28 | C29 | H39 | 88.3° | 102.3° |
| O2 | C11 | N1 | C10 | 176.4° | 179.7° |
| O2 | C11 | N1 | C13 | 178.4° | 179.7° |
| O2 | C11 | C10 | C9 | 178.6° | 179.7° |
| O2 | C11 | C10 | H18 | 1.5° | 0.3° |
| C11 | N1 | C13 | C18 | 175.7° | 180.0° |
| C11 | N1 | C13 | C14 | 3.8° | 0.1° |
| N1 | C11 | C10 | C9 | 2.2° | 0.0° |
| C11 | N1 | C12 | H19 | 180.0° | 0.0° |
| C11 | N1 | C12 | H20 | 60.0° | 119.9° |
| C11 | N1 | C12 | H21 | 60.0° | 120.0° |
| N1 | C11 | C10 | H18 | 177.8° | 180.0° |
| N1 | C13 | C18 | C14 | 179.5° | 179.9° |
| N1 | C13 | C18 | C17 | 178.1° | 179.9° |
| C13 | N1 | C11 | C10 | 5.1° | 0.1° |
| N1 | C13 | C14 | C9 | 0.5° | 0.0° |
| N1 | C13 | C14 | C15 | 178.5° | 180.0° |
| C13 | N1 | C12 | H19 | 2.2° | 180.0° |
| C13 | N1 | C12 | H20 | 117.9° | 60.0° |
| C13 | N1 | C12 | H21 | 122.2° | 60.0° |
| N1 | C13 | C18 | H24 | 1.9° | 0.1° |
| C28 | C29 | C26 | H39 | 117.1° | 118.6° |
| C29 | C28 | C27 | H37 | 116.3° | 118.3° |
| C29 | C28 | C27 | O11 | 33.6° | 37.0° |
| C29 | C28 | C27 | N4 | 151.7° | 155.5° |
| C28 | C29 | C26 | O11 | 27.8° | 2.0° |
| C28 | C29 | C26 | C25 | 93.7° | 121.4° |
| C28 | C29 | C26 | H35 | 144.5° | 117.5° |
| C29 | C28 | C27 | H36 | 85.4° | 81.5° |
| C28 | C29 | O13 | H40 | 180.0° | 61.5° |
| C29 | C28 | O12 | H38 | 180.0° | 67.3° |
| C26 | C29 | C28 | C27 | 36.4° | 20.9° |
| C29 | C26 | O11 | C27 | 6.9° | 26.5° |
| C29 | C26 | O11 | C25 | 125.6° | 119.5° |
| C29 | C26 | O11 | H35 | 116.0° | 119.6° |
| C29 | C26 | C25 | H35 | 121.7° | 121.2° |
| C29 | C26 | C25 | O10 | 53.9° | 175.7° |
| C26 | C29 | C28 | H37 | 79.8° | 97.3° |
| C29 | C26 | C25 | H34 | 173.7° | 64.2° |
| C29 | C26 | C25 | H33 | 66.0° | 55.7° |
| C26 | C29 | O13 | H40 | 66.4° | 176.2° |
| C13 | C18 | C17 | H24 | 180.0° | 179.9° |
| C13 | C18 | C17 | C16 | 1.8° | 0.0° |
| C18 | C13 | C14 | C9 | 180.0° | 180.0° |
| C18 | C13 | C14 | C15 | 1.0° | 0.1° |
| C13 | C18 | C17 | H23 | 178.2° | 180.0° |
| C17 | C18 | C13 | C14 | 1.4° | 0.0° |
| C18 | C17 | C16 | H23 | 180.0° | 179.9° |
| C18 | C17 | C16 | C15 | 1.9° | 0.0° |
| C18 | C17 | C16 | C19 | 176.5° | 179.9° |
| C28 | C27 | O11 | N4 | 122.1° | 118.5° |
| C28 | C27 | O11 | H36 | 117.9° | 118.6° |
| C28 | C27 | N4 | H36 | 122.3° | 123.0° |
| C28 | C27 | O11 | C26 | 17.1° | 40.0° |
| C28 | C27 | N4 | C34 | 104.9° | 89.8° |
| C28 | C27 | N4 | C30 | 73.9° | 90.5° |
