LRM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O29 | C52 | doub | 1.22Å | 1.24Å | |
| N17 | C52 | sing | 1.34Å | 1.39Å | |
| N17 | C53 | doub | 1.32Å | 1.37Å | |
| C52 | C51 | sing | 1.47Å | 1.46Å | |
| N18 | C53 | sing | 1.37Å | 1.33Å | |
| C53 | N19 | sing | 1.36Å | 1.41Å | |
| C51 | N16 | sing | 1.35Å | 1.41Å | Aromatic |
| C51 | C50 | doub | 1.39Å | 1.43Å | Aromatic |
| C49 | N16 | sing | 1.47Å | 1.47Å | |
| N16 | C48 | doub | 1.30Å | 1.32Å | Aromatic |
| N19 | C50 | sing | 1.37Å | 1.38Å | |
| C50 | N15 | sing | 1.36Å | 1.44Å | Aromatic |
| O33 | P4 | doub | 1.48Å | 1.53Å | |
| O34 | P4 | sing | 1.61Å | 1.48Å | |
| O36 | P3 | doub | 1.48Å | 1.48Å | |
| C48 | N15 | sing | 1.36Å | 1.34Å | Aromatic |
| P4 | O24 | sing | 1.61Å | 1.59Å | |
| P4 | O25 | sing | 1.61Å | 1.59Å | |
| N15 | C47 | sing | 1.46Å | 1.46Å | |
| O24 | P3 | sing | 1.61Å | 1.60Å | |
| P3 | O23 | sing | 1.61Å | 1.60Å | |
| P3 | O35 | sing | 1.61Å | 1.48Å | |
| O32 | P5 | doub | 1.48Å | 1.48Å | |
| C47 | C54 | sing | 1.54Å | 1.53Å | |
| C47 | O28 | sing | 1.45Å | 1.42Å | |
| O23 | C44 | sing | 1.43Å | 1.44Å | |
| O25 | P5 | sing | 1.61Å | 1.59Å | |
| C54 | C55 | sing | 1.55Å | 1.53Å | |
| C54 | O30 | sing | 1.43Å | 1.42Å | |
| O37 | C7 | sing | 1.44Å | 1.42Å | |
| O37 | C43 | sing | 1.44Å | 1.45Å | |
| P5 | O27 | sing | 1.61Å | 1.65Å | |
| P5 | O26 | sing | 1.61Å | 1.54Å | |
| C7 | N4 | sing | 1.47Å | 1.48Å | |
| C7 | C8 | sing | 1.54Å | 1.53Å | |
| O28 | C46 | sing | 1.44Å | 1.44Å | |
| C55 | O31 | sing | 1.43Å | 1.42Å | |
| C55 | C46 | sing | 1.54Å | 1.52Å | |
| O27 | C45 | sing | 1.43Å | 1.44Å | |
| N4 | C6 | sing | 1.36Å | 1.37Å | Aromatic |
| N4 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| C43 | C44 | sing | 1.53Å | 1.51Å | |
| C43 | C10 | sing | 1.55Å | 1.52Å | |
| C6 | N3 | doub | 1.30Å | 1.35Å | Aromatic |
| C4 | N2 | doub | 1.33Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.45Å | Aromatic |
| N2 | C3 | sing | 1.32Å | 1.36Å | Aromatic |
| O | C8 | sing | 1.43Å | 1.42Å | |
| O | C9 | sing | 1.43Å | 1.42Å | |
| N3 | C5 | sing | 1.35Å | 1.42Å | Aromatic |
| C5 | C2 | doub | 1.41Å | 1.48Å | Aromatic |
| C3 | N1 | doub | 1.32Å | 1.38Å | Aromatic |
| C2 | N1 | sing | 1.33Å | 1.43Å | Aromatic |
| C2 | N | sing | 1.38Å | 1.32Å | |
| C | N | sing | 1.47Å | 1.47Å | |
| N | C1 | sing | 1.47Å | 1.47Å | |
| C46 | C45 | sing | 1.53Å | 1.51Å | |
| C8 | C10 | sing | 1.55Å | 1.53Å | |
| C10 | O1 | sing | 1.43Å | 1.44Å | |
| O1 | P | sing | 1.61Å | 1.60Å | |
| P | O22 | doub | 1.48Å | 1.49Å | |
| P | O21 | sing | 1.61Å | 1.55Å | |
| P | O2 | sing | 1.61Å | 1.61Å | |
| O3 | C13 | sing | 1.44Å | 1.42Å | |
| O3 | C12 | sing | 1.44Å | 1.45Å | |
| C18 | N9 | doub | 1.32Å | 1.36Å | Aromatic |
| C18 | N8 | sing | 1.32Å | 1.39Å | Aromatic |
| N9 | C15 | sing | 1.33Å | 1.41Å | Aromatic |
| N8 | C17 | doub | 1.33Å | 1.40Å | Aromatic |
| C15 | N5 | sing | 1.37Å | 1.36Å | Aromatic |
| C15 | C16 | doub | 1.41Å | 1.47Å | Aromatic |
| C17 | C16 | sing | 1.41Å | 1.44Å | Aromatic |
| C17 | N7 | sing | 1.38Å | 1.38Å | |
| N5 | C13 | sing | 1.46Å | 1.47Å | |
| N5 | C14 | sing | 1.36Å | 1.37Å | Aromatic |
| C16 | N6 | sing | 1.35Å | 1.40Å | Aromatic |
| C13 | C19 | sing | 1.54Å | 1.53Å | |
| C14 | N6 | doub | 1.30Å | 1.35Å | Aromatic |
| O2 | C11 | sing | 1.43Å | 1.44Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C12 | C21 | sing | 1.55Å | 1.52Å | |
| O4 | C19 | sing | 1.43Å | 1.42Å | |
| O4 | C20 | sing | 1.43Å | 1.42Å | |
| C19 | C21 | sing | 1.55Å | 1.53Å | |
| C21 | O5 | sing | 1.43Å | 1.44Å | |
| O5 | P1 | sing | 1.61Å | 1.60Å | |
| N11 | C27 | sing | 1.38Å | 1.33Å | |
| C27 | C26 | sing | 1.41Å | 1.43Å | |
| C27 | N12 | doub | 1.33Å | 1.35Å | |
| C26 | C25 | doub | 1.35Å | 1.34Å | |
| N12 | C28 | sing | 1.33Å | 1.36Å | |
| C25 | N10 | sing | 1.36Å | 1.38Å | |
| O20 | P1 | doub | 1.48Å | 1.48Å | |
| P1 | O19 | sing | 1.61Å | 1.54Å | |
| P1 | O6 | sing | 1.61Å | 1.60Å | |
| C28 | N10 | sing | 1.35Å | 1.41Å | |
| C28 | O8 | doub | 1.22Å | 1.23Å | |
| N10 | C24 | sing | 1.46Å | 1.49Å | |
| O7 | C24 | sing | 1.44Å | 1.42Å | |
| O7 | C23 | sing | 1.44Å | 1.45Å | |
| C24 | C29 | sing | 1.55Å | 1.53Å | |
| O6 | C22 | sing | 1.43Å | 1.44Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C23 | C31 | sing | 1.55Å | 1.52Å | |
| O14 | C39 | doub | 1.22Å | 1.23Å | |
| C36 | N14 | sing | 1.47Å | 1.47Å | |
| C39 | N14 | sing | 1.35Å | 1.40Å | |
| C39 | C38 | sing | 1.42Å | 1.44Å | |
| C29 | O9 | sing | 1.43Å | 1.42Å | |
| C29 | C31 | sing | 1.55Å | 1.52Å | |
| N14 | C35 | sing | 1.35Å | 1.40Å | |
| O9 | C30 | sing | 1.43Å | 1.42Å | |
| C31 | O10 | sing | 1.43Å | 1.44Å | |
| C38 | C37 | doub | 1.35Å | 1.34Å | |
| C35 | O13 | doub | 1.22Å | 1.22Å | |
| C35 | N13 | sing | 1.35Å | 1.38Å | |
| C37 | N13 | sing | 1.37Å | 1.38Å | |
| N13 | C34 | sing | 1.46Å | 1.48Å | |
| O10 | P2 | sing | 1.61Å | 1.63Å | |
| C34 | O12 | sing | 1.44Å | 1.42Å | |
| C34 | C40 | sing | 1.55Å | 1.54Å | |
| O12 | C33 | sing | 1.44Å | 1.45Å | |
| O18 | P2 | doub | 1.48Å | 1.48Å | |
| P2 | O11 | sing | 1.61Å | 1.64Å | |
| P2 | O17 | sing | 1.61Å | 1.55Å | |
| O11 | C32 | sing | 1.43Å | 1.44Å | |
| C33 | C32 | sing | 1.53Å | 1.51Å | |
| C33 | C42 | sing | 1.54Å | 1.53Å | |
| C40 | O15 | sing | 1.43Å | 1.43Å | |
| C40 | C42 | sing | 1.54Å | 1.53Å | |
| C41 | O15 | sing | 1.43Å | 1.43Å | |
| C42 | O16 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å | |
| N11 | H12 | sing | 0.97Å | 1.00Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.08Å | 1.08Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| C32 | H29 | sing | 1.09Å | 1.10Å | |
| O35 | H30 | sing | 0.97Å | 0.95Å | |
| O34 | H31 | sing | 0.97Å | 0.95Å | |
| C45 | H32 | sing | 1.09Å | 1.10Å | |
| C45 | H33 | sing | 1.09Å | 1.10Å | |
| C46 | H34 | sing | 1.09Å | 1.10Å | |
| C55 | H35 | sing | 1.09Å | 1.10Å | |
| O31 | H36 | sing | 0.97Å | 0.95Å | |
| C54 | H37 | sing | 1.09Å | 1.10Å | |
| O30 | H38 | sing | 0.97Å | 0.95Å | |
| C47 | H39 | sing | 1.09Å | 1.10Å | |
| N19 | H40 | sing | 0.97Å | 1.00Å | |
| N18 | H41 | sing | 0.97Å | 1.00Å | |
| N18 | H42 | sing | 0.97Å | 1.00Å | |
| C49 | H43 | sing | 1.09Å | 1.10Å | |
| C49 | H44 | sing | 1.09Å | 1.10Å | |
| C49 | H45 | sing | 1.09Å | 1.10Å | |
| C48 | H46 | sing | 1.08Å | 1.08Å | |
| O26 | H47 | sing | 0.97Å | 0.95Å | |
| C44 | H48 | sing | 1.09Å | 1.10Å | |
| C44 | H49 | sing | 1.09Å | 1.10Å | |
| C43 | H50 | sing | 1.09Å | 1.10Å | |
| C | H51 | sing | 1.09Å | 1.10Å | |
