A1AHN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N7 | C21 | sing | 1.38Å | 1.45Å | |
| N2 | C6 | sing | 1.46Å | 1.43Å | |
| N2 | C7 | sing | 1.35Å | 1.44Å | |
| C21 | N6 | doub | 1.33Å | 1.32Å | Aromatic |
| C21 | C20 | sing | 1.41Å | 1.35Å | Aromatic |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| N6 | C18 | sing | 1.32Å | 1.33Å | Aromatic |
| O2 | C7 | doub | 1.21Å | 1.16Å | |
| O1 | C1 | doub | 1.21Å | 1.18Å | |
| O15 | C32 | sing | 1.43Å | 1.40Å | |
| N5 | C20 | sing | 1.35Å | 1.48Å | Aromatic |
| N5 | C19 | doub | 1.30Å | 1.34Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C20 | C17 | doub | 1.40Å | 1.41Å | Aromatic |
| C5 | C1 | sing | 1.51Å | 1.51Å | |
| C1 | N1 | sing | 1.35Å | 1.45Å | |
| C32 | C29 | sing | 1.53Å | 1.49Å | |
| C18 | N4 | doub | 1.32Å | 1.33Å | Aromatic |
| C29 | O12 | sing | 1.44Å | 1.47Å | |
| C29 | C30 | sing | 1.55Å | 1.49Å | |
| C19 | N3 | sing | 1.36Å | 1.30Å | Aromatic |
| C8 | O3 | sing | 1.43Å | 1.38Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C17 | N4 | sing | 1.33Å | 1.30Å | Aromatic |
| C17 | N3 | sing | 1.37Å | 1.30Å | Aromatic |
| O12 | C28 | sing | 1.44Å | 1.47Å | |
| C11 | C9 | sing | 1.53Å | 1.50Å | |
| C11 | O20 | sing | 1.43Å | 1.37Å | |
| N3 | C16 | sing | 1.47Å | 1.41Å | |
| C26 | C27 | doub | 1.35Å | 1.40Å | |
| C26 | N9 | sing | 1.36Å | 1.42Å | |
| N1 | C2 | sing | 1.47Å | 1.44Å | |
| O13 | C30 | sing | 1.43Å | 1.43Å | |
| C27 | C24 | sing | 1.41Å | 1.43Å | |
| C9 | C33 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.50Å | |
| C30 | C31 | sing | 1.55Å | 1.47Å | |
| O21 | P1 | doub | 1.48Å | 1.43Å | |
| O20 | P1 | sing | 1.61Å | 1.61Å | |
| C23 | S2 | sing | 1.81Å | 1.81Å | |
| C23 | C22 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| P1 | O4 | sing | 1.61Å | 1.62Å | |
| P1 | O22 | sing | 1.61Å | 1.42Å | |
| C4 | C22 | sing | 1.51Å | 1.51Å | |
| C4 | S1 | sing | 1.81Å | 1.80Å | |
| C28 | N9 | sing | 1.47Å | 1.43Å | |
| C28 | C31 | sing | 1.54Å | 1.50Å | |
| N9 | C25 | sing | 1.35Å | 1.40Å | |
| C24 | S2 | sing | 1.76Å | 1.82Å | |
| C24 | N8 | doub | 1.33Å | 1.36Å | |
| O4 | P2 | sing | 1.61Å | 1.62Å | |
| O17 | P3 | sing | 1.61Å | 1.64Å | |
| C16 | C15 | sing | 1.55Å | 1.49Å | |
| C16 | O9 | sing | 1.44Å | 1.46Å | |
| C22 | O10 | doub | 1.21Å | 1.18Å | |
| C31 | O14 | sing | 1.43Å | 1.44Å | |
| C15 | O8 | sing | 1.43Å | 1.42Å | |
| C15 | C14 | sing | 1.55Å | 1.45Å | |
| O7 | P3 | sing | 1.61Å | 1.64Å | |
| O7 | C14 | sing | 1.43Å | 1.42Å | |
| O9 | C13 | sing | 1.44Å | 1.46Å | |