| C27 | C28 | C29 | H39 | 153.5° | 139.6° |
| C27 | C28 | O12 | H38 | 67.7° | 180.0° |
| N8 | C33 | N7 | H44 | 180.0° | 180.0° |
| C33 | N8 | C34 | N4 | 179.1° | 180.0° |
| C33 | N8 | C34 | C31 | 1.6° | 0.0° |
| N8 | C33 | N7 | C32 | 2.2° | 0.1° |
| C34 | N8 | C33 | N7 | 2.4° | 0.0° |
| N8 | C34 | N4 | C27 | 0.3° | 0.0° |
| N8 | C34 | N4 | C31 | 179.4° | 180.0° |
| N8 | C34 | N4 | C30 | 179.3° | 179.8° |
| N8 | C34 | C31 | C32 | 0.8° | 0.0° |
| N8 | C34 | C31 | N5 | 179.8° | 180.0° |
| C34 | N8 | C33 | H44 | 177.6° | 180.0° |
| C11 | C10 | C9 | H18 | 180.0° | 180.0° |
| C11 | C10 | C9 | C14 | 1.9° | 0.0° |
| C11 | C10 | C9 | N | 178.8° | 180.0° |
| C33 | N7 | C32 | C31 | 0.9° | 0.1° |
| C33 | N7 | C32 | N6 | 178.6° | 180.0° |
| C13 | C14 | C9 | C10 | 3.3° | 0.0° |
| C13 | C14 | C9 | C15 | 179.0° | 180.0° |
| C13 | C14 | C15 | C16 | 1.1° | 0.1° |
| C13 | C14 | C9 | N | 177.4° | 180.0° |
| C14 | C13 | C18 | H24 | 178.6° | 180.0° |
| C13 | C14 | C15 | H22 | 178.9° | 180.0° |
| O11 | C27 | N4 | H36 | 120.3° | 122.9° |
| C27 | O11 | C26 | C25 | 118.7° | 146.0° |
| O11 | C27 | N4 | C34 | 137.7° | 156.2° |
| O11 | C27 | N4 | C30 | 43.5° | 23.5° |
| C27 | O11 | C26 | H35 | 122.9° | 93.1° |
| O11 | C27 | C28 | H37 | 82.7° | 81.2° |
| N4 | C27 | O11 | C26 | 139.2° | 158.5° |
| C27 | N4 | C34 | C30 | 179.0° | 179.8° |
| C27 | N4 | C34 | C31 | 179.6° | 180.0° |
| C27 | N4 | C30 | N5 | 179.4° | 179.9° |
| N4 | C27 | C28 | H37 | 35.4° | 37.3° |
| C27 | N4 | C30 | H41 | 0.6° | 0.0° |
| C17 | C16 | C15 | C14 | 1.5° | 0.0° |
| C17 | C16 | C15 | C19 | 174.8° | 180.0° |
| C17 | C16 | C19 | C21 | 6.0° | 180.0° |
| C17 | C16 | C19 | C20 | 176.3° | 0.5° |
| C16 | C17 | C18 | H24 | 178.2° | 179.9° |
| C17 | C16 | C15 | H22 | 178.5° | 180.0° |
| O11 | C26 | C25 | H35 | 118.9° | 121.0° |
| O11 | C26 | C25 | O10 | 65.5° | 66.4° |
| C26 | O11 | C27 | H36 | 100.9° | 78.6° |
| O11 | C26 | C25 | H34 | 54.4° | 53.6° |
| O11 | C26 | C25 | H33 | 174.7° | 173.6° |
| O11 | C26 | C29 | H39 | 144.8° | 116.6° |
| C26 | C25 | O10 | H34 | 119.8° | 120.0° |
| C26 | C25 | O10 | H33 | 119.8° | 120.0° |
| C26 | C25 | O10 | P1 | 154.4° | 180.0° |
| C26 | C25 | H34 | H33 | 120.4° | 119.9° |
| C25 | C26 | C29 | H39 | 23.4° | 2.8° |
| N4 | C34 | C31 | C32 | 179.9° | 180.0° |
| N4 | C34 | C31 | N5 | 0.8° | 0.1° |
| C34 | N4 | C30 | N5 | 1.5° | 0.4° |
| C34 | N4 | C27 | H36 | 17.3° | 33.3° |
