BV8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N11 | C47 | sing | 1.38Å | 1.38Å | |
| C47 | N10 | doub | 1.33Å | 1.32Å | Aromatic |
| C47 | C44 | sing | 1.41Å | 1.39Å | Aromatic |
| N10 | C46 | sing | 1.32Å | 1.39Å | Aromatic |
| N8 | C44 | sing | 1.35Å | 1.36Å | Aromatic |
| N8 | C43 | doub | 1.30Å | 1.32Å | Aromatic |
| C44 | C45 | doub | 1.40Å | 1.37Å | Aromatic |
| C46 | N9 | doub | 1.32Å | 1.39Å | Aromatic |
| C43 | N7 | sing | 1.36Å | 1.34Å | Aromatic |
| C45 | N9 | sing | 1.33Å | 1.32Å | Aromatic |
| C45 | N7 | sing | 1.37Å | 1.30Å | Aromatic |
| N7 | C42 | sing | 1.46Å | 1.49Å | |
| C42 | O17 | sing | 1.44Å | 1.55Å | |
| C42 | C41 | sing | 1.54Å | 1.45Å | |
| O17 | C39 | sing | 1.44Å | 1.46Å | |
| C41 | O19 | sing | 1.43Å | 1.39Å | |
| C41 | C40 | sing | 1.55Å | 1.55Å | |
| O5 | C32 | doub | 1.21Å | 1.26Å | |
| C38 | C39 | sing | 1.53Å | 1.55Å | |
| C38 | O16 | sing | 1.43Å | 1.45Å | |
| O6 | C32 | sing | 1.34Å | 1.26Å | |
| C39 | C40 | sing | 1.55Å | 1.58Å | |
| O14 | P2 | doub | 1.48Å | 1.44Å | |
| C32 | C4 | sing | 1.51Å | 1.56Å | |
| C40 | O18 | sing | 1.43Å | 1.44Å | |
| O11 | P1 | doub | 1.48Å | 1.49Å | |
| O13 | P2 | sing | 1.61Å | 1.63Å | |
| O13 | P1 | sing | 1.61Å | 1.61Å | |
| O16 | P2 | sing | 1.61Å | 1.60Å | |
| P2 | O15 | sing | 1.61Å | 1.47Å | |
| C4 | C2 | sing | 1.53Å | 1.51Å | |
| O8 | C34 | sing | 1.43Å | 1.44Å | |
| P1 | O12 | sing | 1.61Å | 1.42Å | |
| P1 | O10 | sing | 1.61Å | 1.60Å | |
| C2 | N6 | sing | 1.46Å | 1.46Å | |
| C34 | C35 | sing | 1.55Å | 1.51Å | |
| C34 | C33 | sing | 1.54Å | 1.53Å | |
| N6 | C5 | sing | 1.37Å | 1.33Å | |
| C37 | O10 | sing | 1.43Å | 1.39Å | |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| C35 | C36 | sing | 1.55Å | 1.54Å | |
| C35 | O9 | sing | 1.43Å | 1.42Å | |
| C33 | O7 | sing | 1.43Å | 1.45Å | |
| C33 | S1 | sing | 1.81Å | 1.76Å | |
| O7 | C36 | sing | 1.44Å | 1.46Å | |
| C5 | S1 | sing | 1.76Å | 1.69Å | |
| C5 | N5 | doub | 1.30Å | 1.30Å | |
| N5 | C31 | sing | 1.46Å | 1.48Å | |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| C30 | C29 | sing | 1.53Å | 1.49Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C28 | C21 | sing | 1.53Å | 1.62Å | |
| C19 | C17 | sing | 1.53Å | 1.52Å | |
| C21 | C20 | sing | 1.51Å | 1.51Å | |
| C21 | N4 | sing | 1.46Å | 1.44Å | |
| C17 | N2 | sing | 1.47Å | 1.45Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| O2 | C20 | doub | 1.21Å | 1.21Å | |
| C20 | N3 | sing | 1.35Å | 1.33Å | |
| N2 | C16 | sing | 1.35Å | 1.31Å | |
| N4 | C1 | sing | 1.35Å | 1.34Å | |
| N3 | C15 | sing | 1.47Å | 1.46Å | |
| O1 | C16 | doub | 1.21Å | 1.23Å | |
| C16 | C15 | sing | 1.51Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.59Å | |
| C1 | O4 | sing | 1.35Å | 1.31Å | |
| C1 | O3 | doub | 1.22Å | 1.23Å | |
| O4 | C3 | sing | 1.45Å | 1.46Å | |
| C14 | C13 | sing | 1.51Å | 1.56Å | |
| C13 | C12 | doub | 1.34Å | 1.33Å | Aromatic |
| C13 | C10 | sing | 1.46Å | 1.37Å | Aromatic |
| C9 | C10 | doub | 1.40Å | 1.35Å | Aromatic |
| C9 | C8 | sing | 1.37Å | 1.44Å | Aromatic |
| C3 | C22 | sing | 1.51Å | 1.43Å | |
| C12 | N1 | sing | 1.37Å | 1.32Å | Aromatic |
| C10 | C11 | sing | 1.41Å | 1.41Å | Aromatic |
| C27 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.36Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
| N1 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C6 | doub | 1.39Å | 1.35Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C7 | H8 | sing | 1.08Å | 1.08Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| N2 | H16 | sing | 0.97Å | 1.00Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| N3 | H24 | sing | 0.97Å | 1.00Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| N4 | H26 | sing | 0.97Å | 1.00Å | |
| C23 | H27 | sing | 1.08Å | 1.08Å | |
| C24 | H28 | sing | 1.08Å | 1.08Å | |
| C25 | H29 | sing | 1.08Å | 1.08Å | |
| C26 | H30 | sing | 1.08Å | 1.08Å | |
| C27 | H31 | sing | 1.08Å | 1.08Å | |
| C28 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C31 | H39 | sing | 1.09Å | 1.10Å | |
| O6 | H41 | sing | 0.97Å | 0.95Å | |
| C33 | H42 | sing | 1.09Å | 1.10Å | |
| C34 | H43 | sing | 1.09Å | 1.10Å | |
| O8 | H44 | sing | 0.97Å | 0.95Å | |
| C35 | H45 | sing | 1.09Å | 1.10Å | |
| O9 | H46 | sing | 0.97Å | 0.95Å | |
| C36 | H47 | sing | 1.09Å | 1.10Å | |
| C37 | H48 | sing | 1.09Å | 1.10Å | |
| C37 | H49 | sing | 1.09Å | 1.10Å | |
| O12 | H50 | sing | 0.97Å | 0.95Å | |
| O15 | H51 | sing | 0.97Å | 0.95Å | |
| C38 | H52 | sing | 1.09Å | 1.10Å | |
| C38 | H53 | sing | 1.09Å | 1.10Å | |
| C39 | H54 | sing | 1.09Å | 1.10Å | |