| C | H52 | sing | 1.09Å | 1.10Å | |
| C | H53 | sing | 1.09Å | 1.10Å | |
| C10 | H54 | sing | 1.09Å | 1.10Å | |
| O21 | H55 | sing | 0.97Å | 0.95Å | |
| C11 | H56 | sing | 1.09Å | 1.10Å | |
| C11 | H57 | sing | 1.09Å | 1.10Å | |
| C12 | H58 | sing | 1.09Å | 1.10Å | |
| C21 | H59 | sing | 1.09Å | 1.10Å | |
| C18 | H60 | sing | 1.08Å | 1.08Å | |
| N7 | H61 | sing | 0.97Å | 1.00Å | |
| N7 | H62 | sing | 0.97Å | 1.00Å | |
| O19 | H63 | sing | 0.97Å | 0.95Å | |
| C24 | H64 | sing | 1.09Å | 1.10Å | |
| C25 | H65 | sing | 1.08Å | 1.08Å | |
| O17 | H66 | sing | 0.97Å | 0.95Å | |
| C33 | H67 | sing | 1.09Å | 1.10Å | |
| C42 | H68 | sing | 1.09Å | 1.10Å | |
| O16 | H69 | sing | 0.97Å | 0.95Å | |
| C40 | H70 | sing | 1.09Å | 1.10Å | |
| C41 | H71 | sing | 1.09Å | 1.10Å | |
| C41 | H72 | sing | 1.09Å | 1.10Å | |
| C41 | H73 | sing | 1.09Å | 1.10Å | |
| C34 | H74 | sing | 1.09Å | 1.10Å | |
| C37 | H75 | sing | 1.08Å | 1.08Å | |
| C38 | H76 | sing | 1.08Å | 1.08Å | |
| C36 | H77 | sing | 1.09Å | 1.10Å | |
| C36 | H78 | sing | 1.09Å | 1.10Å | |
| C36 | H79 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O29 | C52 | N17 | 118.1° | 120.7° |
| O29 | C52 | C51 | 128.1° | 120.7° |
| C52 | N17 | C53 | 125.1° | 121.3° |
| N17 | C52 | C51 | 113.8° | 118.6° |
| N17 | C53 | N18 | 117.2° | 118.8° |
| N17 | C53 | N19 | 123.1° | 122.5° |
| C52 | C51 | N16 | 134.3° | 134.5° |
| C52 | C51 | C50 | 119.2° | 118.1° |
| N18 | C53 | N19 | 119.7° | 118.7° |
| C53 | N18 | H41 | 120.0° | 120.0° |
| C53 | N18 | H42 | 120.0° | 120.0° |
| C53 | N19 | C50 | 113.7° | 120.5° |
| C53 | N19 | H40 | 123.2° | 119.7° |
| N16 | C51 | C50 | 106.5° | 107.4° |
| C51 | N16 | C49 | 126.7° | 125.4° |
| C51 | N16 | C48 | 108.5° | 109.2° |
| C51 | C50 | N19 | 125.2° | 118.9° |
| C51 | C50 | N15 | 105.2° | 106.4° |
| C49 | N16 | C48 | 124.7° | 125.4° |
| N16 | C49 | H43 | 109.5° | 109.5° |
| N16 | C49 | H44 | 109.5° | 109.5° |
| N16 | C49 | H45 | 109.5° | 109.5° |
| N16 | C48 | N15 | 112.0° | 109.5° |
| N16 | C48 | H46 | 124.0° | 125.2° |
| N19 | C50 | N15 | 129.6° | 134.7° |
| C50 | N19 | H40 | 123.2° | 119.8° |
| C50 | N15 | C48 | 107.7° | 107.5° |
| C50 | N15 | C47 | 126.0° | 126.2° |
| O33 | P4 | O34 | 114.6° | 109.4° |
| O33 | P4 | O24 | 107.9° | 109.5° |
| O33 | P4 | O25 | 107.8° | 109.5° |
| O34 | P4 | O24 | 111.0° | 109.5° |
| O34 | P4 | O25 | 113.1° | 109.5° |
| P4 | O34 | H31 | 109.5° | 113.9° |
| O36 | P3 | O24 | 109.0° | 109.5° |
| O36 | P3 | O23 | 108.2° | 109.5° |
| O36 | P3 | O35 | 119.1° | 109.5° |
| C48 | N15 | C47 | 125.6° | 126.3° |
| N15 | C48 | H46 | 124.0° | 125.2° |
| O24 | P4 | O25 | 101.6° | 109.5° |
| P4 | O24 | P3 | 131.9° | 134.0° |
| P4 | O25 | P5 | 136.0° | 134.0° |
| N15 | C47 | C54 | 114.4° | 110.4° |
| N15 | C47 | O28 | 109.4° | 110.4° |
| N15 | C47 | H39 | 108.6° | 110.4° |
| O24 | P3 | O23 | 100.6° | 109.5° |
| O24 | P3 | O35 | 109.0° | 109.5° |
| O23 | P3 | O35 | 109.4° | 109.5° |
| P3 | O23 | C44 | 120.9° | 123.0° |
| P3 | O35 | H30 | 109.5° | 114.0° |
| O32 | P5 | O25 | 111.8° | 109.5° |
| O32 | P5 | O27 | 110.6° | 109.5° |
| O32 | P5 | O26 | 114.5° | 109.5° |
| C54 | C47 | O28 | 107.3° | 104.9° |
| C47 | C54 | C55 | 101.4° | 104.1° |
| C47 | C54 | O30 | 108.9° | 110.5° |
| C47 | C54 | H37 | 110.3° | 110.7° |
| C54 | C47 | H39 | 107.7° | 110.4° |
| C47 | O28 | C46 | 110.0° | 105.2° |
| O28 | C47 | H39 | 109.3° | 110.3° |
| O23 | C44 | C43 | 108.4° | 109.5° |
| O23 | C44 | H48 | 109.7° | 109.5° |
| O23 | C44 | H49 | 109.7° | 109.5° |
| O25 | P5 | O27 | 104.8° | 109.4° |
| O25 | P5 | O26 | 106.9° | 109.5° |
| C55 | C54 | O30 | 113.5° | 110.5° |
| C54 | C55 | O31 | 113.8° | 110.5° |
| C54 | C55 | C46 | 101.9° | 104.0° |
| C54 | C55 | H35 | 108.8° | 110.6° |
| C55 | C54 | H37 | 110.4° | 110.5° |
| O30 | C54 | H37 | 111.9° | 110.5° |
| C54 | O30 | H38 | 109.5° | 114.0° |
| C7 | O37 | C43 | 110.3° | 107.0° |
| O37 | C7 | N4 | 108.6° | 109.9° |
| O37 | C7 | C8 | 107.0° | 107.3° |
| O37 | C7 | H6 | 109.3° | 110.0° |
| O37 | C43 | C44 | 110.1° | 110.6° |
| O37 | C43 | C10 | 104.2° | 103.5° |
| O37 | C43 | H50 | 109.6° | 110.7° |
| O27 | P5 | O26 | 107.6° | 109.5° |
| P5 | O27 | C45 | 122.7° | 123.0° |
| P5 | O26 | H47 | 109.5° | 114.0° |
| N4 | C7 | C8 | 115.5° | 109.9° |
| C7 | N4 | C6 | 127.0° | 126.3° |
| C7 | N4 | C4 | 125.9° | 126.3° |
| N4 | C7 | H6 | 108.5° | 109.9° |
| C7 | C8 | O | 109.6° | 110.5° |
| C7 | C8 | C10 | 101.6° | 104.2° |
| C8 | C7 | H6 | 107.8° | 109.9° |
| C7 | C8 | H7 | 110.2° | 110.5° |
| O28 | C46 | C55 | 104.6° | 104.9° |
| O28 | C46 | C45 | 109.7° | 110.3° |
| O28 | C46 | H34 | 109.2° | 110.3° |
| O31 | C55 | C46 | 112.8° | 110.5° |
| O31 | C55 | H35 | 110.3° | 110.5° |
| C55 | O31 | H36 | 109.5° | 114.0° |
| C55 | C46 | C45 | 116.7° | 110.4° |
| C55 | C46 | H34 | 108.1° | 110.5° |
| C46 | C55 | H35 | 108.9° | 110.6° |
| O27 | C45 | C46 | 109.2° | 109.5° |
| O27 | C45 | H32 | 109.6° | 109.4° |
| O27 | C45 | H33 | 109.5° | 109.5° |
| C6 | N4 | C4 | 106.8° | 107.5° |
| N4 | C6 | N3 | 113.8° | 110.0° |
| N4 | C6 | H5 | 123.1° | 125.0° |
| N4 | C4 | N2 | 128.1° | 134.9° |
| N4 | C4 | C5 | 106.9° | 106.0° |
| C44 | C43 | C10 | 115.3° | 110.6° |
| C43 | C44 | H48 | 109.7° | 109.5° |
| C43 | C44 | H49 | 109.7° | 109.5° |
| C44 | C43 | H50 | 108.8° | 110.6° |
| C43 | C10 | C8 | 102.1° | 102.1° |
| C43 | C10 | O1 | 107.0° | 110.9° |
| C10 | C43 | H50 | 108.6° | 110.6° |
| C43 | C10 | H54 | 111.6° | 110.9° |
| C6 | N3 | C5 | 104.8° | 109.4° |
| N3 | C6 | H5 | 123.1° | 125.0° |
| N2 | C4 | C5 | 125.0° | 119.1° |
| C4 | N2 | C3 | 113.8° | 120.6° |
| C4 | C5 | N3 | 107.6° | 107.2° |
| C4 | C5 | C2 | 116.9° | 118.1° |
| N2 | C3 | N1 | 127.8° | 122.5° |
| N2 | C3 | H4 | 116.1° | 118.7° |
| C8 | O | C9 | 115.0° | 114.0° |
| O | C8 | C10 | 112.9° | 110.5° |
| O | C8 | H7 | 111.8° | 110.5° |
| O | C9 | H8 | 109.5° | 109.5° |
| O | C9 | H9 | 109.5° | 109.4° |
| O | C9 | H10 | 109.5° | 109.5° |
| N3 | C5 | C2 | 135.5° | 134.7° |
| C5 | C2 | N1 | 116.2° | 118.4° |
| C5 | C2 | N | 126.7° | 120.8° |
| C3 | N1 | C2 | 120.2° | 121.2° |
| N1 | C3 | H4 | 116.1° | 118.8° |
| N1 | C2 | N | 117.1° | 120.8° |
| C2 | N | C | 123.0° | 111.0° |
| C2 | N | C1 | 124.1° | 111.0° |
| C | N | C1 | 112.8° | 111.0° |
| N | C | H51 | 109.5° | 109.5° |
| N | C | H52 | 109.4° | 109.4° |
| N | C | H53 | 109.5° | 109.5° |
| N | C1 | H1 | 109.5° | 109.5° |
| N | C1 | H2 | 109.5° | 109.5° |
| N | C1 | H3 | 109.5° | 109.5° |
| C46 | C45 | H32 | 109.5° | 109.5° |