| C34 | N4 | C30 | H41 | 178.5° | 179.8° |
| C34 | C31 | C32 | N7 | 0.3° | 0.0° |
| C31 | C34 | N4 | C30 | 1.3° | 0.2° |
| C34 | C31 | C32 | N5 | 178.8° | 180.0° |
| C34 | C31 | C32 | N6 | 179.2° | 179.9° |
| C34 | C31 | N5 | C30 | 0.1° | 0.3° |
| N7 | C32 | C31 | N6 | 179.5° | 179.9° |
| N7 | C32 | C31 | N5 | 179.1° | 179.9° |
| C32 | N7 | C33 | H44 | 177.8° | 180.0° |
| N7 | C32 | N6 | H43 | 0.0° | 0.1° |
| N7 | C32 | N6 | H42 | 120.0° | 180.0° |
| N4 | C30 | N5 | C31 | 1.0° | 0.4° |
| N4 | C30 | N5 | H41 | 180.0° | 179.8° |
| C30 | N4 | C27 | H36 | 163.8° | 146.4° |
| C10 | C9 | C14 | N | 179.3° | 180.0° |
| C10 | C9 | C14 | C15 | 175.7° | 180.0° |
| C10 | C9 | N | C6 | 0.6° | 0.0° |
| C10 | C9 | N | H17 | 121.4° | 180.0° |
| C9 | C14 | C15 | C16 | 179.9° | 180.0° |
| C14 | C9 | N | C6 | 180.0° | 180.0° |
| C14 | C9 | C10 | H18 | 178.1° | 180.0° |
| C9 | C14 | C15 | H22 | 0.1° | 0.0° |
| C14 | C9 | N | H17 | 58.0° | 0.0° |
| C14 | C15 | C16 | H22 | 180.0° | 179.9° |
| C14 | C15 | C16 | C19 | 176.3° | 180.0° |
| C15 | C14 | C9 | N | 3.7° | 0.0° |
| C15 | C16 | C19 | C21 | 168.6° | 0.0° |
| C15 | C16 | C19 | C20 | 1.7° | 179.5° |
| C15 | C16 | C17 | H23 | 178.1° | 180.0° |
| C16 | C19 | C21 | C20 | 171.9° | 179.6° |
| C16 | C19 | C21 | N3 | 176.2° | 180.0° |
| C16 | C19 | C20 | N2 | 175.0° | 180.0° |
| C19 | C16 | C17 | H23 | 3.5° | 0.0° |
| C16 | C19 | C20 | H25 | 5.0° | 0.3° |
| C16 | C19 | C21 | H26 | 3.7° | 0.1° |
| C19 | C16 | C15 | H22 | 3.7° | 0.1° |
| C25 | O10 | P1 | O9 | 47.3° | 55.0° |
| C25 | O10 | P1 | O8 | 176.7° | 65.0° |
| C25 | O10 | P1 | O7 | 69.1° | 175.0° |
| O10 | C25 | C26 | H35 | 175.6° | 54.5° |
| O10 | C25 | H34 | H33 | 120.5° | 120.0° |
| C19 | C21 | N3 | H26 | 180.0° | 180.0° |
| C19 | C21 | N3 | N2 | 4.0° | 0.3° |
| C21 | C19 | C20 | N2 | 2.8° | 0.4° |
| C21 | C19 | C20 | H25 | 177.2° | 179.9° |
| N3 | C21 | C19 | C20 | 4.3° | 0.4° |
| C21 | N3 | N2 | C20 | 2.2° | 0.0° |
| C21 | N3 | N2 | C22 | 180.0° | 180.0° |
| C9 | N | C6 | H17 | 122.0° | 179.9° |
| C9 | N | C6 | C7 | 87.4° | 155.0° |
| C9 | N | C6 | C5 | 150.1° | 85.0° |
| C9 | N | C6 | H1 | 31.6° | 35.0° |
| N | C9 | C10 | H18 | 1.2° | 0.0° |
| C32 | C31 | N5 | C30 | 178.8° | 179.7° |
| C31 | C32 | N6 | H43 | 179.5° | 180.0° |
| C31 | C32 | N6 | H42 | 60.6° | 0.1° |
| N5 | C31 | C32 | N6 | 0.4° | 0.0° |
| C31 | N5 | C30 | H41 | 179.0° | 179.8° |