| C40 | H55 | sing | 1.09Å | 1.10Å | |
| O18 | H56 | sing | 0.97Å | 0.95Å | |
| C41 | H57 | sing | 1.09Å | 1.10Å | |
| O19 | H58 | sing | 0.97Å | 0.95Å | |
| C42 | H59 | sing | 1.09Å | 1.10Å | |
| C43 | H60 | sing | 1.08Å | 1.08Å | |
| C46 | H61 | sing | 1.08Å | 1.08Å | |
| N11 | H62 | sing | 0.97Å | 1.00Å | |
| N11 | H63 | sing | 0.97Å | 1.00Å | |
| N6 | H40 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N11 | C47 | N10 | 120.1° | 120.7° |
| N11 | C47 | C44 | 121.9° | 120.8° |
| C47 | N11 | H62 | 109.5° | 120.0° |
| C47 | N11 | H63 | 109.5° | 120.0° |
| N10 | C47 | C44 | 117.8° | 118.5° |
| C47 | N10 | C46 | 122.8° | 121.2° |
| C47 | C44 | N8 | 133.7° | 134.7° |
| C47 | C44 | C45 | 119.1° | 118.2° |
| N10 | C46 | N9 | 118.3° | 122.5° |
| N10 | C46 | H61 | 120.9° | 118.8° |
| C44 | N8 | C43 | 104.7° | 109.4° |
| N8 | C44 | C45 | 107.2° | 107.2° |
| N8 | C43 | N7 | 112.7° | 110.0° |
| N8 | C43 | H60 | 123.6° | 125.0° |
| C44 | C45 | N9 | 123.1° | 119.1° |
| C44 | C45 | N7 | 109.8° | 106.0° |
| C46 | N9 | C45 | 118.5° | 120.7° |
| N9 | C46 | H61 | 120.8° | 118.8° |
| C43 | N7 | C45 | 105.4° | 107.4° |
| C43 | N7 | C42 | 128.9° | 126.3° |
| N7 | C43 | H60 | 123.6° | 125.0° |
| N9 | C45 | N7 | 127.0° | 134.9° |
| C45 | N7 | C42 | 124.9° | 126.3° |
| N7 | C42 | O17 | 102.8° | 110.4° |
| N7 | C42 | C41 | 118.1° | 110.4° |
| N7 | C42 | H59 | 110.7° | 110.4° |
| O17 | C42 | C41 | 103.1° | 104.8° |
| C42 | O17 | C39 | 106.2° | 105.3° |
| O17 | C42 | H59 | 109.9° | 110.4° |
| C42 | C41 | O19 | 109.4° | 110.5° |
| C42 | C41 | C40 | 105.7° | 104.0° |
| C42 | C41 | H57 | 110.3° | 110.6° |
| C41 | C42 | H59 | 111.3° | 110.4° |
| O17 | C39 | C38 | 108.6° | 110.3° |
| O17 | C39 | C40 | 108.0° | 104.8° |
| O17 | C39 | H54 | 109.1° | 110.5° |
| O19 | C41 | C40 | 111.0° | 110.5° |
| O19 | C41 | H57 | 111.3° | 110.5° |
| C41 | O19 | H58 | 109.5° | 114.0° |
| C41 | C40 | C39 | 100.6° | 104.1° |
| C41 | C40 | O18 | 112.5° | 110.5° |
| C41 | C40 | H55 | 110.9° | 110.6° |
| C40 | C41 | H57 | 108.9° | 110.5° |
| O5 | C32 | O6 | 126.6° | 120.0° |
| O5 | C32 | C4 | 118.9° | 120.0° |
| C39 | C38 | O16 | 105.7° | 109.5° |
| C38 | C39 | C40 | 115.3° | 110.4° |
| C39 | C38 | H52 | 110.4° | 109.5° |
| C39 | C38 | H53 | 110.4° | 109.5° |
| C38 | C39 | H54 | 108.0° | 110.4° |
| C38 | O16 | P2 | 117.4° | 123.0° |
| O16 | C38 | H52 | 110.4° | 109.5° |
| O16 | C38 | H53 | 110.4° | 109.5° |
| O6 | C32 | C4 | 114.5° | 120.0° |
| C32 | O6 | H41 | 109.5° | 117.0° |
| C39 | C40 | O18 | 109.1° | 110.5° |
| C40 | C39 | H54 | 107.8° | 110.4° |
| C39 | C40 | H55 | 110.5° | 110.5° |
| O14 | P2 | O13 | 103.5° | 109.5° |
| O14 | P2 | O16 | 110.6° | 109.5° |
| O14 | P2 | O15 | 124.8° | 109.5° |
| C32 | C4 | C2 | 115.2° | 109.5° |
| C32 | C4 | H5 | 108.0° | 109.5° |
| C32 | C4 | H6 | 108.0° | 109.5° |
| O18 | C40 | H55 | 112.5° | 110.4° |
| C40 | O18 | H56 | 109.5° | 114.0° |
| O11 | P1 | O13 | 104.7° | 109.5° |
| O11 | P1 | O12 | 116.7° | 109.5° |
| O11 | P1 | O10 | 108.7° | 109.5° |
| P2 | O13 | P1 | 130.0° | 134.0° |
| O13 | P2 | O16 | 105.1° | 109.5° |
| O13 | P2 | O15 | 109.2° | 109.5° |
| O13 | P1 | O12 | 116.5° | 109.4° |
| O13 | P1 | O10 | 103.8° | 109.5° |
| O16 | P2 | O15 | 102.3° | 109.5° |
| P2 | O15 | H51 | 109.5° | 114.0° |
| C4 | C2 | N6 | 115.8° | 109.5° |
| C4 | C2 | H1 | 107.9° | 109.5° |
| C4 | C2 | H2 | 107.9° | 109.5° |
| C2 | C4 | H5 | 108.0° | 109.5° |
| C2 | C4 | H6 | 108.0° | 109.4° |
| O8 | C34 | C35 | 113.8° | 110.8° |
| O8 | C34 | C33 | 110.3° | 110.9° |
| O8 | C34 | H43 | 110.5° | 110.9° |
| C34 | O8 | H44 | 109.5° | 114.0° |
| O12 | P1 | O10 | 105.6° | 109.5° |
| P1 | O12 | H50 | 109.5° | 114.1° |
| P1 | O10 | C37 | 121.3° | 123.0° |
| C2 | N6 | C5 | 124.0° | 120.0° |
| N6 | C2 | H1 | 107.9° | 109.4° |
| N6 | C2 | H2 | 107.9° | 109.5° |
| C2 | N6 | H40 | 118.0° | 120.0° |
| C35 | C34 | C33 | 103.2° | 102.2° |
| C34 | C35 | C36 | 100.8° | 101.0° |
| C34 | C35 | O9 | 110.8° | 111.1° |
| C35 | C34 | H43 | 109.5° | 110.9° |
| C34 | C35 | H45 | 110.0° | 111.1° |
| C34 | C33 | O7 | 101.2° | 107.6° |
| C34 | C33 | S1 | 119.1° | 109.8° |
| C34 | C33 | H42 | 110.3° | 109.9° |
| C33 | C34 | H43 | 109.2° | 110.9° |
| N6 | C5 | S1 | 120.9° | 120.0° |
| N6 | C5 | N5 | 119.5° | 120.0° |
| C5 | N6 | H40 | 118.0° | 120.0° |
| O10 | C37 | C36 | 104.9° | 109.5° |
| O10 | C37 | H48 | 110.6° | 109.5° |
| O10 | C37 | H49 | 110.6° | 109.5° |
| C37 | C36 | C35 | 111.8° | 110.3° |
| C37 | C36 | O7 | 109.3° | 110.3° |
| C37 | C36 | H47 | 109.6° | 110.3° |