| C46 | C45 | H33 | 109.5° | 109.5° |
| C45 | C46 | H34 | 108.3° | 110.3° |
| C8 | C10 | O1 | 111.3° | 110.9° |
| C10 | C8 | H7 | 110.3° | 110.5° |
| C8 | C10 | H54 | 111.5° | 110.9° |
| C10 | O1 | P | 125.7° | 123.0° |
| O1 | C10 | H54 | 112.9° | 110.9° |
| O1 | P | O22 | 112.3° | 109.5° |
| O1 | P | O21 | 107.5° | 109.5° |
| O1 | P | O2 | 101.7° | 109.4° |
| O22 | P | O21 | 115.1° | 109.5° |
| O22 | P | O2 | 110.8° | 109.5° |
| O21 | P | O2 | 108.5° | 109.4° |
| P | O21 | H55 | 109.5° | 114.0° |
| P | O2 | C11 | 121.2° | 123.0° |
| C13 | O3 | C12 | 110.7° | 107.0° |
| O3 | C13 | N5 | 108.8° | 110.0° |
| O3 | C13 | C19 | 106.2° | 107.3° |
| O3 | C13 | H13 | 109.8° | 109.9° |
| O3 | C12 | C11 | 110.0° | 110.7° |
| O3 | C12 | C21 | 104.6° | 103.5° |
| O3 | C12 | H58 | 110.3° | 110.8° |
| N9 | C18 | N8 | 129.0° | 122.5° |
| C18 | N9 | C15 | 112.5° | 120.6° |
| N9 | C18 | H60 | 115.5° | 118.7° |
| C18 | N8 | C17 | 118.5° | 121.2° |
| N8 | C18 | H60 | 115.5° | 118.8° |
| N9 | C15 | N5 | 130.0° | 134.9° |
| N9 | C15 | C16 | 124.1° | 119.1° |
| N8 | C17 | C16 | 118.7° | 118.5° |
| N8 | C17 | N7 | 117.5° | 120.8° |
| N5 | C15 | C16 | 105.9° | 106.0° |
| C15 | N5 | C13 | 124.9° | 126.3° |
| C15 | N5 | C14 | 106.3° | 107.4° |
| C15 | C16 | C17 | 117.3° | 118.1° |
| C15 | C16 | N6 | 109.1° | 107.1° |
| C16 | C17 | N7 | 123.8° | 120.8° |
| C17 | C16 | N6 | 133.6° | 134.7° |
| C17 | N7 | H61 | 109.5° | 120.0° |
| C17 | N7 | H62 | 109.5° | 120.0° |
| C13 | N5 | C14 | 128.7° | 126.2° |
| N5 | C13 | C19 | 114.5° | 109.9° |
| N5 | C13 | H13 | 109.2° | 109.8° |
| N5 | C14 | N6 | 115.5° | 110.0° |
| N5 | C14 | H14 | 122.2° | 125.0° |
| C16 | N6 | C14 | 103.1° | 109.5° |
| C13 | C19 | O4 | 110.0° | 110.5° |
| C13 | C19 | C21 | 100.0° | 104.2° |
| C19 | C13 | H13 | 108.3° | 109.9° |
| C13 | C19 | H15 | 110.0° | 110.5° |
| N6 | C14 | H14 | 122.2° | 125.0° |
| O2 | C11 | C12 | 109.5° | 109.4° |
| O2 | C11 | H56 | 109.5° | 109.5° |
| O2 | C11 | H57 | 109.5° | 109.5° |
| C11 | C12 | C21 | 113.0° | 110.6° |
| C12 | C11 | H56 | 109.5° | 109.5° |
| C12 | C11 | H57 | 109.5° | 109.5° |
| C11 | C12 | H58 | 109.5° | 110.6° |
| C12 | C21 | C19 | 103.7° | 102.1° |
| C12 | C21 | O5 | 107.6° | 110.9° |
| C21 | C12 | H58 | 109.3° | 110.5° |
| C12 | C21 | H59 | 109.9° | 110.9° |
| C19 | O4 | C20 | 114.5° | 114.0° |
| O4 | C19 | C21 | 114.7° | 110.5° |
| O4 | C19 | H15 | 111.5° | 110.5° |
| O4 | C20 | H16 | 109.5° | 109.5° |
| O4 | C20 | H17 | 109.5° | 109.5° |
| O4 | C20 | H18 | 109.5° | 109.5° |
| C19 | C21 | O5 | 114.5° | 110.9° |
| C21 | C19 | H15 | 110.0° | 110.6° |
| C19 | C21 | H59 | 109.8° | 110.9° |
| C21 | O5 | P1 | 122.6° | 123.0° |
| O5 | C21 | H59 | 111.1° | 110.8° |
| O5 | P1 | O20 | 114.5° | 109.5° |
| O5 | P1 | O19 | 107.7° | 109.5° |
| O5 | P1 | O6 | 101.2° | 109.5° |
| N11 | C27 | C26 | 120.5° | 120.2° |
| N11 | C27 | N12 | 118.0° | 120.2° |
| C27 | N11 | H11 | 120.0° | 120.0° |
| C27 | N11 | H12 | 120.0° | 120.0° |
| C26 | C27 | N12 | 121.5° | 119.6° |
| C27 | C26 | C25 | 117.5° | 119.0° |
| C27 | C26 | H22 | 121.3° | 120.5° |
| C27 | N12 | C28 | 120.9° | 120.7° |
| C26 | C25 | N10 | 121.4° | 119.3° |
| C25 | C26 | H22 | 121.3° | 120.5° |
| C26 | C25 | H65 | 119.3° | 120.4° |
| N12 | C28 | N10 | 118.5° | 121.1° |
| N12 | C28 | O8 | 122.0° | 119.4° |
| C25 | N10 | C28 | 120.2° | 120.3° |
| C25 | N10 | C24 | 121.0° | 119.8° |
| N10 | C25 | H65 | 119.3° | 120.4° |
| O20 | P1 | O19 | 114.3° | 109.5° |
| O20 | P1 | O6 | 111.0° | 109.5° |
| O19 | P1 | O6 | 107.1° | 109.5° |
| P1 | O19 | H63 | 109.5° | 114.0° |
| P1 | O6 | C22 | 125.1° | 123.0° |
| N10 | C28 | O8 | 119.4° | 119.5° |
| C28 | N10 | C24 | 118.8° | 119.8° |
| N10 | C24 | O7 | 109.4° | 110.5° |
| N10 | C24 | C29 | 114.1° | 110.4° |
| N10 | C24 | H64 | 108.8° | 110.3° |
| C24 | O7 | C23 | 109.7° | 105.3° |
| O7 | C24 | C29 | 106.6° | 104.8° |
| O7 | C24 | H64 | 109.7° | 110.4° |
| O7 | C23 | C22 | 110.1° | 110.4° |
| O7 | C23 | C31 | 102.5° | 104.8° |
| O7 | C23 | H21 | 110.2° | 110.5° |
| C24 | C29 | O9 | 109.8° | 110.5° |
| C24 | C29 | C31 | 99.9° | 104.1° |
| C24 | C29 | H23 | 110.3° | 110.6° |
| C29 | C24 | H64 | 108.2° | 110.3° |
| O6 | C22 | C23 | 109.5° | 109.4° |
| O6 | C22 | H19 | 109.4° | 109.5° |
| O6 | C22 | H20 | 109.5° | 109.4° |
| C22 | C23 | C31 | 115.4° | 110.3° |
| C23 | C22 | H19 | 109.5° | 109.5° |
| C23 | C22 | H20 | 109.4° | 109.5° |
| C22 | C23 | H21 | 109.3° | 110.3° |
| C23 | C31 | C29 | 101.1° | 104.0° |
| C23 | C31 | O10 | 116.0° | 110.5° |
| C31 | C23 | H21 | 109.2° | 110.3° |
| C23 | C31 | H27 | 108.7° | 110.5° |
| O14 | C39 | N14 | 119.9° | 120.3° |
| O14 | C39 | C38 | 124.6° | 120.3° |
| C36 | N14 | C39 | 118.1° | 119.9° |
| C36 | N14 | C35 | 117.3° | 119.9° |
| N14 | C36 | H77 | 109.5° | 109.5° |
| N14 | C36 | H78 | 109.5° | 109.5° |
| N14 | C36 | H79 | 109.5° | 109.5° |
| N14 | C39 | C38 | 115.5° | 119.4° |
| C39 | N14 | C35 | 124.5° | 120.3° |
| C39 | C38 | C37 | 120.5° | 119.1° |
| C39 | C38 | H76 | 119.7° | 120.4° |
| O9 | C29 | C31 | 113.7° | 110.5° |
| C29 | O9 | C30 | 114.7° | 114.0° |
| O9 | C29 | H23 | 112.0° | 110.4° |
| C29 | C31 | O10 | 112.3° | 110.5° |
| C31 | C29 | H23 | 110.5° | 110.5° |
| C29 | C31 | H27 | 108.6° | 110.5° |
| N14 | C35 | O13 | 121.4° | 119.6° |
| N14 | C35 | N13 | 115.7° | 120.9° |
| O9 | C30 | H24 | 109.5° | 109.5° |
| O9 | C30 | H25 | 109.5° | 109.5° |
| O9 | C30 | H26 | 109.4° | 109.5° |
| C31 | O10 | P2 | 120.6° | 123.0° |
| O10 | C31 | H27 | 109.7° | 110.6° |
| C38 | C37 | N13 | 121.6° | 119.7° |
| C38 | C37 | H75 | 119.2° | 120.2° |
| C37 | C38 | H76 | 119.8° | 120.4° |
| O13 | C35 | N13 | 122.9° | 119.5° |
| C35 | N13 | C37 | 122.1° | 120.6° |
| C35 | N13 | C34 | 116.7° | 119.7° |
| C37 | N13 | C34 | 121.0° | 119.7° |
| N13 | C37 | H75 | 119.2° | 120.1° |
| N13 | C34 | O12 | 109.3° | 110.4° |
| N13 | C34 | C40 | 115.1° | 110.4° |
| N13 | C34 | H74 | 108.4° | 110.4° |
| O10 | P2 | O18 | 112.2° | 109.5° |
| O10 | P2 | O11 | 103.2° | 109.5° |
| O10 | P2 | O17 | 108.0° | 109.5° |
| O12 | C34 | C40 | 107.1° | 104.8° |
| C34 | O12 | C33 | 108.7° | 105.3° |
| O12 | C34 | H74 | 109.2° | 110.4° |
| C34 | C40 | O15 | 109.9° | 110.5° |
| C34 | C40 | C42 | 103.2° | 104.1° |
| C34 | C40 | H70 | 109.7° | 110.6° |
| C40 | C34 | H74 | 107.7° | 110.3° |
| O12 | C33 | C32 | 110.5° | 110.4° |
| O12 | C33 | C42 | 104.9° | 104.8° |
| O12 | C33 | H67 | 108.8° | 110.4° |
| O18 | P2 | O11 | 109.3° | 109.5° |