| C32 | N6 | H43 | H42 | 120.0° | 179.9° |
| O10 | P1 | O9 | O8 | 121.6° | 120.0° |
| O10 | P1 | O9 | O7 | 114.2° | 120.0° |
| O10 | P1 | O8 | O7 | 111.5° | 120.0° |
| O10 | P1 | O7 | P | 44.2° | 165.0° |
| O10 | P1 | O8 | H32 | 124.3° | 60.0° |
| P1 | O10 | C25 | H34 | 85.8° | 60.0° |
| P1 | O10 | C25 | H33 | 34.5° | 60.0° |
| C19 | C20 | N2 | N3 | 0.5° | 0.3° |
| C19 | C20 | N2 | H25 | 180.0° | 179.7° |
| C19 | C20 | N2 | C22 | 177.3° | 179.7° |
| C20 | C19 | C21 | H26 | 175.7° | 179.5° |
| O9 | P1 | O8 | O7 | 124.2° | 120.0° |
| O9 | P1 | O7 | P | 162.2° | 45.0° |
| O9 | P1 | O8 | H32 | 0.0° | 180.0° |
| N3 | N2 | C20 | C22 | 177.8° | 180.0° |
| N3 | N2 | C22 | C36 | 19.4° | 54.9° |
| N3 | N2 | C22 | O3 | 138.8° | 59.1° |
| N3 | N2 | C20 | H25 | 179.5° | 180.0° |
| N2 | N3 | C21 | H26 | 176.0° | 179.7° |
| N3 | N2 | C22 | H27 | 101.4° | 177.9° |
| O8 | P1 | O7 | P | 67.6° | 75.0° |
| P1 | O7 | P | O5 | 10.1° | 80.0° |
| P1 | O7 | P | O4 | 101.4° | 160.0° |
| P1 | O7 | P | O6 | 141.7° | 40.0° |
| O7 | P1 | O8 | H32 | 124.2° | 60.0° |
| N | C6 | C7 | C5 | 122.3° | 120.0° |
| N | C6 | C7 | H1 | 119.4° | 120.0° |
| N | C6 | C5 | H1 | 118.9° | 120.0° |
| N | C6 | C7 | C8 | 178.6° | 180.0° |
| N | C6 | C5 | C4 | 179.8° | 180.0° |
| N | C6 | C5 | H11 | 59.5° | 60.0° |
| N | C6 | C5 | H12 | 59.9° | 60.0° |
| N | C6 | C7 | H13 | 61.2° | 60.0° |
| N | C6 | C7 | H14 | 58.4° | 60.0° |
| C20 | N2 | C22 | C36 | 158.2° | 125.1° |
| C20 | N2 | C22 | O3 | 38.8° | 120.9° |
| C20 | N2 | C22 | H27 | 81.0° | 2.1° |
| N2 | C22 | C36 | O3 | 120.6° | 118.4° |
| N2 | C22 | C36 | H27 | 121.3° | 123.0° |
| N2 | C22 | O3 | H27 | 119.3° | 123.0° |
| N2 | C22 | C36 | C35 | 111.7° | 155.5° |
| N2 | C22 | C36 | O15 | 130.1° | 86.3° |
| N2 | C22 | O3 | C23 | 96.2° | 158.6° |
| C22 | N2 | C20 | H25 | 2.7° | 0.0° |
| N2 | C22 | C36 | H47 | 6.5° | 37.3° |
| C7 | C6 | C5 | H1 | 118.2° | 120.0° |
| C6 | C7 | C8 | H13 | 120.2° | 120.0° |
| C6 | C7 | C8 | H14 | 120.2° | 120.0° |
| C6 | C7 | C8 | C3 | 55.4° | 60.0° |
| C7 | C6 | C5 | C4 | 56.9° | 60.0° |
| C7 | C6 | C5 | H11 | 63.4° | 180.0° |
| C7 | C6 | C5 | H12 | 177.2° | 60.0° |
| C7 | C6 | N | H17 | 34.6° | 25.0° |
| C6 | C7 | H13 | H14 | 119.3° | 120.0° |
| C6 | C7 | C8 | H16 | 64.9° | 180.0° |
| C6 | C7 | C8 | H15 | 175.7° | 60.0° |
| C5 | C6 | C7 | C8 | 56.3° | 60.0° |
| C6 | C5 | C4 | H11 | 120.3° | 120.0° |