| C36 | C37 | H48 | 110.6° | 109.4° |
| C36 | C37 | H49 | 110.6° | 109.5° |
| C36 | C35 | O9 | 113.6° | 111.2° |
| C35 | C36 | O7 | 105.9° | 105.2° |
| C36 | C35 | H45 | 109.7° | 111.1° |
| C35 | C36 | H47 | 109.6° | 110.3° |
| O9 | C35 | H45 | 111.4° | 111.0° |
| C35 | O9 | H46 | 109.5° | 114.1° |
| O7 | C33 | S1 | 107.0° | 109.8° |
| C33 | O7 | C36 | 110.3° | 109.9° |
| O7 | C33 | H42 | 111.5° | 109.9° |
| C33 | S1 | C5 | 103.5° | 100.0° |
| S1 | C33 | H42 | 107.5° | 109.8° |
| O7 | C36 | H47 | 110.7° | 110.3° |
| S1 | C5 | N5 | 118.4° | 119.9° |
| C5 | N5 | C31 | 124.0° | 120.1° |
| N5 | C31 | C30 | 111.9° | 109.5° |
| N5 | C31 | H38 | 108.9° | 109.4° |
| N5 | C31 | H39 | 108.9° | 109.5° |
| C31 | C30 | C29 | 112.3° | 109.5° |
| C31 | C30 | H36 | 108.8° | 109.5° |
| C31 | C30 | H37 | 108.8° | 109.5° |
| C30 | C31 | H38 | 108.8° | 109.4° |
| C30 | C31 | H39 | 108.9° | 109.5° |
| C30 | C29 | C28 | 109.6° | 109.5° |
| C30 | C29 | H34 | 109.4° | 109.5° |
| C30 | C29 | H35 | 109.4° | 109.5° |
| C29 | C30 | H36 | 108.7° | 109.5° |
| C29 | C30 | H37 | 108.8° | 109.5° |
| C29 | C28 | C21 | 112.4° | 109.5° |
| C29 | C28 | H32 | 108.7° | 109.5° |
| C29 | C28 | H33 | 108.7° | 109.5° |
| C28 | C29 | H34 | 109.4° | 109.5° |
| C28 | C29 | H35 | 109.4° | 109.4° |
| C28 | C21 | C20 | 110.3° | 109.5° |
| C28 | C21 | N4 | 109.5° | 109.5° |
| C28 | C21 | H25 | 108.9° | 109.5° |
| C21 | C28 | H32 | 108.8° | 109.5° |
| C21 | C28 | H33 | 108.7° | 109.4° |
| C19 | C17 | N2 | 104.3° | 109.5° |
| C19 | C17 | C18 | 109.7° | 109.5° |
| C19 | C17 | H17 | 108.7° | 109.5° |
| C17 | C19 | H21 | 109.5° | 109.5° |
| C17 | C19 | H22 | 109.5° | 109.5° |
| C17 | C19 | H23 | 109.4° | 109.4° |
| C20 | C21 | N4 | 106.2° | 109.4° |
| C21 | C20 | O2 | 121.3° | 120.0° |
| C21 | C20 | N3 | 118.8° | 120.0° |
| C20 | C21 | H25 | 110.4° | 109.5° |
| C21 | N4 | C1 | 126.3° | 120.0° |
| N4 | C21 | H25 | 111.5° | 109.5° |
| C21 | N4 | H26 | 116.9° | 120.0° |
| N2 | C17 | C18 | 116.0° | 109.4° |
| C17 | N2 | C16 | 121.3° | 120.0° |
| C17 | N2 | H16 | 119.3° | 120.0° |
| N2 | C17 | H17 | 109.6° | 109.5° |
| C18 | C17 | H17 | 108.3° | 109.4° |
| C17 | C18 | H18 | 109.5° | 109.5° |
| C17 | C18 | H19 | 109.5° | 109.5° |
| C17 | C18 | H20 | 109.5° | 109.5° |
| O2 | C20 | N3 | 119.4° | 120.0° |
| C20 | N3 | C15 | 122.3° | 120.0° |
| C20 | N3 | H24 | 118.8° | 120.1° |
| N2 | C16 | O1 | 123.5° | 120.0° |
| N2 | C16 | C15 | 115.0° | 120.0° |
| C16 | N2 | H16 | 119.3° | 120.0° |
| N4 | C1 | O4 | 114.6° | 120.0° |
| N4 | C1 | O3 | 121.2° | 120.0° |
| C1 | N4 | H26 | 116.9° | 119.9° |
| N3 | C15 | C16 | 110.9° | 109.5° |
| N3 | C15 | C14 | 109.4° | 109.5° |
| N3 | C15 | H15 | 110.3° | 109.4° |
| C15 | N3 | H24 | 118.9° | 120.0° |
| O1 | C16 | C15 | 121.4° | 120.0° |
| C16 | C15 | C14 | 108.0° | 109.5° |
| C16 | C15 | H15 | 109.5° | 109.5° |
| C15 | C14 | C13 | 114.7° | 109.5° |
| C15 | C14 | H13 | 108.1° | 109.5° |
| C15 | C14 | H14 | 108.1° | 109.5° |
| C14 | C15 | H15 | 108.7° | 109.5° |
| O4 | C1 | O3 | 124.1° | 120.0° |
| C1 | O4 | C3 | 113.1° | 117.0° |
| O4 | C3 | C22 | 110.2° | 109.5° |
| O4 | C3 | H3 | 109.3° | 109.5° |
| O4 | C3 | H4 | 109.3° | 109.5° |
| C14 | C13 | C12 | 119.2° | 126.5° |
| C14 | C13 | C10 | 131.2° | 126.4° |
| C13 | C14 | H13 | 108.1° | 109.4° |
| C13 | C14 | H14 | 108.1° | 109.5° |
| C12 | C13 | C10 | 109.6° | 107.0° |
| C13 | C12 | N1 | 109.7° | 109.9° |
| C13 | C12 | H12 | 125.1° | 125.1° |
| C13 | C10 | C9 | 133.5° | 134.1° |
| C13 | C10 | C11 | 105.4° | 106.0° |
| C10 | C9 | C8 | 118.8° | 119.8° |
| C9 | C10 | C11 | 121.1° | 119.9° |
| C10 | C9 | H10 | 120.6° | 120.1° |
| C9 | C8 | C7 | 118.1° | 120.5° |
| C9 | C8 | H9 | 121.0° | 119.8° |
| C8 | C9 | H10 | 120.6° | 120.1° |
| C3 | C22 | C27 | 122.7° | 120.0° |
| C3 | C22 | C23 | 119.3° | 120.0° |
| C22 | C3 | H3 | 109.3° | 109.5° |
| C22 | C3 | H4 | 109.3° | 109.4° |
| C12 | N1 | C11 | 108.7° | 109.9° |
| C12 | N1 | H11 | 125.7° | 125.1° |
| N1 | C12 | H12 | 125.1° | 125.0° |
| C10 | C11 | N1 | 106.6° | 107.1° |
| C10 | C11 | C6 | 120.8° | 119.4° |
| C22 | C27 | C26 | 119.9° | 120.0° |
| C27 | C22 | C23 | 118.1° | 120.0° |
| C22 | C27 | H31 | 120.1° | 120.0° |
| C27 | C26 | C25 | 121.2° | 120.1° |
| C27 | C26 | H30 | 119.4° | 120.0° |
| C26 | C27 | H31 | 120.1° | 120.0° |
| C22 | C23 | C24 | 123.3° | 120.0° |
| C22 | C23 | H27 | 118.4° | 120.0° |
| C8 | C7 | C6 | 121.3° | 120.7° |
| C8 | C7 | H8 | 119.4° | 119.6° |
| C7 | C8 | H9 | 121.0° | 119.8° |
| N1 | C11 | C6 | 132.6° | 133.5° |