| O18 | P2 | O17 | 114.9° | 109.5° |
| O11 | P2 | O17 | 108.5° | 109.5° |
| P2 | O11 | C32 | 120.1° | 123.1° |
| P2 | O17 | H66 | 109.5° | 114.0° |
| O11 | C32 | C33 | 110.0° | 109.5° |
| O11 | C32 | H28 | 109.3° | 109.5° |
| O11 | C32 | H29 | 109.3° | 109.4° |
| C32 | C33 | C42 | 116.8° | 110.4° |
| C33 | C32 | H28 | 109.4° | 109.5° |
| C33 | C32 | H29 | 109.3° | 109.5° |
| C32 | C33 | H67 | 108.0° | 110.3° |
| C33 | C42 | C40 | 99.9° | 104.1° |
| C33 | C42 | O16 | 111.7° | 110.5° |
| C42 | C33 | H67 | 107.7° | 110.5° |
| C33 | C42 | H68 | 110.1° | 110.5° |
| O15 | C40 | C42 | 112.7° | 110.6° |
| C40 | O15 | C41 | 115.1° | 114.0° |
| O15 | C40 | H70 | 111.3° | 110.5° |
| C40 | C42 | O16 | 112.7° | 110.5° |
| C40 | C42 | H68 | 110.1° | 110.6° |
| C42 | C40 | H70 | 109.8° | 110.5° |
| O15 | C41 | H71 | 109.5° | 109.5° |
| O15 | C41 | H72 | 109.4° | 109.5° |
| O15 | C41 | H73 | 109.5° | 109.5° |
| O16 | C42 | H68 | 111.7° | 110.4° |
| C42 | O16 | H69 | 109.5° | 114.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H8 | C9 | H9 | 109.5° | 109.5° |
| H8 | C9 | H10 | 109.4° | 109.5° |
| H9 | C9 | H10 | 109.5° | 109.4° |
| H11 | N11 | H12 | 120.0° | 120.0° |
| H16 | C20 | H17 | 109.4° | 109.4° |
| H16 | C20 | H18 | 109.5° | 109.5° |
| H17 | C20 | H18 | 109.5° | 109.5° |
| H19 | C22 | H20 | 109.5° | 109.5° |
| H24 | C30 | H25 | 109.5° | 109.5° |
| H24 | C30 | H26 | 109.5° | 109.4° |
| H25 | C30 | H26 | 109.5° | 109.5° |
| H28 | C32 | H29 | 109.4° | 109.4° |
| H32 | C45 | H33 | 109.5° | 109.5° |
| H41 | N18 | H42 | 120.0° | 120.0° |
| H43 | C49 | H44 | 109.5° | 109.5° |
| H43 | C49 | H45 | 109.5° | 109.5° |
| H44 | C49 | H45 | 109.5° | 109.4° |
| H48 | C44 | H49 | 109.5° | 109.4° |
| H51 | C | H52 | 109.5° | 109.5° |
| H51 | C | H53 | 109.4° | 109.5° |
| H52 | C | H53 | 109.5° | 109.5° |
| H56 | C11 | H57 | 109.5° | 109.5° |
| H61 | N7 | H62 | 109.4° | 120.0° |
| H71 | C41 | H72 | 109.5° | 109.4° |
| H71 | C41 | H73 | 109.4° | 109.4° |
| H72 | C41 | H73 | 109.5° | 109.4° |
| H77 | C36 | H78 | 109.4° | 109.4° |
| H77 | C36 | H79 | 109.4° | 109.5° |
| H78 | C36 | H79 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O29 | C52 | N17 | C51 | 178.8° | 179.9° |
| O29 | C52 | N17 | C53 | 178.4° | 180.0° |
| O29 | C52 | C51 | N16 | 1.3° | 0.1° |
| O29 | C52 | C51 | C50 | 178.1° | 180.0° |
| C52 | N17 | C53 | N18 | 176.9° | 180.0° |
| C52 | N17 | C53 | N19 | 0.6° | 0.0° |
| N17 | C52 | C51 | N16 | 179.9° | 180.0° |
| N17 | C52 | C51 | C50 | 0.5° | 0.0° |
| C53 | N17 | C52 | C51 | 0.4° | 0.1° |
| N17 | C53 | N18 | N19 | 177.6° | 180.0° |
| N17 | C53 | N19 | C50 | 1.3° | 0.0° |
| N17 | C53 | N19 | H40 | 178.7° | 179.9° |
| N17 | C53 | N18 | H41 | 0.0° | 180.0° |
| N17 | C53 | N18 | H42 | 180.0° | 0.0° |
| C52 | C51 | N16 | C50 | 179.4° | 180.0° |
| C52 | C51 | N16 | C49 | 2.5° | 0.1° |
| C52 | C51 | N16 | C48 | 179.9° | 179.7° |
| C52 | C51 | C50 | N19 | 0.3° | 0.0° |
| C52 | C51 | C50 | N15 | 179.8° | 180.0° |
| N18 | C53 | N19 | C50 | 176.1° | 180.0° |
| N18 | C53 | N19 | H40 | 3.8° | 0.1° |
| C53 | N18 | H41 | H42 | 180.0° | 180.0° |
| C53 | N19 | C50 | C51 | 1.2° | 0.0° |
| C53 | N19 | C50 | H40 | 180.0° | 179.9° |
| C53 | N19 | C50 | N15 | 178.9° | 180.0° |
| N19 | C53 | N18 | H41 | 177.6° | 0.0° |
| N19 | C53 | N18 | H42 | 2.4° | 180.0° |
| C51 | N16 | C49 | C48 | 177.3° | 179.6° |
| N16 | C51 | C50 | N19 | 179.2° | 180.0° |
| N16 | C51 | C50 | N15 | 0.7° | 0.0° |
| C51 | N16 | C48 | N15 | 0.4° | 0.4° |
| C51 | N16 | C49 | H43 | 180.0° | 90.0° |
| C51 | N16 | C49 | H44 | 60.0° | 150.0° |
| C51 | N16 | C49 | H45 | 60.0° | 30.1° |
| C51 | N16 | C48 | H46 | 179.6° | 180.0° |
| C50 | C51 | N16 | C49 | 177.0° | 179.9° |
| C50 | C51 | N16 | C48 | 0.7° | 0.3° |
| C51 | C50 | N19 | N15 | 179.9° | 180.0° |
| C51 | C50 | N15 | C48 | 0.5° | 0.2° |
| C51 | C50 | N15 | C47 | 169.9° | 180.0° |
| C51 | C50 | N19 | H40 | 178.8° | 180.0° |
| C49 | N16 | C48 | N15 | 177.3° | 180.0° |
| N16 | C49 | H43 | H44 | 120.0° | 120.0° |
| N16 | C49 | H43 | H45 | 120.0° | 120.0° |
| N16 | C49 | H44 | H45 | 120.0° | 120.0° |
| C49 | N16 | C48 | H46 | 2.7° | 0.4° |
| N16 | C48 | N15 | C50 | 0.1° | 0.4° |
| N16 | C48 | N15 | H46 | 180.0° | 179.6° |
| N16 | C48 | N15 | C47 | 170.3° | 179.8° |
| C48 | N16 | C49 | H43 | 2.8° | 89.6° |
| C48 | N16 | C49 | H44 | 117.3° | 30.4° |
| C48 | N16 | C49 | H45 | 122.8° | 150.4° |
| N19 | C50 | N15 | C48 | 179.4° | 179.8° |
| N19 | C50 | N15 | C47 | 10.2° | 0.0° |
| C50 | N15 | C48 | C47 | 170.4° | 179.8° |
| C50 | N15 | C47 | C54 | 84.0° | 85.0° |
| C50 | N15 | C47 | O28 | 155.6° | 159.5° |
| C50 | N15 | C47 | H39 | 36.4° | 37.4° |
| N15 | C50 | N19 | H40 | 1.1° | 0.0° |
| C50 | N15 | C48 | H46 | 179.9° | 180.0° |
| O33 | P4 | O34 | O24 | 122.5° | 120.0° |
| O33 | P4 | O34 | O25 | 124.0° | 120.0° |
| O33 | P4 | O24 | O25 | 113.2° | 120.0° |
| O33 | P4 | O24 | P3 | 160.8° | 45.0° |
| O33 | P4 | O25 | P5 | 79.4° | 40.0° |
| O33 | P4 | O34 | H31 | 0.0° | 180.0° |
| O34 | P4 | O24 | O25 | 120.5° | 120.0° |
| O34 | P4 | O24 | P3 | 34.5° | 75.0° |
| O34 | P4 | O25 | P5 | 48.2° | 80.0° |
| O36 | P3 | O24 | P4 | 94.1° | 40.0° |
| O36 | P3 | O24 | O23 | 113.7° | 120.0° |
| O36 | P3 | O24 | O35 | 131.4° | 120.0° |
| O36 | P3 | O23 | O35 | 131.2° | 120.0° |
| O36 | P3 | O23 | C44 | 111.5° | 55.0° |
| O36 | P3 | O35 | H30 | 0.0° | 180.0° |
| C48 | N15 | C47 | C54 | 107.3° | 95.3° |
| C48 | N15 | C47 | O28 | 13.1° | 20.2° |
| C48 | N15 | C47 | H39 | 132.3° | 142.4° |
| P4 | O24 | P3 | O23 | 152.2° | 160.0° |
| P4 | O24 | P3 | O35 | 37.3° | 80.0° |
| O24 | P4 | O25 | P5 | 167.3° | 160.0° |
| O24 | P4 | O34 | H31 | 122.5° | 60.0° |
| O25 | P4 | O24 | P3 | 86.0° | 165.0° |
| P4 | O25 | P5 | O32 | 2.0° | 45.0° |
| P4 | O25 | P5 | O27 | 117.9° | 165.0° |
| P4 | O25 | P5 | O26 | 128.0° | 75.0° |
| O25 | P4 | O34 | H31 | 124.0° | 60.0° |
| N15 | C47 | C54 | O28 | 121.6° | 118.9° |
| N15 | C47 | C54 | H39 | 120.9° | 122.4° |
| N15 | C47 | O28 | H39 | 118.8° | 122.3° |
| N15 | C47 | C54 | C55 | 95.9° | 142.8° |
| N15 | C47 | C54 | O30 | 144.2° | 98.6° |
| N15 | C47 | O28 | C46 | 121.1° | 159.3° |
| N15 | C47 | C54 | H37 | 21.1° | 24.1° |
| C47 | N15 | C48 | H46 | 9.7° | 0.2° |
| O24 | P3 | O23 | O35 | 114.6° | 120.0° |
| O24 | P3 | O23 | C44 | 134.3° | 175.0° |
| O24 | P3 | O35 | H30 | 125.7° | 59.9° |
| P3 | O23 | C44 | C43 | 98.3° | 180.0° |
| O23 | P3 | O35 | H30 | 125.2° | 60.0° |
| P3 | O23 | C44 | H48 | 21.5° | 60.0° |
| P3 | O23 | C44 | H49 | 141.9° | 60.0° |