| C6 | C5 | C4 | H12 | 120.3° | 120.0° |
| C6 | C5 | C4 | C3 | 56.1° | 60.0° |
| C6 | C5 | C4 | H9 | 176.3° | 60.0° |
| C6 | C5 | C4 | H10 | 64.1° | 180.0° |
| C6 | C5 | H11 | H12 | 119.0° | 120.0° |
| C5 | C6 | N | H17 | 87.9° | 95.0° |
| C5 | C6 | C7 | H13 | 176.5° | 180.0° |
| C5 | C6 | C7 | H14 | 63.9° | 60.0° |
| O7 | P | O5 | O4 | 112.3° | 120.0° |
| O7 | P | O5 | O6 | 124.5° | 119.9° |
| O7 | P | O4 | C24 | 60.3° | 175.0° |
| O7 | P | O4 | O6 | 115.9° | 120.0° |
| O7 | P | O5 | H31 | 124.5° | 60.0° |
| C7 | C8 | C3 | H16 | 120.3° | 120.0° |
| C7 | C8 | C3 | H15 | 120.3° | 120.0° |
| C7 | C8 | C3 | C4 | 54.6° | 60.0° |
| C7 | C8 | C3 | O1 | 174.9° | 180.0° |
| C7 | C8 | C3 | H | 66.2° | 60.0° |
| C8 | C7 | C6 | H1 | 62.0° | 60.0° |
| C8 | C7 | H13 | H14 | 119.3° | 120.0° |
| C7 | C8 | H16 | H15 | 119.1° | 119.9° |
| O5 | P | O4 | C24 | 174.3° | 65.0° |
| O5 | P | O4 | O6 | 130.1° | 120.0° |
| O4 | C24 | C23 | H29 | 120.1° | 120.0° |
| O4 | C24 | C23 | H30 | 120.1° | 120.0° |
| C24 | O4 | P | O6 | 55.6° | 55.0° |
| O4 | C24 | C23 | O3 | 50.9° | 67.1° |
| O4 | C24 | C23 | C35 | 167.3° | 175.0° |
| O4 | C24 | C23 | H28 | 70.4° | 54.0° |
| O4 | C24 | H29 | H30 | 119.8° | 120.0° |
| P | O4 | C24 | C23 | 103.8° | 180.0° |
| P | O4 | C24 | H29 | 136.2° | 60.0° |
| P | O4 | C24 | H30 | 16.3° | 60.0° |
| O4 | P | O5 | H31 | 123.2° | 60.0° |
| C24 | C23 | O3 | C22 | 87.1° | 146.0° |
| C24 | C23 | C35 | C36 | 92.2° | 121.6° |
| C24 | C23 | O3 | C35 | 122.0° | 119.5° |
| C24 | C23 | O3 | H28 | 120.7° | 121.1° |
| C24 | C23 | C35 | H28 | 122.3° | 121.0° |
| C24 | C23 | C35 | O14 | 143.2° | 119.7° |
| C23 | C24 | H29 | H30 | 119.8° | 120.0° |
| C24 | C23 | C35 | H45 | 22.7° | 2.8° |
| O6 | P | O5 | H31 | 0.0° | 180.0° |
| C36 | C22 | O3 | H27 | 116.9° | 118.6° |
| C22 | C36 | C35 | O15 | 117.7° | 118.1° |
| C22 | C36 | C35 | H47 | 118.2° | 118.2° |
| C22 | C36 | O15 | H47 | 122.6° | 123.7° |
| C36 | C22 | O3 | C23 | 27.6° | 40.1° |
| C22 | C36 | C35 | C23 | 11.3° | 20.9° |
| C22 | C36 | C35 | O14 | 110.7° | 97.8° |
| C22 | C36 | C35 | H45 | 126.3° | 139.6° |
| C22 | C36 | O15 | H48 | 180.0° | 180.0° |
| O3 | C22 | C36 | C35 | 8.9° | 37.1° |
| O3 | C22 | C36 | O15 | 109.3° | 155.2° |
| C22 | O3 | C23 | C35 | 34.9° | 26.5° |
| C22 | O3 | C23 | H28 | 152.2° | 92.9° |
| O3 | C22 | C36 | H47 | 127.1° | 81.1° |
| C8 | C3 | C4 | C5 | 54.6° | 60.0° |