| C11 | N1 | H11 | 125.7° | 125.1° |
| C26 | C25 | C24 | 118.2° | 119.9° |
| C26 | C25 | H29 | 120.9° | 120.1° |
| C25 | C26 | H30 | 119.4° | 119.9° |
| C11 | C6 | C7 | 120.0° | 119.8° |
| C11 | C6 | H7 | 120.0° | 120.1° |
| C23 | C24 | C25 | 119.4° | 120.0° |
| C24 | C23 | H27 | 118.4° | 120.0° |
| C23 | C24 | H28 | 120.3° | 120.0° |
| C25 | C24 | H28 | 120.3° | 120.0° |
| C24 | C25 | H29 | 120.9° | 120.0° |
| C7 | C6 | H7 | 120.0° | 120.1° |
| C6 | C7 | H8 | 119.4° | 119.7° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H3 | C3 | H4 | 109.5° | 109.4° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.5° |
| H18 | C18 | H19 | 109.5° | 109.5° |
| H18 | C18 | H20 | 109.5° | 109.4° |
| H19 | C18 | H20 | 109.5° | 109.4° |
| H21 | C19 | H22 | 109.4° | 109.5° |
| H21 | C19 | H23 | 109.4° | 109.4° |
| H22 | C19 | H23 | 109.5° | 109.5° |
| H32 | C28 | H33 | 109.5° | 109.4° |
| H34 | C29 | H35 | 109.5° | 109.5° |
| H36 | C30 | H37 | 109.5° | 109.4° |
| H38 | C31 | H39 | 109.5° | 109.5° |
| H48 | C37 | H49 | 109.5° | 109.4° |
| H52 | C38 | H53 | 109.5° | 109.4° |
| H62 | N11 | H63 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N11 | C47 | N10 | C44 | 175.0° | 179.6° |
| N11 | C47 | N10 | C46 | 177.7° | 179.9° |
| N11 | C47 | C44 | N8 | 1.5° | 0.3° |
| N11 | C47 | C44 | C45 | 178.7° | 180.0° |
| C47 | N11 | H62 | H63 | 120.0° | 179.9° |
| N10 | C47 | C44 | N8 | 176.4° | 179.9° |
| N10 | C47 | C44 | C45 | 6.4° | 0.4° |
| C47 | N10 | C46 | N9 | 4.9° | 0.1° |
| C47 | N10 | C46 | H61 | 175.1° | 179.8° |
| N10 | C47 | N11 | H62 | 0.0° | 0.0° |
| N10 | C47 | N11 | H63 | 120.0° | 180.0° |
| C44 | C47 | N10 | C46 | 7.3° | 0.3° |
| C47 | C44 | N8 | C45 | 177.4° | 179.8° |
| C47 | C44 | N8 | C43 | 178.3° | 180.0° |
| C47 | C44 | C45 | N9 | 3.4° | 0.2° |
| C47 | C44 | C45 | N7 | 177.8° | 179.8° |
| C44 | C47 | N11 | H62 | 174.8° | 179.6° |
| C44 | C47 | N11 | H63 | 54.8° | 0.4° |
| N10 | C46 | N9 | H61 | 180.0° | 179.9° |
| N10 | C46 | N9 | C45 | 1.5° | 0.0° |
| C44 | N8 | C43 | N7 | 1.5° | 0.0° |
| N8 | C44 | C45 | N9 | 178.8° | 180.0° |
| N8 | C44 | C45 | N7 | 0.0° | 0.4° |
| C44 | N8 | C43 | H60 | 178.5° | 180.0° |
| C43 | N8 | C44 | C45 | 0.9° | 0.2° |
| N8 | C43 | N7 | H60 | 180.0° | 180.0° |
| N8 | C43 | N7 | C45 | 1.6° | 0.3° |
| N8 | C43 | N7 | C42 | 172.1° | 180.0° |
| C44 | C45 | N9 | C46 | 0.9° | 0.0° |
| C44 | C45 | N7 | C43 | 0.9° | 0.4° |
| C44 | C45 | N9 | N7 | 178.5° | 179.5° |
| C44 | C45 | N7 | C42 | 171.9° | 179.9° |
| C46 | N9 | C45 | N7 | 179.5° | 179.5° |
| C43 | N7 | C45 | N9 | 177.8° | 179.9° |
| C43 | N7 | C45 | C42 | 171.0° | 179.7° |
| C43 | N7 | C42 | O17 | 77.1° | 23.6° |
| C43 | N7 | C42 | C41 | 35.6° | 91.8° |
| C43 | N7 | C42 | H59 | 165.6° | 145.8° |
| N9 | C45 | N7 | C42 | 6.8° | 0.4° |
| C45 | N9 | C46 | H61 | 178.5° | 179.9° |
| C45 | N7 | C42 | O17 | 91.8° | 156.8° |
| C45 | N7 | C42 | C41 | 155.6° | 87.9° |
| C45 | N7 | C42 | H59 | 25.6° | 34.5° |
| C45 | N7 | C43 | H60 | 178.4° | 179.8° |
| N7 | C42 | O17 | C41 | 123.3° | 118.8° |
| N7 | C42 | O17 | H59 | 117.9° | 122.3° |
| N7 | C42 | C41 | H59 | 129.7° | 122.3° |
| N7 | C42 | O17 | C39 | 154.2° | 159.4° |
| N7 | C42 | C41 | O19 | 86.7° | 98.6° |
| N7 | C42 | C41 | C40 | 153.6° | 142.8° |
| N7 | C42 | C41 | H57 | 36.0° | 24.1° |
| C42 | N7 | C43 | H60 | 7.9° | 0.0° |
| O17 | C42 | C41 | H59 | 117.8° | 118.8° |
| O17 | C42 | C41 | O19 | 160.8° | 142.6° |
| O17 | C42 | C41 | C40 | 41.1° | 24.0° |
| C42 | O17 | C39 | C38 | 134.3° | 159.3° |
| C42 | O17 | C39 | C40 | 8.6° | 40.5° |
| C42 | O17 | C39 | H54 | 108.3° | 78.3° |
| O17 | C42 | C41 | H57 | 76.5° | 94.7° |
| C41 | C42 | O17 | C39 | 30.9° | 40.5° |
| C42 | C41 | O19 | C40 | 116.3° | 114.6° |
| C42 | C41 | O19 | H57 | 122.1° | 122.7° |
| C42 | C41 | C40 | H57 | 118.6° | 118.7° |
| C42 | C41 | C40 | C39 | 35.1° | 0.0° |
| C42 | C41 | C40 | O18 | 80.9° | 118.6° |
| C42 | C41 | C40 | H55 | 152.1° | 118.7° |
| C42 | C41 | O19 | H58 | 180.0° | 176.1° |
| O17 | C39 | C40 | C41 | 15.1° | 24.0° |
| O17 | C39 | C38 | C40 | 121.3° | 115.3° |
| O17 | C39 | C38 | H54 | 118.2° | 122.4° |
| O17 | C39 | C38 | O16 | 179.9° | 69.7° |
| O17 | C39 | C40 | H54 | 117.8° | 118.9° |
| O17 | C39 | C40 | O18 | 103.3° | 142.6° |
| O17 | C39 | C38 | H52 | 60.7° | 50.4° |
| O17 | C39 | C38 | H53 | 60.4° | 170.4° |
| O17 | C39 | C40 | H55 | 132.4° | 94.8° |
| C39 | O17 | C42 | H59 | 87.9° | 78.3° |
| O19 | C41 | C40 | H57 | 122.9° | 122.6° |
| O19 | C41 | C40 | C39 | 153.6° | 118.6° |
| O19 | C41 | C40 | O18 | 37.6° | 0.0° |