| O35 | P3 | O23 | C44 | 19.7° | 65.0° |
| O32 | P5 | O25 | O27 | 119.9° | 120.0° |
| O32 | P5 | O25 | O26 | 126.0° | 120.0° |
| O32 | P5 | O27 | O26 | 125.7° | 120.0° |
| O32 | P5 | O27 | C45 | 157.4° | 55.0° |
| O32 | P5 | O26 | H47 | 0.0° | 180.0° |
| C54 | C47 | O28 | H39 | 116.5° | 118.8° |
| C47 | C54 | C55 | O30 | 116.6° | 118.6° |
| C47 | C54 | C55 | H37 | 116.9° | 118.8° |
| C47 | C54 | O30 | H37 | 122.2° | 122.8° |
| C54 | C47 | O28 | C46 | 3.5° | 40.4° |
| C47 | C54 | C55 | O31 | 158.3° | 118.6° |
| C47 | C54 | C55 | C46 | 36.7° | 0.0° |
| C47 | C54 | C55 | H35 | 78.2° | 118.7° |
| C47 | C54 | O30 | H38 | 180.0° | 176.1° |
| O28 | C47 | C54 | C55 | 25.7° | 23.9° |
| O28 | C47 | C54 | O30 | 94.2° | 142.5° |
| C47 | O28 | C46 | C55 | 20.5° | 40.4° |
| C47 | O28 | C46 | C45 | 146.5° | 159.3° |
| C47 | O28 | C46 | H34 | 95.0° | 78.6° |
| O28 | C47 | C54 | H37 | 142.7° | 94.8° |
| O23 | C44 | C43 | O37 | 54.8° | 70.9° |
| O23 | C44 | C43 | H48 | 119.8° | 120.0° |
| O23 | C44 | C43 | H49 | 119.8° | 120.0° |
| O23 | C44 | C43 | C10 | 172.4° | 175.0° |
| O23 | C44 | H48 | H49 | 120.5° | 120.0° |
| O23 | C44 | C43 | H50 | 65.4° | 52.1° |
| O25 | P5 | O27 | O26 | 113.6° | 120.0° |
| O25 | P5 | O27 | C45 | 81.9° | 175.0° |
| O25 | P5 | O26 | H47 | 124.5° | 59.9° |
| C55 | C54 | O30 | H37 | 125.7° | 122.5° |
| C54 | C55 | C46 | O28 | 35.9° | 24.0° |
| C54 | C55 | O31 | C46 | 115.3° | 114.6° |
| C54 | C55 | O31 | H35 | 122.6° | 122.7° |
| C54 | C55 | C46 | H35 | 114.9° | 118.8° |
| C54 | C55 | C46 | C45 | 157.2° | 142.8° |
| C54 | C55 | C46 | H34 | 80.4° | 94.9° |
| C54 | C55 | O31 | H36 | 180.0° | 65.4° |
| C55 | C54 | O30 | H38 | 67.9° | 61.4° |
| C55 | C54 | C47 | H39 | 143.2° | 94.8° |
| O30 | C54 | C55 | O31 | 41.8° | 0.0° |
| O30 | C54 | C55 | C46 | 79.8° | 118.6° |
| O30 | C54 | C55 | H35 | 165.2° | 122.6° |
| O30 | C54 | C47 | H39 | 23.3° | 23.8° |
| O37 | C7 | N4 | C8 | 120.2° | 117.8° |
| O37 | C7 | N4 | H6 | 118.7° | 121.2° |
| O37 | C7 | C8 | H6 | 117.5° | 119.6° |
| O37 | C7 | N4 | C6 | 9.9° | 22.8° |
| O37 | C7 | N4 | C4 | 163.7° | 157.2° |
| C7 | O37 | C43 | C44 | 145.3° | 158.6° |
| C7 | O37 | C43 | C10 | 21.0° | 40.1° |
| O37 | C7 | C8 | O | 94.6° | 120.7° |
| O37 | C7 | C8 | C10 | 25.1° | 2.0° |
| O37 | C7 | C8 | H7 | 142.0° | 116.7° |
| C7 | O37 | C43 | H50 | 95.1° | 78.5° |
| C43 | O37 | C7 | N4 | 122.6° | 145.9° |
| C43 | O37 | C7 | C8 | 2.8° | 26.5° |
| O37 | C43 | C44 | C10 | 117.6° | 114.1° |
| O37 | C43 | C44 | H50 | 120.2° | 123.0° |
| O37 | C43 | C10 | H50 | 116.8° | 118.6° |
| O37 | C43 | C10 | C8 | 35.9° | 37.0° |
| O37 | C43 | C10 | O1 | 152.8° | 155.2° |
| C43 | O37 | C7 | H6 | 119.3° | 93.0° |
| O37 | C43 | C44 | H48 | 65.1° | 49.1° |
| O37 | C43 | C44 | H49 | 174.6° | 169.0° |
| O37 | C43 | C10 | H54 | 83.3° | 81.1° |
| P5 | O27 | C45 | C46 | 129.0° | 180.0° |
| P5 | O27 | C45 | H32 | 9.0° | 60.0° |
| P5 | O27 | C45 | H33 | 111.1° | 60.0° |
| O27 | P5 | O26 | H47 | 123.4° | 60.0° |
| O26 | P5 | O27 | C45 | 31.7° | 65.0° |
| N4 | C7 | C8 | H6 | 121.4° | 121.0° |
| C7 | N4 | C6 | C4 | 174.6° | 180.0° |
| C7 | N4 | C6 | N3 | 173.1° | 180.0° |
| C7 | N4 | C4 | N2 | 7.0° | 0.0° |
| C7 | N4 | C4 | C5 | 172.6° | 180.0° |
| N4 | C7 | C8 | O | 144.3° | 119.9° |
| N4 | C7 | C8 | C10 | 96.0° | 121.4° |
| C7 | N4 | C6 | H5 | 6.9° | 0.0° |
| N4 | C7 | C8 | H7 | 20.9° | 2.7° |
| C8 | C7 | N4 | C6 | 110.4° | 95.0° |
| C8 | C7 | N4 | C4 | 76.1° | 85.0° |
| C7 | C8 | C10 | C43 | 36.5° | 20.9° |
| C7 | C8 | O | C10 | 112.5° | 114.8° |
| C7 | C8 | O | H7 | 122.5° | 122.6° |
| C7 | C8 | O | C9 | 120.3° | 91.4° |
| C7 | C8 | C10 | H7 | 116.8° | 118.7° |
| C7 | C8 | C10 | O1 | 150.4° | 139.1° |
| C7 | C8 | C10 | H54 | 82.7° | 97.3° |
| O28 | C46 | C55 | O31 | 158.2° | 142.6° |
| O28 | C46 | C55 | C45 | 121.4° | 118.8° |
| O28 | C46 | C55 | H34 | 116.3° | 118.9° |
| O28 | C46 | C45 | O27 | 49.0° | 68.0° |
| O28 | C46 | C45 | H34 | 119.1° | 122.2° |
| O28 | C46 | C45 | H32 | 169.0° | 52.0° |
| O28 | C46 | C45 | H33 | 70.9° | 172.0° |
| O28 | C46 | C55 | H35 | 79.0° | 94.8° |
| C46 | O28 | C47 | H39 | 120.0° | 78.4° |
| O31 | C55 | C46 | H35 | 122.8° | 122.6° |
| O31 | C55 | C46 | C45 | 80.5° | 98.6° |
| O31 | C55 | C46 | H34 | 41.9° | 23.7° |
| O31 | C55 | C54 | H37 | 84.8° | 122.6° |
| C55 | C46 | C45 | O27 | 69.6° | 176.6° |
| C55 | C46 | C45 | H34 | 122.3° | 122.3° |
| C55 | C46 | C45 | H32 | 50.3° | 63.4° |
| C55 | C46 | C45 | H33 | 170.4° | 56.6° |
| C46 | C55 | O31 | H36 | 64.7° | 180.0° |
| C46 | C55 | C54 | H37 | 153.6° | 118.8° |
| O27 | C45 | C46 | H32 | 120.0° | 120.0° |
| O27 | C45 | C46 | H33 | 120.0° | 120.0° |
| O27 | C45 | H32 | H33 | 120.1° | 120.0° |
| O27 | C45 | C46 | H34 | 168.1° | 54.2° |
| N4 | C6 | N3 | H5 | 180.0° | 180.0° |
| C6 | N4 | C4 | N2 | 178.3° | 180.0° |
| C6 | N4 | C4 | C5 | 2.0° | 0.0° |
| N4 | C6 | N3 | C5 | 0.2° | 0.0° |
| C6 | N4 | C7 | H6 | 128.6° | 143.9° |
| C4 | N4 | C6 | N3 | 1.5° | 0.0° |
| N4 | C4 | N2 | C5 | 179.6° | 180.0° |
| N4 | C4 | N2 | C3 | 179.1° | 180.0° |
| N4 | C4 | C5 | N3 | 1.9° | 0.0° |
| N4 | C4 | C5 | C2 | 177.3° | 180.0° |
| C4 | N4 | C6 | H5 | 178.5° | 180.0° |
| C4 | N4 | C7 | H6 | 45.0° | 36.0° |
| C44 | C43 | C10 | H50 | 122.3° | 122.8° |
| C44 | C43 | C10 | C8 | 156.7° | 155.5° |
| C44 | C43 | C10 | O1 | 86.3° | 86.3° |
| C43 | C44 | H48 | H49 | 120.5° | 120.0° |
| C44 | C43 | C10 | H54 | 37.6° | 37.4° |
| C43 | C10 | C8 | O | 80.8° | 97.8° |
| C43 | C10 | C8 | O1 | 113.9° | 118.2° |
| C43 | C10 | C8 | H54 | 119.2° | 118.1° |
| C43 | C10 | O1 | H54 | 123.1° | 123.7° |
| C43 | C10 | O1 | P | 125.9° | 127.3° |
| C43 | C10 | C8 | H7 | 153.4° | 139.6° |
| C10 | C43 | C44 | H48 | 52.5° | 65.0° |
| C10 | C43 | C44 | H49 | 67.8° | 54.9° |
| C6 | N3 | C5 | C4 | 1.1° | 0.0° |
| C6 | N3 | C5 | C2 | 178.0° | 180.0° |
| N2 | C4 | C5 | N3 | 178.4° | 180.0° |
| N2 | C4 | C5 | C2 | 2.4° | 0.1° |
| C4 | N2 | C3 | N1 | 1.1° | 0.0° |
| C4 | N2 | C3 | H4 | 178.9° | 179.9° |
| C5 | C4 | N2 | C3 | 0.5° | 0.0° |
| C4 | C5 | N3 | C2 | 179.0° | 179.9° |
| C4 | C5 | C2 | N1 | 2.7° | 0.1° |
| C4 | C5 | C2 | N | 174.3° | 179.7° |
| N2 | C3 | N1 | H4 | 180.0° | 180.0° |
| N2 | C3 | N1 | C2 | 0.5° | 0.1° |
| O | C8 | C10 | H7 | 125.9° | 122.6° |
| O | C8 | C10 | O1 | 33.1° | 20.4° |
| O | C8 | C7 | H6 | 22.9° | 1.1° |
| C8 | O | C9 | H8 | 180.0° | 60.0° |
| C8 | O | C9 | H9 | 60.0° | 60.1° |
| C8 | O | C9 | H10 | 60.0° | 180.0° |