| C8 | C3 | C4 | O1 | 117.9° | 120.0° |
| C8 | C3 | C4 | H | 120.8° | 119.9° |
| C8 | C3 | O1 | H | 118.1° | 120.0° |
| C8 | C3 | O1 | C2 | 174.1° | 90.0° |
| C8 | C3 | C4 | H9 | 174.8° | 60.0° |
| C8 | C3 | C4 | H10 | 65.6° | 180.0° |
| C3 | C8 | C7 | H13 | 175.6° | 180.0° |
| C3 | C8 | C7 | H14 | 64.8° | 60.0° |
| C3 | C8 | H16 | H15 | 119.1° | 120.0° |
| C35 | C36 | O15 | H47 | 123.1° | 123.7° |
| C36 | C35 | C23 | O3 | 27.3° | 2.0° |
| C36 | C35 | C23 | O14 | 124.5° | 118.7° |
| C36 | C35 | C23 | H45 | 114.9° | 118.8° |
| C36 | C35 | O14 | H45 | 122.1° | 122.7° |
| C35 | C36 | C22 | H27 | 127.0° | 81.5° |
| C36 | C35 | C23 | H28 | 145.4° | 117.4° |
| C36 | C35 | O14 | H46 | 180.0° | 65.2° |
| C35 | C36 | O15 | H48 | 65.7° | 67.4° |
| O15 | C36 | C35 | C23 | 128.9° | 139.0° |
| O15 | C36 | C35 | O14 | 7.0° | 20.3° |
| O15 | C36 | C22 | H27 | 8.8° | 36.6° |
| O15 | C36 | C35 | H45 | 116.0° | 102.3° |
| C5 | C4 | C3 | H9 | 120.2° | 120.0° |
| C5 | C4 | C3 | H10 | 120.2° | 120.0° |
| C5 | C4 | C3 | O1 | 172.5° | 180.0° |
| C5 | C4 | C3 | H | 66.2° | 59.9° |
| C5 | C4 | H9 | H10 | 119.4° | 120.0° |
| C4 | C5 | H11 | H12 | 119.1° | 120.0° |
| C4 | C5 | C6 | H1 | 61.3° | 60.0° |
| O3 | C23 | C35 | H28 | 118.1° | 119.4° |
| O3 | C23 | C35 | O14 | 97.2° | 120.7° |
| C23 | O3 | C22 | H27 | 144.5° | 78.5° |
| O3 | C23 | C24 | H29 | 69.2° | 172.9° |
| O3 | C23 | C24 | H30 | 170.9° | 52.9° |
| O3 | C23 | C35 | H45 | 142.2° | 116.8° |
| C23 | C35 | O14 | H45 | 119.7° | 122.5° |
| C35 | C23 | C24 | H29 | 47.3° | 55.0° |
| C35 | C23 | C24 | H30 | 72.6° | 65.0° |
| C23 | C35 | O14 | H46 | 61.8° | 180.0° |
| C23 | C35 | C36 | H47 | 106.9° | 97.3° |
| O14 | C35 | C23 | H28 | 20.9° | 1.3° |
| O14 | C35 | C36 | H47 | 131.1° | 144.0° |
| C4 | C3 | O1 | H | 120.7° | 120.0° |
| C4 | C3 | O1 | C2 | 52.9° | 150.0° |
| C3 | C4 | H9 | H10 | 119.4° | 120.0° |
| C3 | C4 | C5 | H11 | 64.2° | 180.0° |
| C3 | C4 | C5 | H12 | 176.4° | 60.0° |
| C4 | C3 | C8 | H16 | 65.7° | 180.0° |
| C4 | C3 | C8 | H15 | 174.9° | 60.0° |
| C3 | O1 | C2 | C1 | 160.2° | 180.0° |
| C3 | O1 | C2 | H8 | 40.2° | 60.0° |
| C3 | O1 | C2 | H7 | 79.9° | 60.0° |
| O1 | C3 | C4 | H9 | 67.3° | 60.0° |
| O1 | C3 | C4 | H10 | 52.3° | 60.1° |
| O1 | C3 | C8 | H16 | 54.6° | 60.0° |
| O1 | C3 | C8 | H15 | 64.8° | 60.0° |
| O1 | C2 | C1 | H8 | 119.9° | 120.0° |