| O19 | C41 | C40 | H55 | 89.4° | 122.6° |
| O19 | C41 | C42 | H59 | 43.0° | 23.8° |
| C41 | C40 | C39 | C38 | 106.5° | 142.8° |
| C41 | C40 | C39 | O18 | 118.5° | 118.6° |
| C41 | C40 | C39 | H55 | 117.2° | 118.8° |
| C41 | C40 | O18 | H55 | 126.1° | 122.7° |
| C41 | C40 | C39 | H54 | 132.9° | 94.9° |
| C41 | C40 | O18 | H56 | 180.0° | 65.3° |
| C40 | C41 | O19 | H58 | 63.7° | 61.4° |
| C40 | C41 | C42 | H59 | 76.7° | 94.9° |
| O5 | C32 | O6 | C4 | 176.5° | 179.9° |
| O5 | C32 | C4 | C2 | 11.0° | 0.0° |
| O5 | C32 | C4 | H5 | 109.9° | 120.0° |
| O5 | C32 | C4 | H6 | 131.8° | 119.9° |
| O5 | C32 | O6 | H41 | 0.0° | 0.0° |
| C39 | C38 | O16 | H52 | 119.4° | 120.1° |
| C39 | C38 | O16 | H53 | 119.4° | 120.0° |
| C38 | C39 | C40 | H54 | 120.7° | 122.3° |
| C38 | C39 | C40 | O18 | 135.1° | 98.6° |
| C39 | C38 | O16 | P2 | 169.6° | 180.0° |
| C39 | C38 | H52 | H53 | 121.8° | 120.0° |
| C38 | C39 | C40 | H55 | 10.8° | 24.0° |
| O16 | C38 | C39 | C40 | 58.8° | 175.0° |
| C38 | O16 | P2 | O14 | 47.0° | 55.0° |
| C38 | O16 | P2 | O13 | 64.1° | 175.0° |
| C38 | O16 | P2 | O15 | 178.1° | 65.0° |
| O16 | C38 | H52 | H53 | 121.8° | 120.0° |
| O16 | C38 | C39 | H54 | 61.7° | 52.7° |
| O6 | C32 | C4 | C2 | 172.2° | 180.0° |
| O6 | C32 | C4 | H5 | 66.9° | 60.0° |
| O6 | C32 | C4 | H6 | 51.4° | 60.0° |
| C39 | C40 | O18 | H55 | 123.1° | 122.6° |
| C40 | C39 | C38 | H52 | 60.5° | 65.0° |
| C40 | C39 | C38 | H53 | 178.3° | 55.0° |
| C39 | C40 | O18 | H56 | 69.2° | 180.0° |
| C39 | C40 | C41 | H57 | 83.5° | 118.8° |
| O14 | P2 | O13 | O16 | 116.0° | 120.0° |
| O14 | P2 | O13 | O15 | 134.9° | 120.0° |
| O14 | P2 | O13 | P1 | 169.3° | 40.0° |
| O14 | P2 | O16 | O15 | 134.9° | 120.0° |
| O14 | P2 | O15 | H51 | 0.0° | 180.0° |
| C32 | C4 | C2 | H5 | 120.9° | 120.0° |
| C32 | C4 | C2 | H6 | 120.8° | 120.0° |
| C32 | C4 | C2 | N6 | 73.6° | 180.0° |
| C32 | C4 | C2 | H1 | 165.4° | 60.0° |
| C32 | C4 | C2 | H2 | 47.3° | 60.0° |
| C32 | C4 | H5 | H6 | 117.4° | 120.0° |
| C4 | C32 | O6 | H41 | 176.5° | 180.0° |
| O18 | C40 | C39 | H54 | 14.4° | 23.7° |
| O18 | C40 | C41 | H57 | 160.5° | 122.6° |
| O11 | P1 | O13 | P2 | 178.1° | 40.0° |
| O11 | P1 | O13 | O12 | 130.5° | 120.0° |
| O11 | P1 | O13 | O10 | 113.9° | 120.0° |
| O11 | P1 | O12 | O10 | 120.8° | 120.0° |
| O11 | P1 | O10 | C37 | 57.1° | 55.0° |
| O11 | P1 | O12 | H50 | 0.0° | 180.0° |
| O13 | P2 | O16 | O15 | 114.0° | 120.0° |
| P2 | O13 | P1 | O12 | 47.7° | 80.0° |
| P2 | O13 | P1 | O10 | 68.0° | 160.0° |
| O13 | P2 | O15 | H51 | 122.9° | 60.0° |
| P1 | O13 | P2 | O16 | 74.7° | 160.0° |
| P1 | O13 | P2 | O15 | 34.4° | 80.0° |
| O13 | P1 | O12 | O10 | 114.6° | 120.0° |
| O13 | P1 | O10 | C37 | 53.9° | 175.0° |
| O13 | P1 | O12 | H50 | 124.6° | 60.0° |
| O16 | P2 | O15 | H51 | 126.1° | 60.0° |
| P2 | O16 | C38 | H52 | 71.0° | 60.0° |
| P2 | O16 | C38 | H53 | 50.2° | 60.0° |
| C4 | C2 | N6 | H1 | 120.9° | 120.0° |
| C4 | C2 | N6 | H2 | 120.9° | 120.0° |
| C4 | C2 | N6 | C5 | 81.6° | 180.0° |
| C4 | C2 | H1 | H2 | 117.1° | 120.0° |
| C2 | C4 | H5 | H6 | 117.4° | 120.0° |
| C4 | C2 | N6 | H40 | 98.3° | 0.0° |
| O8 | C34 | C35 | C33 | 119.5° | 118.2° |
| O8 | C34 | C35 | H43 | 124.2° | 123.6° |
| O8 | C34 | C33 | H43 | 121.6° | 123.6° |
| O8 | C34 | C35 | C36 | 160.0° | 84.1° |
| O8 | C34 | C35 | O9 | 39.3° | 33.9° |
| O8 | C34 | C33 | O7 | 163.5° | 96.8° |
| O8 | C34 | C33 | S1 | 46.6° | 22.7° |
| O8 | C34 | C33 | H42 | 78.4° | 143.6° |
| O8 | C34 | C35 | H45 | 84.3° | 158.0° |
| O12 | P1 | O10 | C37 | 177.0° | 65.0° |
| P1 | O10 | C37 | C36 | 129.9° | 180.0° |
| P1 | O10 | C37 | H48 | 110.9° | 60.0° |
| P1 | O10 | C37 | H49 | 10.6° | 60.0° |
| O10 | P1 | O12 | H50 | 120.8° | 60.0° |
| C2 | N6 | C5 | H40 | 180.0° | 180.0° |
| C2 | N6 | C5 | S1 | 174.6° | 180.0° |
| C2 | N6 | C5 | N5 | 7.4° | 0.0° |
| N6 | C2 | H1 | H2 | 117.1° | 120.0° |
| N6 | C2 | C4 | H5 | 47.2° | 60.0° |
| N6 | C2 | C4 | H6 | 165.5° | 60.0° |
| C35 | C34 | C33 | H43 | 116.5° | 118.2° |
| C34 | C35 | C36 | C37 | 94.2° | 155.3° |
| C34 | C35 | C36 | O9 | 118.6° | 117.9° |
| C34 | C35 | C36 | H45 | 116.0° | 117.9° |
| C34 | C35 | O9 | H45 | 122.9° | 124.2° |
| C35 | C34 | C33 | O7 | 41.6° | 21.4° |
| C35 | C34 | C33 | S1 | 75.3° | 140.9° |
| C34 | C35 | C36 | O7 | 24.7° | 36.4° |
| C35 | C34 | C33 | H42 | 159.7° | 98.3° |
| C35 | C34 | O8 | H44 | 180.0° | 180.0° |
| C34 | C35 | O9 | H46 | 180.0° | 61.4° |
| C34 | C35 | C36 | H47 | 144.1° | 82.5° |
| C33 | C34 | C35 | C36 | 40.4° | 34.1° |
| C33 | C34 | C35 | O9 | 80.2° | 152.1° |