| O | C8 | C10 | H54 | 160.0° | 144.0° |
| C9 | O | C8 | C10 | 127.2° | 153.8° |
| C9 | O | C8 | H7 | 2.2° | 31.2° |
| O | C9 | H8 | H9 | 120.0° | 120.0° |
| O | C9 | H8 | H10 | 120.0° | 120.0° |
| O | C9 | H9 | H10 | 120.0° | 119.9° |
| N3 | C5 | C2 | N1 | 178.3° | 180.0° |
| N3 | C5 | C2 | N | 4.7° | 0.4° |
| C5 | N3 | C6 | H5 | 179.8° | 180.0° |
| C5 | C2 | N1 | C3 | 1.5° | 0.1° |
| C5 | C2 | N1 | N | 177.3° | 179.6° |
| C5 | C2 | N | C | 172.9° | 56.4° |
| C5 | C2 | N | C1 | 3.7° | 179.7° |
| C3 | N1 | C2 | N | 175.8° | 179.7° |
| N1 | C2 | N | C | 4.1° | 124.0° |
| N1 | C2 | N | C1 | 179.3° | 0.1° |
| C2 | N1 | C3 | H4 | 179.5° | 179.9° |
| C2 | N | C | C1 | 177.0° | 123.9° |
| C2 | N | C1 | H1 | 180.0° | 60.1° |
| C2 | N | C1 | H2 | 60.0° | 179.9° |
| C2 | N | C1 | H3 | 60.0° | 60.0° |
| C2 | N | C | H51 | 180.0° | 60.0° |
| C2 | N | C | H52 | 60.0° | 180.0° |
| C2 | N | C | H53 | 60.0° | 60.0° |
| C | N | C1 | H1 | 3.1° | 176.1° |
| C | N | C1 | H2 | 116.9° | 56.0° |
| C | N | C1 | H3 | 123.1° | 63.9° |
| N | C | H51 | H52 | 120.0° | 120.0° |
| N | C | H51 | H53 | 120.0° | 120.0° |
| N | C | H52 | H53 | 120.0° | 120.0° |
| N | C1 | H1 | H2 | 120.0° | 120.0° |
| N | C1 | H1 | H3 | 120.0° | 120.0° |
| N | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | N | C | H51 | 3.0° | 63.9° |
| C1 | N | C | H52 | 123.0° | 56.1° |
| C1 | N | C | H53 | 117.0° | 176.1° |
| C46 | C45 | H32 | H33 | 120.1° | 120.0° |
| C45 | C46 | C55 | H35 | 42.3° | 24.0° |
| C8 | C10 | O1 | H54 | 126.2° | 123.6° |
| C8 | C10 | O1 | P | 123.4° | 120.0° |
| C10 | C8 | C7 | H6 | 142.5° | 117.5° |
| C8 | C10 | C43 | H50 | 80.9° | 81.6° |
| C10 | O1 | P | O22 | 148.8° | 55.0° |
| C10 | O1 | P | O21 | 21.2° | 65.1° |
| C10 | O1 | P | O2 | 92.7° | 175.0° |
| O1 | C10 | C8 | H7 | 92.8° | 102.2° |
| O1 | C10 | C43 | H50 | 36.0° | 36.5° |
| O1 | P | O22 | O21 | 123.5° | 120.0° |
| O1 | P | O22 | O2 | 113.0° | 120.0° |
| O1 | P | O21 | O2 | 109.3° | 119.9° |
| O1 | P | O2 | C11 | 100.8° | 175.0° |
| P | O1 | C10 | H54 | 2.8° | 3.6° |
| O1 | P | O21 | H55 | 125.9° | 60.0° |
| O22 | P | O21 | O2 | 124.8° | 120.0° |
| O22 | P | O2 | C11 | 139.7° | 55.0° |
| O22 | P | O21 | H55 | 0.0° | 180.0° |
| O21 | P | O2 | C11 | 12.4° | 65.1° |
| P | O2 | C11 | C12 | 144.2° | 180.0° |
| O2 | P | O21 | H55 | 124.8° | 60.0° |
| P | O2 | C11 | H56 | 24.2° | 60.0° |
| P | O2 | C11 | H57 | 95.8° | 60.0° |
| O3 | C13 | N5 | C15 | 163.7° | 157.1° |
| O3 | C13 | N5 | C19 | 118.6° | 117.9° |
| O3 | C13 | N5 | H13 | 119.8° | 121.1° |
| O3 | C13 | N5 | C14 | 21.1° | 22.9° |
| O3 | C13 | C19 | H13 | 117.9° | 119.4° |
| C13 | O3 | C12 | C11 | 129.1° | 158.5° |
| C13 | O3 | C12 | C21 | 7.4° | 40.0° |
| O3 | C13 | C19 | O4 | 87.4° | 120.7° |
| O3 | C13 | C19 | C21 | 33.7° | 2.1° |
| O3 | C13 | C19 | H15 | 149.4° | 116.7° |
| C13 | O3 | C12 | H58 | 110.0° | 78.5° |
| C12 | O3 | C13 | N5 | 106.6° | 146.0° |
| C12 | O3 | C13 | C19 | 17.1° | 26.5° |
| O3 | C12 | C11 | O2 | 84.4° | 70.9° |
| O3 | C12 | C11 | C21 | 116.6° | 114.1° |
| O3 | C12 | C11 | H58 | 121.4° | 123.1° |
| O3 | C12 | C21 | H58 | 118.1° | 118.6° |
| O3 | C12 | C21 | C19 | 28.7° | 37.0° |
| O3 | C12 | C21 | O5 | 150.4° | 155.2° |
| C12 | O3 | C13 | H13 | 134.0° | 92.9° |
| O3 | C12 | C11 | H56 | 35.6° | 49.0° |
| O3 | C12 | C11 | H57 | 155.6° | 169.1° |
| O3 | C12 | C21 | H59 | 88.6° | 81.2° |
| N9 | C18 | N8 | H60 | 180.0° | 179.9° |
| N9 | C18 | N8 | C17 | 0.4° | 0.0° |
| C18 | N9 | C15 | N5 | 179.1° | 180.0° |
| C18 | N9 | C15 | C16 | 0.3° | 0.1° |
| N8 | C18 | N9 | C15 | 0.1° | 0.1° |
| C18 | N8 | C17 | C16 | 0.3° | 0.0° |
| C18 | N8 | C17 | N7 | 179.6° | 179.9° |
| N9 | C15 | N5 | C16 | 179.5° | 179.9° |
| N9 | C15 | C16 | C17 | 0.4° | 0.1° |
| N9 | C15 | N5 | C13 | 4.3° | 0.1° |
| N9 | C15 | N5 | C14 | 179.6° | 179.9° |
| N9 | C15 | C16 | N6 | 179.8° | 180.0° |
| C15 | N9 | C18 | H60 | 179.9° | 180.0° |
| N8 | C17 | C16 | C15 | 0.1° | 0.1° |
| N8 | C17 | C16 | N7 | 179.9° | 180.0° |
| N8 | C17 | C16 | N6 | 179.3° | 179.9° |
| C17 | N8 | C18 | H60 | 179.6° | 180.0° |
| N8 | C17 | N7 | H61 | 0.0° | 179.9° |
| N8 | C17 | N7 | H62 | 120.0° | 0.1° |
| N5 | C15 | C16 | C17 | 179.2° | 180.0° |
| C15 | N5 | C13 | C14 | 175.2° | 179.9° |
| N5 | C15 | C16 | N6 | 0.3° | 0.1° |
| C15 | N5 | C13 | C19 | 77.7° | 84.9° |
| C15 | N5 | C14 | N6 | 0.1° | 0.0° |
| C15 | N5 | C13 | H13 | 43.9° | 36.0° |
| C15 | N5 | C14 | H14 | 179.9° | 179.8° |
| C15 | C16 | C17 | N6 | 179.3° | 179.9° |
| C15 | C16 | C17 | N7 | 179.9° | 179.9° |
| C16 | C15 | N5 | C13 | 176.1° | 180.0° |
| C16 | C15 | N5 | C14 | 0.1° | 0.1° |
| C15 | C16 | N6 | C14 | 0.3° | 0.1° |
| C17 | C16 | N6 | C14 | 179.0° | 180.0° |
| C16 | C17 | N7 | H61 | 179.8° | 0.1° |
| C16 | C17 | N7 | H62 | 60.2° | 180.0° |
| N7 | C17 | C16 | N6 | 0.8° | 0.0° |
| C17 | N7 | H61 | H62 | 120.0° | 180.0° |
| N5 | C13 | C19 | H13 | 122.1° | 121.0° |
| C13 | N5 | C14 | N6 | 175.7° | 180.0° |
| N5 | C13 | C19 | O4 | 152.5° | 119.7° |
| N5 | C13 | C19 | C21 | 86.4° | 121.7° |
| C13 | N5 | C14 | H14 | 4.2° | 0.2° |
| N5 | C13 | C19 | H15 | 29.4° | 2.9° |
| N5 | C14 | N6 | C16 | 0.3° | 0.1° |
| C14 | N5 | C13 | C19 | 97.4° | 95.0° |
| N5 | C14 | N6 | H14 | 180.0° | 179.8° |
| C14 | N5 | C13 | H13 | 140.9° | 144.0° |
| C16 | N6 | C14 | H14 | 179.7° | 179.8° |
| C13 | C19 | C21 | C12 | 37.4° | 20.8° |
| C13 | C19 | O4 | C21 | 111.8° | 114.8° |
| C13 | C19 | O4 | H15 | 122.3° | 122.6° |
| C13 | C19 | O4 | C20 | 106.9° | 91.5° |
| C13 | C19 | C21 | H15 | 115.7° | 118.7° |
| C13 | C19 | C21 | O5 | 154.4° | 139.1° |
| C13 | C19 | C21 | H59 | 80.0° | 97.3° |
| O2 | C11 | C12 | H56 | 120.0° | 120.0° |
| O2 | C11 | C12 | H57 | 120.0° | 120.0° |
| O2 | C11 | C12 | C21 | 159.0° | 175.0° |
| O2 | C11 | H56 | H57 | 120.0° | 120.0° |
| O2 | C11 | C12 | H58 | 37.0° | 52.2° |
| C11 | C12 | C21 | H58 | 122.2° | 122.8° |
| C11 | C12 | C21 | C19 | 148.4° | 155.5° |
| C11 | C12 | C21 | O5 | 89.9° | 86.2° |
| C12 | C11 | H56 | H57 | 120.0° | 120.0° |
| C11 | C12 | C21 | H59 | 31.1° | 37.4° |
| C12 | C21 | C19 | O4 | 80.2° | 97.8° |
| C12 | C21 | C19 | O5 | 117.0° | 118.3° |
| C12 | C21 | C19 | H59 | 117.4° | 118.2° |
| C12 | C21 | O5 | H59 | 120.3° | 123.6° |
| C12 | C21 | O5 | P1 | 106.6° | 127.3° |
| C12 | C21 | C19 | H15 | 153.1° | 139.5° |
| C21 | C12 | C11 | H56 | 81.0° | 65.0° |
| C21 | C12 | C11 | H57 | 39.1° | 55.0° |
| O4 | C19 | C21 | H15 | 126.7° | 122.6° |
| O4 | C19 | C21 | O5 | 36.7° | 20.4° |