| O1 | C2 | C1 | H7 | 119.9° | 120.0° |
| O1 | C2 | C1 | O | 57.1° | 65.0° |
| O1 | C2 | C1 | H6 | 176.8° | 175.0° |
| O1 | C2 | C1 | H5 | 62.6° | 55.0° |
| O1 | C2 | H8 | H7 | 120.3° | 120.0° |
| C2 | O1 | C3 | H | 67.8° | 30.0° |
| C2 | C1 | O | H6 | 119.7° | 119.9° |
| C2 | C1 | O | H5 | 119.7° | 120.0° |
| C2 | C1 | O | C | 83.9° | 180.0° |
| C2 | C1 | H6 | H5 | 121.0° | 120.0° |
| C1 | C2 | H8 | H7 | 120.3° | 120.0° |
| O | C1 | H6 | H5 | 120.9° | 120.0° |
| O | C1 | C2 | H8 | 62.9° | 174.9° |
| O | C1 | C2 | H7 | 177.0° | 54.9° |
| C1 | O | C | H4 | 180.0° | 60.1° |
| C1 | O | C | H3 | 60.0° | 59.9° |
| C1 | O | C | H2 | 60.0° | 179.9° |
| C | O | C1 | H6 | 35.8° | 60.1° |
| C | O | C1 | H5 | 156.4° | 60.0° |
| O | C | H4 | H3 | 120.0° | 120.0° |
| O | C | H4 | H2 | 120.0° | 120.0° |
| O | C | H3 | H2 | 120.0° | 120.0° |
| H6 | C1 | C2 | H8 | 56.8° | 55.0° |
| H6 | C1 | C2 | H7 | 63.3° | 65.0° |
| H5 | C1 | C2 | H8 | 177.5° | 65.0° |
| H5 | C1 | C2 | H7 | 57.3° | 175.0° |
| H | C3 | C4 | H9 | 54.0° | 179.9° |
| H | C3 | C4 | H10 | 173.6° | 60.0° |
| H | C3 | C8 | H16 | 173.5° | 60.0° |
| H | C3 | C8 | H15 | 54.1° | 179.9° |
| H9 | C4 | C5 | H11 | 56.0° | 60.0° |
| H9 | C4 | C5 | H12 | 63.4° | NaN° |
| H10 | C4 | C5 | H11 | 175.6° | 60.1° |
| H10 | C4 | C5 | H12 | 56.2° | 59.9° |
| H11 | C5 | C6 | H1 | 178.4° | 60.0° |
| H12 | C5 | C6 | H1 | 59.0° | 180.0° |
| H1 | C6 | N | H17 | 153.6° | 145.1° |
| H1 | C6 | C7 | H13 | 58.3° | 60.0° |
| H1 | C6 | C7 | H14 | 177.8° | 180.0° |
| H19 | C12 | H20 | H21 | 120.0° | 120.0° |
| H23 | C17 | C18 | H24 | 1.8° | 0.0° |
| H27 | C22 | C36 | H47 | 114.8° | 160.3° |
| H28 | C23 | C24 | H29 | 169.5° | 66.0° |
| H28 | C23 | C24 | H30 | 49.6° | 173.9° |
| H28 | C23 | C35 | H45 | 99.7° | 123.8° |
| H35 | C26 | C25 | H34 | 64.6° | 174.6° |
| H35 | C26 | C25 | H33 | 55.7° | 65.5° |
| H35 | C26 | C29 | H39 | 98.4° | 123.9° |
| H36 | C27 | C28 | H37 | 158.2° | 160.2° |
| H37 | C28 | C29 | H39 | 37.2° | 21.4° |
| H37 | C28 | O12 | H38 | 55.3° | 56.4° |
| H39 | C29 | O13 | H40 | 57.1° | 61.1° |
| H45 | C35 | O14 | H46 | 57.9° | 57.5° |
| H45 | C35 | C36 | H47 | 8.1° | 21.4° |
| H47 | C36 | O15 | H48 | 57.4° | 56.3° |
| H13 | C7 | C8 | H16 | 55.3° | 60.0° |
| H13 | C7 | C8 | H15 | 64.1° | 60.0° |
| H14 | C7 | C8 | H16 | 174.9° | 60.1° |
| H14 | C7 | C8 | H15 | 55.4° | 180.0° |
| H4 | C | H3 | H2 | 119.9° | 120.1° |