| C34 | C33 | O7 | S1 | 125.4° | 119.5° |
| C34 | C33 | O7 | H42 | 117.3° | 119.6° |
| C34 | C33 | S1 | H42 | 126.3° | 120.9° |
| C34 | C33 | O7 | C36 | 26.2° | 1.7° |
| C34 | C33 | S1 | C5 | 95.8° | 168.3° |
| C33 | C34 | O8 | H44 | 64.6° | 67.2° |
| C33 | C34 | C35 | H45 | 156.2° | 83.8° |
| N6 | C5 | S1 | C33 | 25.5° | 1.9° |
| N6 | C5 | S1 | N5 | 167.4° | 180.0° |
| N6 | C5 | N5 | C31 | 174.3° | 175.1° |
| C5 | N6 | C2 | H1 | 39.3° | 60.0° |
| C5 | N6 | C2 | H2 | 157.4° | 60.0° |
| O10 | C37 | C36 | H48 | 119.3° | 120.0° |
| O10 | C37 | C36 | H49 | 119.3° | 120.0° |
| O10 | C37 | C36 | C35 | 72.0° | 177.8° |
| O10 | C37 | C36 | O7 | 171.2° | 66.4° |
| O10 | C37 | C36 | H47 | 49.7° | 55.6° |
| O10 | C37 | H48 | H49 | 122.1° | 120.0° |
| C37 | C36 | C35 | O7 | 118.9° | 118.9° |
| C37 | C36 | C35 | H47 | 121.7° | 122.2° |
| C37 | C36 | C35 | O9 | 147.2° | 86.7° |
| C37 | C36 | O7 | C33 | 121.7° | 143.3° |
| C37 | C36 | O7 | H47 | 120.8° | 122.1° |
| C37 | C36 | C35 | H45 | 21.8° | 37.4° |
| C36 | C37 | H48 | H49 | 122.1° | 120.0° |
| C36 | C35 | O9 | H45 | 124.4° | 124.2° |
| C35 | C36 | O7 | C33 | 1.2° | 24.4° |
| C35 | C36 | O7 | H47 | 118.7° | 118.9° |
| C36 | C35 | C34 | H43 | 75.8° | 152.3° |
| C36 | C35 | O9 | H46 | 67.3° | 173.0° |
| C35 | C36 | C37 | H48 | 168.8° | 57.8° |
| C35 | C36 | C37 | H49 | 47.3° | 62.1° |
| O9 | C35 | C36 | O7 | 94.0° | 154.3° |
| O9 | C35 | C34 | H43 | 163.6° | 89.7° |
| O9 | C35 | C36 | H47 | 25.5° | 35.4° |
| O7 | C33 | S1 | H42 | 119.9° | 120.9° |
| O7 | C33 | S1 | C5 | 150.4° | 73.5° |
| O7 | C33 | C34 | H43 | 74.9° | 139.6° |
| C33 | O7 | C36 | H47 | 117.5° | 94.6° |
| S1 | C33 | O7 | C36 | 99.2° | 117.9° |
| C33 | S1 | C5 | N5 | 167.1° | 178.0° |
| S1 | C33 | C34 | H43 | 168.3° | 100.9° |
| C36 | O7 | C33 | H42 | 143.5° | 121.3° |
| O7 | C36 | C35 | H45 | 140.7° | 81.5° |
| O7 | C36 | C37 | H48 | 51.9° | 173.6° |
| O7 | C36 | C37 | H49 | 69.6° | 53.6° |
| S1 | C5 | N5 | C31 | 6.7° | 4.9° |
| C5 | S1 | C33 | H42 | 30.5° | 47.4° |
| S1 | C5 | N6 | H40 | 5.4° | 0.0° |
| C5 | N5 | C31 | C30 | 79.9° | 115.5° |
| C5 | N5 | C31 | H38 | 40.4° | 4.4° |
| C5 | N5 | C31 | H39 | 159.7° | 124.4° |
| N5 | C5 | N6 | H40 | 172.7° | 180.0° |
| N5 | C31 | C30 | H38 | 120.4° | 120.0° |
| N5 | C31 | C30 | H39 | 120.4° | 120.1° |
| N5 | C31 | C30 | C29 | 170.3° | 180.0° |
| N5 | C31 | C30 | H36 | 69.3° | 60.0° |
| N5 | C31 | C30 | H37 | 49.8° | 59.9° |
| N5 | C31 | H38 | H39 | 118.9° | 120.0° |
| C31 | C30 | C29 | H36 | 120.4° | 120.0° |
| C31 | C30 | C29 | H37 | 120.4° | 120.1° |
| C31 | C30 | C29 | C28 | 80.7° | 180.0° |
| C31 | C30 | C29 | H34 | 159.3° | 60.0° |
| C31 | C30 | C29 | H35 | 39.3° | 60.0° |
| C31 | C30 | H36 | H37 | 118.7° | 120.0° |
| C30 | C31 | H38 | H39 | 118.9° | 120.0° |
| C30 | C29 | C28 | H34 | 120.0° | 120.0° |
| C30 | C29 | C28 | H35 | 120.0° | 120.0° |
| C30 | C29 | C28 | C21 | 175.0° | 180.0° |
| C30 | C29 | C28 | H32 | 64.5° | 60.0° |
| C30 | C29 | C28 | H33 | 54.6° | 60.0° |
| C30 | C29 | H34 | H35 | 119.9° | 120.0° |
| C29 | C30 | H36 | H37 | 118.7° | 119.9° |
| C29 | C30 | C31 | H38 | 49.9° | 60.0° |
| C29 | C30 | C31 | H39 | 69.3° | 59.9° |
| C29 | C28 | C21 | H32 | 120.5° | 120.1° |
| C29 | C28 | C21 | H33 | 120.4° | 120.0° |
| C29 | C28 | C21 | C20 | 68.8° | 175.0° |
| C29 | C28 | C21 | N4 | 174.7° | 65.0° |
| C29 | C28 | C21 | H25 | 52.5° | 55.0° |
| C29 | C28 | H32 | H33 | 118.7° | 120.0° |
| C28 | C29 | H34 | H35 | 119.9° | 120.0° |
| C28 | C29 | C30 | H36 | 39.7° | 59.9° |
| C28 | C29 | C30 | H37 | 158.9° | 60.0° |
| C28 | C21 | C20 | N4 | 118.6° | 120.0° |
| C28 | C21 | C20 | H25 | 120.4° | 120.0° |
| C28 | C21 | N4 | H25 | 120.7° | 120.0° |
| C28 | C21 | C20 | O2 | 63.8° | 100.0° |
| C28 | C21 | C20 | N3 | 107.4° | 80.0° |
| C28 | C21 | N4 | C1 | 168.2° | 60.0° |
| C28 | C21 | N4 | H26 | 11.8° | 120.0° |
| C21 | C28 | H32 | H33 | 118.7° | 119.9° |
| C21 | C28 | C29 | H34 | 55.0° | 60.0° |
| C21 | C28 | C29 | H35 | 65.0° | 60.0° |
| C19 | C17 | N2 | C18 | 120.8° | 120.0° |
| C19 | C17 | N2 | H17 | 116.2° | 120.1° |
| C19 | C17 | C18 | H17 | 118.5° | 120.0° |
| C19 | C17 | N2 | C16 | 141.1° | 85.0° |
| C19 | C17 | N2 | H16 | 38.9° | 95.0° |
| C19 | C17 | C18 | H18 | 180.0° | 60.0° |
| C19 | C17 | C18 | H19 | 60.0° | 60.0° |
| C19 | C17 | C18 | H20 | 60.0° | 180.0° |
| C17 | C19 | H21 | H22 | 120.0° | 120.0° |
| C17 | C19 | H21 | H23 | 120.0° | 119.9° |
| C17 | C19 | H22 | H23 | 120.0° | 120.0° |
| C20 | C21 | N4 | H25 | 120.2° | 120.0° |
| C21 | C20 | O2 | N3 | 171.2° | 179.9° |