| O4 | C19 | C13 | H13 | 30.5° | 1.3° |
| C19 | O4 | C20 | H16 | 180.0° | 60.0° |
| C19 | O4 | C20 | H17 | 60.0° | 180.0° |
| C19 | O4 | C20 | H18 | 60.0° | 60.0° |
| O4 | C19 | C21 | H59 | 162.4° | 144.0° |
| C20 | O4 | C19 | C21 | 141.2° | 153.8° |
| C20 | O4 | C19 | H15 | 15.3° | 31.1° |
| O4 | C20 | H16 | H17 | 120.0° | 120.0° |
| O4 | C20 | H16 | H18 | 120.0° | 120.0° |
| O4 | C20 | H17 | H18 | 120.0° | 120.0° |
| C19 | C21 | O5 | H59 | 125.0° | 123.6° |
| C19 | C21 | O5 | P1 | 138.8° | 120.0° |
| C21 | C19 | C13 | H13 | 151.6° | 117.4° |
| C19 | C21 | C12 | H58 | 89.4° | 81.7° |
| C21 | O5 | P1 | O20 | 15.7° | 55.0° |
| C21 | O5 | P1 | O19 | 144.0° | 65.0° |
| C21 | O5 | P1 | O6 | 103.7° | 175.0° |
| O5 | C21 | C19 | H15 | 89.9° | 102.2° |
| O5 | C21 | C12 | H58 | 32.2° | 36.6° |
| O5 | P1 | O20 | O19 | 125.0° | 120.0° |
| O5 | P1 | O20 | O6 | 113.8° | 120.0° |
| O5 | P1 | O19 | O6 | 108.2° | 120.0° |
| O5 | P1 | O6 | C22 | 53.4° | 175.0° |
| P1 | O5 | C21 | H59 | 13.8° | 3.6° |
| O5 | P1 | O19 | H63 | 128.5° | 60.0° |
| N11 | C27 | C26 | N12 | 178.2° | 180.0° |
| N11 | C27 | C26 | C25 | 177.4° | 179.9° |
| N11 | C27 | N12 | C28 | 176.9° | 180.0° |
| C27 | N11 | H11 | H12 | 180.0° | 180.0° |
| N11 | C27 | C26 | H22 | 2.6° | 0.3° |
| C27 | C26 | C25 | H22 | 180.0° | 179.8° |
| C26 | C27 | N12 | C28 | 1.4° | 0.0° |
| C27 | C26 | C25 | N10 | 0.5° | 0.1° |
| C26 | C27 | N11 | H11 | 178.2° | 0.1° |
| C26 | C27 | N11 | H12 | 1.8° | 180.0° |
| C27 | C26 | C25 | H65 | 179.5° | 179.8° |
| N12 | C27 | C26 | C25 | 0.8° | 0.1° |
| C27 | N12 | C28 | N10 | 0.6° | 0.3° |
| C27 | N12 | C28 | O8 | 179.3° | 179.7° |
| N12 | C27 | N11 | H11 | 0.0° | 179.9° |
| N12 | C27 | N11 | H12 | 180.0° | 0.0° |
| N12 | C27 | C26 | H22 | 179.2° | 179.7° |
| C26 | C25 | N10 | H65 | 180.0° | 179.9° |
| C26 | C25 | N10 | C28 | 1.3° | 0.4° |
| C26 | C25 | N10 | C24 | 179.8° | 179.6° |
| N12 | C28 | N10 | C25 | 0.7° | 0.5° |
| N12 | C28 | N10 | O8 | 178.8° | 179.4° |
| N12 | C28 | N10 | C24 | 179.7° | 179.5° |
| C25 | N10 | C28 | C24 | 179.0° | 180.0° |
| C25 | N10 | C28 | O8 | 178.0° | 179.9° |
| C25 | N10 | C24 | O7 | 18.9° | 129.6° |
| C25 | N10 | C24 | C29 | 100.4° | 115.0° |
| N10 | C25 | C26 | H22 | 179.5° | 179.9° |
| C25 | N10 | C24 | H64 | 138.7° | 7.2° |
| O20 | P1 | O19 | O6 | 123.3° | 120.0° |
| O20 | P1 | O6 | C22 | 175.4° | 55.0° |
| O20 | P1 | O19 | H63 | 0.0° | 180.0° |
| O19 | P1 | O6 | C22 | 59.3° | 65.0° |
| P1 | O6 | C22 | C23 | 138.2° | 180.0° |
| P1 | O6 | C22 | H19 | 101.7° | 60.0° |
| P1 | O6 | C22 | H20 | 18.3° | 60.0° |
| O6 | P1 | O19 | H63 | 123.3° | 60.0° |
| C28 | N10 | C24 | O7 | 162.2° | 50.4° |
| C28 | N10 | C24 | C29 | 78.6° | 65.0° |
| C28 | N10 | C24 | H64 | 42.4° | 172.8° |
| C28 | N10 | C25 | H65 | 178.7° | 179.5° |
| O8 | C28 | N10 | C24 | 0.9° | 0.1° |
| N10 | C24 | O7 | C29 | 123.8° | 118.9° |
| N10 | C24 | O7 | H64 | 119.2° | 122.3° |
| N10 | C24 | O7 | C23 | 121.2° | 159.4° |
| N10 | C24 | C29 | H64 | 121.2° | 122.2° |
| N10 | C24 | C29 | O9 | 148.0° | 98.4° |
| N10 | C24 | C29 | C31 | 92.2° | 142.9° |
| N10 | C24 | C29 | H23 | 24.0° | 24.2° |
| C24 | N10 | C25 | H65 | 0.2° | 0.5° |
| O7 | C24 | C29 | H64 | 117.9° | 118.8° |
| C24 | O7 | C23 | C22 | 148.1° | 159.3° |
| C24 | O7 | C23 | C31 | 24.8° | 40.5° |
| O7 | C24 | C29 | O9 | 91.2° | 142.6° |
| O7 | C24 | C29 | C31 | 28.6° | 24.0° |
| C24 | O7 | C23 | H21 | 91.3° | 78.3° |
| O7 | C24 | C29 | H23 | 144.9° | 94.7° |
| C23 | O7 | C24 | C29 | 2.6° | 40.5° |
| O7 | C23 | C22 | O6 | 59.6° | 69.6° |
| O7 | C23 | C22 | C31 | 115.4° | 115.3° |
| O7 | C23 | C22 | H21 | 121.1° | 122.5° |
| O7 | C23 | C31 | H21 | 116.8° | 119.0° |
| O7 | C23 | C31 | C29 | 42.1° | 24.0° |
| O7 | C23 | C31 | O10 | 163.7° | 142.6° |
| O7 | C23 | C22 | H19 | 179.7° | 170.3° |
| O7 | C23 | C22 | H20 | 60.4° | 50.3° |
| O7 | C23 | C31 | H27 | 72.1° | 94.6° |
| C23 | O7 | C24 | H64 | 119.6° | 78.2° |
| C24 | C29 | C31 | C23 | 42.4° | 0.0° |
| C24 | C29 | O9 | C31 | 111.0° | 114.7° |
| C24 | C29 | O9 | H23 | 122.9° | 122.7° |
| C24 | C29 | C31 | H23 | 116.2° | 118.8° |
| C24 | C29 | O9 | C30 | 89.7° | 95.3° |
| C24 | C29 | C31 | O10 | 166.7° | 118.6° |
| C24 | C29 | C31 | H27 | 71.8° | 118.6° |
| O6 | C22 | C23 | H19 | 120.0° | 120.0° |
| O6 | C22 | C23 | H20 | 120.0° | 119.9° |
| O6 | C22 | C23 | C31 | 55.8° | 175.0° |
| O6 | C22 | H19 | H20 | 120.0° | 120.0° |
| O6 | C22 | C23 | H21 | 179.2° | 52.8° |
| C22 | C23 | C31 | H21 | 123.5° | 122.2° |
| C22 | C23 | C31 | C29 | 161.7° | 142.8° |
| C22 | C23 | C31 | O10 | 76.6° | 98.5° |
| C23 | C22 | H19 | H20 | 120.0° | 120.0° |
| C22 | C23 | C31 | H27 | 47.5° | 24.2° |
| C23 | C31 | C29 | O9 | 74.5° | 118.7° |
| C23 | C31 | C29 | O10 | 124.2° | 118.6° |
| C23 | C31 | C29 | H27 | 114.2° | 118.6° |
| C23 | C31 | O10 | H27 | 123.6° | 122.7° |
| C23 | C31 | O10 | P2 | 128.9° | 121.5° |
| C31 | C23 | C22 | H19 | 64.2° | 55.0° |
| C31 | C23 | C22 | H20 | 175.8° | 65.0° |
| C23 | C31 | C29 | H23 | 158.6° | 118.8° |
| O14 | C39 | N14 | C36 | 6.4° | 0.2° |
| O14 | C39 | N14 | C38 | 178.9° | 179.8° |
| O14 | C39 | N14 | C35 | 177.6° | 180.0° |
| O14 | C39 | C38 | C37 | 178.9° | 179.8° |
| O14 | C39 | C38 | H76 | 1.2° | 0.1° |
| C36 | N14 | C39 | C35 | 176.1° | 179.8° |
| C36 | N14 | C39 | C38 | 174.7° | 180.0° |
| C36 | N14 | C35 | O13 | 8.0° | 0.2° |
| C36 | N14 | C35 | N13 | 173.6° | 179.8° |
| N14 | C36 | H77 | H78 | 120.0° | 120.0° |
| N14 | C36 | H77 | H79 | 120.0° | 120.0° |
| N14 | C36 | H78 | H79 | 120.0° | 120.0° |
| N14 | C39 | C38 | C37 | 0.0° | 0.1° |
| C39 | N14 | C35 | O13 | 175.9° | 180.0° |
| C39 | N14 | C35 | N13 | 2.5° | 0.4° |
| N14 | C39 | C38 | H76 | 179.9° | 180.0° |
| C39 | N14 | C36 | H77 | 180.0° | 0.0° |
| C39 | N14 | C36 | H78 | 60.0° | 120.0° |
| C39 | N14 | C36 | H79 | 60.0° | 120.0° |
| C38 | C39 | N14 | C35 | 1.4° | 0.2° |
| C39 | C38 | C37 | H76 | 180.0° | 179.9° |
| C39 | C38 | C37 | N13 | 0.0° | 0.0° |
| C39 | C38 | C37 | H75 | 180.0° | 179.9° |
| O9 | C29 | C31 | H23 | 126.9° | 122.5° |
| O9 | C29 | C31 | O10 | 49.7° | 0.0° |
| C29 | O9 | C30 | H24 | 180.0° | 60.0° |
| C29 | O9 | C30 | H25 | 60.0° | 60.0° |
| C29 | O9 | C30 | H26 | 60.0° | 179.9° |
| O9 | C29 | C31 | H27 | 171.3° | 122.7° |
| O9 | C29 | C24 | H64 | 26.7° | 23.8° |
| C31 | C29 | O9 | C30 | 159.4° | 150.0° |
| C29 | C31 | O10 | H27 | 120.9° | 122.7° |
| C29 | C31 | O10 | P2 | 115.5° | 123.9° |
| C29 | C31 | C23 | H21 | 74.8° | 95.0° |
| C31 | C29 | C24 | H64 | 146.5° | 94.9° |
| N14 | C35 | O13 | N13 | 178.4° | 179.6° |
| N14 | C35 | N13 | C37 | 2.4° | 0.5° |
| N14 | C35 | N13 | C34 | 173.5° | 179.8° |
| C35 | N14 | C36 | H77 | 3.6° | 179.8° |
| C35 | N14 | C36 | H78 | 123.6° | 59.8° |
| C35 | N14 | C36 | H79 | 116.3° | 60.2° |
| C30 | O9 | C29 | H23 | 33.3° | 27.4° |
| O9 | C30 | H24 | H25 | 120.0° | 120.0° |
| O9 | C30 | H24 | H26 | 120.0° | 120.0° |
| O9 | C30 | H25 | H26 | 120.0° | 120.1° |
| C31 | O10 | P2 | O18 | 41.5° | 55.0° |
| C31 | O10 | P2 | O11 | 76.1° | 175.0° |
| C31 | O10 | P2 | O17 | 169.1° | 65.0° |
| O10 | C31 | C23 | H21 | 46.9° | 23.6° |
| O10 | C31 | C29 | H23 | 77.2° | 122.6° |
| C38 | C37 | N13 | C35 | 1.3° | 0.2° |
| C38 | C37 | N13 | H75 | 180.0° | 180.0° |
| C38 | C37 | N13 | C34 | 174.5° | 180.0° |
| O13 | C35 | N13 | C37 | 176.0° | 180.0° |
| O13 | C35 | N13 | C34 | 8.0° | 0.2° |
| C35 | N13 | C37 | C34 | 175.8° | 179.8° |
| C35 | N13 | C34 | O12 | 159.1° | 126.7° |
| C35 | N13 | C34 | C40 | 80.4° | 117.9° |
| C35 | N13 | C34 | H74 | 40.2° | 4.4° |
| C35 | N13 | C37 | H75 | 178.7° | 179.8° |
| C37 | N13 | C34 | O12 | 24.9° | 53.5° |
| C37 | N13 | C34 | C40 | 95.6° | 61.9° |
| C37 | N13 | C34 | H74 | 143.8° | 175.9° |
| N13 | C37 | C38 | H76 | 180.0° | 179.9° |
| N13 | C34 | O12 | C40 | 125.3° | 118.8° |
| N13 | C34 | O12 | H74 | 118.4° | 122.4° |
| N13 | C34 | C40 | H74 | 120.9° | 122.3° |
| N13 | C34 | O12 | C33 | 131.3° | 159.3° |
| N13 | C34 | C40 | O15 | 137.3° | 98.5° |
| N13 | C34 | C40 | C42 | 102.3° | 142.8° |
| N13 | C34 | C40 | H70 | 14.7° | 24.1° |
| C34 | N13 | C37 | H75 | 5.5° | 0.0° |
| O10 | P2 | O18 | O11 | 113.9° | 120.0° |
| O10 | P2 | O18 | O17 | 123.9° | 120.0° |
| O10 | P2 | O11 | O17 | 114.4° | 120.0° |
| O10 | P2 | O11 | C32 | 57.0° | 175.0° |
| P2 | O10 | C31 | H27 | 5.4° | 1.2° |
| O10 | P2 | O17 | H66 | 126.1° | 60.0° |
| O12 | C34 | C40 | H74 | 117.3° | 118.8° |
| C34 | O12 | C33 | C32 | 156.1° | 159.4° |
| C34 | O12 | C33 | C42 | 29.4° | 40.5° |
| O12 | C34 | C40 | O15 | 101.0° | 142.6° |
| O12 | C34 | C40 | C42 | 19.4° | 23.9° |
| C34 | O12 | C33 | H67 | 85.6° | 78.4° |
| O12 | C34 | C40 | H70 | 136.4° | 94.7° |
| C40 | C34 | O12 | C33 | 6.0° | 40.5° |
| C34 | C40 | C42 | C33 | 35.2° | 0.0° |
| C34 | C40 | O15 | C42 | 114.5° | 114.7° |
| C34 | C40 | O15 | H70 | 121.7° | 122.7° |
| C34 | C40 | C42 | H70 | 116.8° | 118.7° |
| C34 | C40 | O15 | C41 | 91.4° | 153.9° |
| C34 | C40 | C42 | O16 | 153.9° | 118.7° |
| C34 | C40 | C42 | H68 | 80.7° | 118.7° |
| O12 | C33 | C32 | O11 | 54.7° | 66.5° |
| O12 | C33 | C32 | C42 | 119.7° | 115.3° |
| O12 | C33 | C32 | H67 | 118.8° | 122.3° |
| O12 | C33 | C42 | H67 | 115.7° | 118.9° |
| O12 | C33 | C42 | C40 | 39.9° | 24.0° |
| O12 | C33 | C42 | O16 | 159.3° | 142.6° |
| O12 | C33 | C32 | H28 | 174.8° | 53.5° |
| O12 | C33 | C32 | H29 | 65.4° | 173.5° |
| O12 | C33 | C42 | H68 | 75.9° | 94.8° |
| C33 | O12 | C34 | H74 | 110.3° | 78.3° |
| O18 | P2 | O11 | O17 | 126.0° | 120.0° |
| O18 | P2 | O11 | C32 | 176.6° | 55.0° |
| O18 | P2 | O17 | H66 | 0.0° | 180.0° |
| P2 | O11 | C32 | C33 | 159.4° | 180.0° |
| P2 | O11 | C32 | H28 | 80.5° | 59.9° |
| P2 | O11 | C32 | H29 | 39.3° | 60.0° |
| O11 | P2 | O17 | H66 | 122.6° | 60.0° |
| O17 | P2 | O11 | C32 | 57.4° | 65.0° |
| O11 | C32 | C33 | H28 | 120.1° | 120.0° |
| O11 | C32 | C33 | H29 | 120.1° | 120.0° |
| O11 | C32 | C33 | C42 | 65.0° | 178.2° |
| O11 | C32 | H28 | H29 | 119.7° | 119.9° |
| O11 | C32 | C33 | H67 | 173.5° | 55.8° |
| C32 | C33 | C42 | H67 | 121.6° | 122.3° |
| C32 | C33 | C42 | C40 | 162.6° | 142.8° |
| C32 | C33 | C42 | O16 | 78.0° | 98.6° |
| C33 | C32 | H28 | H29 | 119.8° | 120.0° |
| C32 | C33 | C42 | H68 | 46.7° | 24.0° |
| C33 | C42 | C40 | O15 | 83.3° | 118.6° |
| C33 | C42 | C40 | O16 | 118.7° | 118.6° |
| C33 | C42 | C40 | H68 | 115.8° | 118.8° |
| C33 | C42 | O16 | H68 | 123.9° | 122.6° |
| C42 | C33 | C32 | H28 | 55.0° | 61.8° |
| C42 | C33 | C32 | H29 | 174.9° | 58.2° |
| C33 | C42 | O16 | H69 | 180.0° | 61.5° |
| C33 | C42 | C40 | H70 | 152.0° | 118.8° |
| O15 | C40 | C42 | H70 | 124.7° | 122.6° |
| O15 | C40 | C42 | O16 | 35.4° | 0.0° |
| O15 | C40 | C42 | H68 | 160.9° | 122.6° |
| C40 | O15 | C41 | H71 | 180.0° | 60.0° |
| C40 | O15 | C41 | H72 | 60.0° | 60.0° |
| C40 | O15 | C41 | H73 | 60.0° | 180.0° |
| O15 | C40 | C34 | H74 | 16.4° | 23.8° |
| C42 | C40 | O15 | C41 | 154.1° | 91.5° |
| C40 | C42 | O16 | H68 | 124.6° | 122.7° |
| C40 | C42 | C33 | H67 | 75.9° | 94.9° |
| C40 | C42 | O16 | H69 | 68.5° | 176.1° |
| C42 | C40 | C34 | H74 | 136.8° | 94.9° |
| C41 | O15 | C40 | H70 | 30.2° | 31.2° |
| O15 | C41 | H71 | H72 | 120.0° | 120.0° |
| O15 | C41 | H71 | H73 | 120.0° | 120.1° |
| O15 | C41 | H72 | H73 | 120.0° | 120.1° |
| O16 | C42 | C33 | H67 | 43.6° | 23.7° |
| O16 | C42 | C40 | H70 | 89.3° | 122.6° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H6 | C7 | C8 | H7 | 100.6° | 123.8° |
| H7 | C8 | C10 | H54 | 34.1° | 21.4° |
| H8 | C9 | H9 | H10 | 120.0° | 120.0° |
| H13 | C13 | C19 | H15 | 92.7° | 123.9° |
| H15 | C19 | C21 | H59 | 35.7° | 21.4° |
| H16 | C20 | H17 | H18 | 120.0° | 119.9° |
| H19 | C22 | C23 | H21 | 59.2° | 67.2° |
| H20 | C22 | C23 | H21 | 60.8° | 172.8° |
| H21 | C23 | C31 | H27 | 171.0° | 146.4° |
| H22 | C26 | C25 | H65 | 0.5° | 0.0° |
| H23 | C29 | C31 | H27 | 44.4° | 0.2° |
| H23 | C29 | C24 | H64 | 97.2° | 146.4° |
| H24 | C30 | H25 | H26 | 120.0° | 119.9° |
| H28 | C32 | C33 | H67 | 66.4° | 175.9° |
| H29 | C32 | C33 | H67 | 53.4° | 64.2° |
| H32 | C45 | C46 | H34 | 71.9° | 174.2° |
| H33 | C45 | C46 | H34 | 48.2° | 65.8° |
| H34 | C46 | C55 | H35 | 164.7° | 146.3° |
| H35 | C55 | O31 | H36 | 57.4° | 57.3° |
| H35 | C55 | C54 | H37 | 38.7° | 0.1° |
| H37 | C54 | O30 | H38 | 57.8° | 61.1° |
| H37 | C54 | C47 | H39 | 99.8° | 146.5° |
| H43 | C49 | H44 | H45 | 120.0° | 120.0° |
| H48 | C44 | C43 | H50 | 174.8° | 172.1° |
| H49 | C44 | C43 | H50 | 54.4° | 67.9° |
| H50 | C43 | C10 | H54 | 159.9° | 160.2° |
| H51 | C | H52 | H53 | 120.0° | 120.0° |
| H56 | C11 | C12 | H58 | 157.0° | 172.2° |
| H57 | C11 | C12 | H58 | 83.0° | 67.8° |
| H58 | C12 | C21 | H59 | 153.3° | 160.2° |
| H67 | C33 | C42 | H68 | 168.3° | 146.3° |
| H68 | C42 | O16 | H69 | 56.1° | 61.1° |
| H68 | C42 | C40 | H70 | 36.2° | 0.0° |
| H70 | C40 | C34 | H74 | 106.3° | 146.4° |
| H71 | C41 | H72 | H73 | 120.0° | 119.9° |
| H75 | C37 | C38 | H76 | 0.0° | 0.0° |
| H77 | C36 | H78 | H79 | 119.9° | 120.0° |