| C20 | C21 | N4 | C1 | 49.1° | 60.0° |
| C21 | C20 | N3 | C15 | 173.3° | 180.0° |
| C21 | C20 | N3 | H24 | 6.7° | 0.1° |
| C20 | C21 | N4 | H26 | 130.9° | 120.0° |
| C20 | C21 | C28 | H32 | 51.6° | 64.9° |
| C20 | C21 | C28 | H33 | 170.8° | 55.0° |
| N4 | C21 | C20 | O2 | 54.8° | 20.0° |
| N4 | C21 | C20 | N3 | 134.0° | 160.0° |
| C21 | N4 | C1 | H26 | 180.0° | 179.9° |
| C21 | N4 | C1 | O4 | 178.3° | 180.0° |
| C21 | N4 | C1 | O3 | 2.0° | 0.2° |
| N4 | C21 | C28 | H32 | 64.9° | 55.0° |
| N4 | C21 | C28 | H33 | 54.3° | 175.0° |
| N2 | C17 | C18 | H17 | 123.6° | 120.0° |
| C17 | N2 | C16 | H16 | 180.0° | 180.0° |
| C17 | N2 | C16 | O1 | 4.8° | 0.1° |
| C17 | N2 | C16 | C15 | 179.4° | 180.0° |
| N2 | C17 | C18 | H18 | 62.1° | 60.0° |
| N2 | C17 | C18 | H19 | 177.9° | 180.0° |
| N2 | C17 | C18 | H20 | 57.9° | 60.0° |
| N2 | C17 | C19 | H21 | 180.0° | 60.0° |
| N2 | C17 | C19 | H22 | 60.0° | 180.0° |
| N2 | C17 | C19 | H23 | 60.0° | 59.9° |
| C18 | C17 | N2 | C16 | 98.1° | 155.0° |
| C18 | C17 | N2 | H16 | 81.9° | 25.0° |
| C17 | C18 | H18 | H19 | 120.0° | 120.0° |
| C17 | C18 | H18 | H20 | 120.0° | 120.0° |
| C17 | C18 | H19 | H20 | 120.0° | 120.0° |
| C18 | C17 | C19 | H21 | 55.1° | 180.0° |
| C18 | C17 | C19 | H22 | 175.1° | 60.0° |
| C18 | C17 | C19 | H23 | 64.9° | 60.0° |
| O2 | C20 | N3 | C15 | 15.3° | 0.0° |
| O2 | C20 | N3 | H24 | 164.7° | 180.0° |
| O2 | C20 | C21 | H25 | 175.8° | 140.0° |
| C20 | N3 | C15 | H24 | 180.0° | 179.9° |
| C20 | N3 | C15 | C16 | 151.1° | 85.0° |
| C20 | N3 | C15 | C14 | 89.9° | 155.0° |
| C20 | N3 | C15 | H15 | 29.6° | 35.0° |
| N3 | C20 | C21 | H25 | 13.0° | 40.0° |
| N2 | C16 | C15 | N3 | 144.6° | 180.0° |
| N2 | C16 | O1 | C15 | 175.6° | 180.0° |
| N2 | C16 | C15 | C14 | 95.6° | 60.0° |
| N2 | C16 | C15 | H15 | 22.6° | 60.0° |
| C16 | N2 | C17 | H17 | 24.9° | 35.1° |
| N4 | C1 | O4 | O3 | 176.2° | 179.8° |
| N4 | C1 | O4 | C3 | 169.7° | 179.7° |
| C1 | N4 | C21 | H25 | 71.1° | 180.0° |
| N3 | C15 | C16 | O1 | 39.5° | 0.0° |
| N3 | C15 | C16 | C14 | 119.9° | 120.0° |
| N3 | C15 | C16 | H15 | 122.0° | 120.0° |
| N3 | C15 | C14 | H15 | 120.5° | 120.0° |
| N3 | C15 | C14 | C13 | 168.7° | 65.0° |
| N3 | C15 | C14 | H13 | 70.6° | 175.0° |
| N3 | C15 | C14 | H14 | 47.9° | 55.0° |
| O1 | C16 | C15 | C14 | 80.3° | 120.0° |
| O1 | C16 | C15 | H15 | 161.5° | 120.0° |
| O1 | C16 | N2 | H16 | 175.2° | 180.0° |
| C16 | C15 | C14 | H15 | 118.7° | 120.0° |
| C16 | C15 | C14 | C13 | 47.9° | 175.0° |
| C16 | C15 | C14 | H13 | 168.6° | 55.0° |
| C16 | C15 | C14 | H14 | 72.9° | 65.0° |
| C15 | C16 | N2 | H16 | 0.6° | 0.0° |
| C16 | C15 | N3 | H24 | 28.9° | 95.0° |
| C15 | C14 | C13 | H13 | 120.7° | 120.0° |
| C15 | C14 | C13 | H14 | 120.7° | 120.0° |
| C15 | C14 | C13 | C12 | 91.7° | 95.0° |
| C15 | C14 | C13 | C10 | 88.8° | 85.4° |
| C15 | C14 | H13 | H14 | 117.6° | 120.0° |
| C14 | C15 | N3 | H24 | 90.1° | 25.0° |
| C1 | O4 | C3 | C22 | 150.7° | 180.0° |
| C1 | O4 | C3 | H3 | 30.6° | 60.0° |
| C1 | O4 | C3 | H4 | 89.2° | 60.0° |
| O4 | C1 | N4 | H26 | 1.7° | 0.0° |
| O3 | C1 | O4 | C3 | 14.2° | 0.0° |
| O3 | C1 | N4 | H26 | 178.0° | 179.7° |
| O4 | C3 | C22 | H3 | 120.1° | 120.0° |
| O4 | C3 | C22 | H4 | 120.1° | 120.0° |
| O4 | C3 | C22 | C27 | 75.4° | 90.3° |
| O4 | C3 | C22 | C23 | 103.0° | 90.0° |
| O4 | C3 | H3 | H4 | 119.7° | 120.0° |
| C14 | C13 | C12 | C10 | 179.6° | 179.6° |
| C14 | C13 | C10 | C9 | 1.0° | 0.3° |
| C14 | C13 | C12 | N1 | 179.9° | 180.0° |
| C14 | C13 | C10 | C11 | 179.8° | 180.0° |
| C14 | C13 | C12 | H12 | 0.1° | 0.2° |
| C13 | C14 | H13 | H14 | 117.6° | 120.0° |
| C13 | C14 | C15 | H15 | 70.9° | 55.0° |
| C12 | C13 | C10 | C9 | 179.4° | 180.0° |
| C13 | C12 | N1 | H12 | 180.0° | 179.8° |
| C12 | C13 | C10 | C11 | 0.3° | 0.3° |
| C13 | C12 | N1 | C11 | 0.5° | 0.2° |
| C13 | C12 | N1 | H11 | 179.5° | 179.8° |
| C12 | C13 | C14 | H13 | 29.1° | 24.9° |
| C12 | C13 | C14 | H14 | 147.6° | 144.9° |
| C13 | C10 | C9 | C11 | 179.0° | 179.7° |
| C13 | C10 | C9 | C8 | 179.0° | 180.0° |
| C10 | C13 | C12 | N1 | 0.5° | 0.4° |
| C13 | C10 | C11 | N1 | 0.0° | 0.2° |
| C13 | C10 | C11 | C6 | 178.7° | 179.7° |
| C13 | C10 | C9 | H10 | 1.0° | 0.3° |
| C10 | C13 | C12 | H12 | 179.5° | 179.9° |
| C10 | C13 | C14 | H13 | 150.4° | 154.6° |
| C10 | C13 | C14 | H14 | 31.9° | 34.6° |
| C10 | C9 | C8 | H10 | 180.0° | 179.7° |
| C10 | C9 | C8 | C7 | 1.6° | 0.1° |
| C9 | C10 | C11 | N1 | 179.2° | 180.0° |
| C9 | C10 | C11 | C6 | 2.0° | 0.5° |
| C10 | C9 | C8 | H9 | 178.3° | 180.0° |
| C8 | C9 | C10 | C11 | 2.0° | 0.3° |
| C9 | C8 | C7 | H9 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 1.3° | 0.0° |
| C9 | C8 | C7 | H8 | 178.7° | 180.0° |
| C3 | C22 | C27 | C23 | 178.4° | 179.7° |
| C3 | C22 | C27 | C26 | 179.2° | 179.7° |
| C3 | C22 | C23 | C24 | 178.7° | 180.0° |
| C22 | C3 | H3 | H4 | 119.7° | 120.0° |
| C3 | C22 | C23 | H27 | 1.2° | 0.0° |
| C3 | C22 | C27 | H31 | 0.9° | 0.0° |
| C12 | N1 | C11 | C10 | 0.3° | 0.0° |
| C12 | N1 | C11 | H11 | 180.0° | 180.0° |
| C12 | N1 | C11 | C6 | 178.2° | 179.4° |
| C10 | C11 | N1 | C6 | 178.5° | 179.4° |
| C10 | C11 | C6 | C7 | 1.6° | 0.5° |
| C10 | C11 | C6 | H7 | 178.4° | 179.8° |
| C11 | C10 | C9 | H10 | 178.0° | 180.0° |
| C10 | C11 | N1 | H11 | 179.6° | 180.0° |
| C22 | C27 | C26 | H31 | 180.0° | 179.7° |
| C22 | C27 | C26 | C25 | 0.5° | 0.6° |
| C27 | C22 | C23 | C24 | 2.8° | 0.3° |
| C27 | C22 | C3 | H3 | 164.5° | 149.7° |
| C27 | C22 | C3 | H4 | 44.7° | 29.7° |
| C27 | C22 | C23 | H27 | 177.2° | 179.8° |
| C22 | C27 | C26 | H30 | 179.5° | 179.8° |
| C26 | C27 | C22 | C23 | 2.4° | 0.6° |
| C27 | C26 | C25 | H30 | 180.0° | 179.6° |
| C27 | C26 | C25 | C24 | 1.2° | 0.4° |
| C27 | C26 | C25 | H29 | 178.8° | 179.7° |
| C22 | C23 | C24 | H27 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 1.1° | 0.0° |
| C23 | C22 | C3 | H3 | 17.1° | 30.0° |
| C23 | C22 | C3 | H4 | 136.9° | 150.0° |
| C22 | C23 | C24 | H28 | 178.9° | 180.0° |
| C23 | C22 | C27 | H31 | 177.5° | 179.8° |
| C8 | C7 | C6 | C11 | 1.3° | 0.3° |
| C8 | C7 | C6 | H8 | 180.0° | 179.9° |
| C8 | C7 | C6 | H7 | 178.7° | 180.0° |
| C7 | C8 | C9 | H10 | 178.4° | 179.8° |
| N1 | C11 | C6 | C7 | 180.0° | 179.9° |
| N1 | C11 | C6 | H7 | 0.0° | 0.4° |
| C11 | N1 | C12 | H12 | 179.5° | 180.0° |
| C26 | C25 | C24 | C23 | 1.0° | 0.1° |
| C26 | C25 | C24 | H29 | 180.0° | 179.9° |
| C26 | C25 | C24 | H28 | 179.0° | 180.0° |
| C25 | C26 | C27 | H31 | 179.5° | 179.7° |
| C11 | C6 | C7 | H7 | 180.0° | 179.7° |
| C11 | C6 | C7 | H8 | 178.7° | 179.8° |
| C6 | C11 | N1 | H11 | 1.8° | 0.6° |
| C23 | C24 | C25 | H28 | 180.0° | 179.9° |
| C23 | C24 | C25 | H29 | 179.1° | 180.0° |
| C25 | C24 | C23 | H27 | 178.9° | 180.0° |
| C24 | C25 | C26 | H30 | 178.8° | 180.0° |
| C6 | C7 | C8 | H9 | 178.7° | 180.0° |
| H1 | C2 | C4 | H5 | 73.7° | 60.0° |
| H1 | C2 | C4 | H6 | 44.6° | 180.0° |
| H1 | C2 | N6 | H40 | 140.8° | 120.0° |
| H2 | C2 | C4 | H5 | 168.1° | 180.0° |
| H2 | C2 | C4 | H6 | 73.6° | 60.0° |
| H2 | C2 | N6 | H40 | 22.6° | 120.0° |
| H7 | C6 | C7 | H8 | 1.3° | 0.1° |
| H8 | C7 | C8 | H9 | 1.3° | 0.1° |
| H9 | C8 | C9 | H10 | 1.6° | 0.3° |
| H11 | N1 | C12 | H12 | 0.6° | 0.0° |
| H13 | C14 | C15 | H15 | 49.9° | 65.0° |
| H14 | C14 | C15 | H15 | 168.4° | 175.0° |
| H15 | C15 | N3 | H24 | 150.4° | 145.0° |
| H16 | N2 | C17 | H17 | 155.1° | 145.0° |
| H17 | C17 | C18 | H18 | 61.5° | 180.0° |
| H17 | C17 | C18 | H19 | 58.5° | 60.0° |
| H17 | C17 | C18 | H20 | 178.5° | 60.0° |
| H17 | C17 | C19 | H21 | 63.2° | 60.0° |
| H17 | C17 | C19 | H22 | 56.8° | 60.0° |
| H17 | C17 | C19 | H23 | 176.8° | 180.0° |
| H18 | C18 | H19 | H20 | 120.0° | 120.0° |
| H21 | C19 | H22 | H23 | 120.0° | 120.0° |
| H25 | C21 | N4 | H26 | 108.9° | 0.0° |
| H25 | C21 | C28 | H32 | 172.9° | 175.1° |
| H25 | C21 | C28 | H33 | 68.0° | 65.0° |
| H27 | C23 | C24 | H28 | 1.1° | 0.1° |
| H28 | C24 | C25 | H29 | 0.9° | 0.1° |
| H29 | C25 | C26 | H30 | 1.2° | 0.1° |
| H30 | C26 | C27 | H31 | 0.5° | 0.1° |
| H32 | C28 | C29 | H34 | 175.5° | 179.9° |
| H32 | C28 | C29 | H35 | 55.5° | 60.0° |
| H33 | C28 | C29 | H34 | 65.4° | 59.9° |
| H33 | C28 | C29 | H35 | 174.6° | 180.0° |
| H34 | C29 | C30 | H36 | 80.3° | 179.9° |
| H34 | C29 | C30 | H37 | 38.8° | 60.0° |
| H35 | C29 | C30 | H36 | 159.7° | 60.0° |
| H35 | C29 | C30 | H37 | 81.1° | 179.9° |
| H36 | C30 | C31 | H38 | 170.3° | 180.0° |
| H36 | C30 | C31 | H39 | 51.1° | 60.1° |
| H37 | C30 | C31 | H38 | 70.5° | 60.0° |
| H37 | C30 | C31 | H39 | 170.2° | 180.0° |
| H42 | C33 | C34 | H43 | 43.3° | 20.0° |
| H43 | C34 | O8 | H44 | 56.3° | 56.4° |
| H43 | C34 | C35 | H45 | 39.9° | 34.4° |
| H45 | C35 | O9 | H46 | 57.2° | 62.8° |
| H45 | C35 | C36 | H47 | 99.9° | 159.6° |
| H47 | C36 | C37 | H48 | 69.6° | 64.3° |
| H47 | C36 | C37 | H49 | 169.0° | 175.7° |
| H52 | C38 | C39 | H54 | 178.9° | 172.8° |
| H53 | C38 | C39 | H54 | 57.7° | 67.3° |
| H54 | C39 | C40 | H55 | 109.9° | 146.3° |
| H55 | C40 | O18 | H56 | 53.9° | 57.4° |
| H55 | C40 | C41 | H57 | 33.5° | 0.0° |
| H57 | C41 | O19 | H58 | 57.8° | 61.2° |
| H57 | C41 | C42 | H59 | 165.7° | 146.4° |