| O18 | P3 | doub | 1.48Å | 1.46Å | |
| C3 | S1 | sing | 1.81Å | 1.81Å | |
| P3 | O16 | sing | 1.61Å | 1.46Å | |
| C25 | N8 | sing | 1.33Å | 1.44Å | |
| C25 | O11 | doub | 1.22Å | 1.40Å | |
| C14 | C13 | sing | 1.54Å | 1.47Å | |
| O19 | P2 | doub | 1.48Å | 1.44Å | |
| P2 | O6 | sing | 1.61Å | 1.62Å | |
| P2 | O5 | sing | 1.61Å | 1.42Å | |
| C12 | C13 | sing | 1.53Å | 1.48Å | |
| C12 | O6 | sing | 1.43Å | 1.38Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.08Å | 1.08Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.08Å | 1.08Å | |
| C19 | H29 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.08Å | 1.08Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C30 | H38 | sing | 1.09Å | 1.10Å | |
| C31 | H39 | sing | 1.09Å | 1.10Å | |
| C32 | H43 | sing | 1.09Å | 1.10Å | |
| C32 | H42 | sing | 1.09Å | 1.10Å | |
| C33 | H46 | sing | 1.09Å | 1.10Å | |
| C33 | H47 | sing | 1.09Å | 1.10Å | |
| C33 | H45 | sing | 1.09Å | 1.10Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å | |
| N7 | H31 | sing | 0.97Å | 1.00Å | |
| N7 | H30 | sing | 0.97Å | 1.00Å | |
| O13 | H40 | sing | 0.97Å | 0.95Å | |
| O14 | H41 | sing | 0.97Å | 0.95Å | |
| O15 | H44 | sing | 0.97Å | 0.95Å | |
| O16 | H48 | sing | 0.97Å | 0.95Å | |
| O17 | H24 | sing | 0.97Å | 0.95Å | |
| O22 | H49 | sing | 0.97Å | 0.95Å | |
| O3 | H14 | sing | 0.97Å | 0.95Å | |
| O5 | H50 | sing | 0.97Å | 0.95Å | |
| O8 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N7 | C21 | N6 | 120.4° | 120.8° |
| N7 | C21 | C20 | 119.7° | 120.8° |
| C21 | N7 | H31 | 109.5° | 120.0° |
| C21 | N7 | H30 | 109.4° | 120.0° |
| C6 | N2 | C7 | 123.6° | 120.0° |
| N2 | C6 | C5 | 108.1° | 109.4° |
| N2 | C6 | H11 | 109.8° | 109.5° |
| N2 | C6 | H10 | 109.8° | 109.5° |
| C6 | N2 | H12 | 118.2° | 120.0° |
| N2 | C7 | O2 | 115.8° | 120.0° |
| N2 | C7 | C8 | 125.7° | 120.0° |
| C7 | N2 | H12 | 118.2° | 120.0° |
| N6 | C21 | C20 | 119.9° | 118.4° |
| C21 | N6 | C18 | 117.1° | 121.2° |
| C21 | C20 | N5 | 133.9° | 134.7° |
| C21 | C20 | C17 | 117.2° | 118.2° |
| C6 | C5 | C1 | 104.8° | 109.4° |
| C6 | C5 | H9 | 110.6° | 109.4° |
| C6 | C5 | H8 | 110.6° | 109.4° |
| C5 | C6 | H11 | 109.8° | 109.4° |
| C5 | C6 | H10 | 109.8° | 109.4° |
| N6 | C18 | N4 | 129.1° | 122.5° |
| N6 | C18 | H28 | 115.4° | 118.8° |
| O2 | C7 | C8 | 118.5° | 120.0° |
| O1 | C1 | C5 | 117.1° | 120.0° |
| O1 | C1 | N1 | 118.5° | 120.0° |
| O15 | C32 | C29 | 109.7° | 109.5° |
| O15 | C32 | H43 | 109.5° | 109.5° |
| O15 | C32 | H42 | 109.4° | 109.4° |
| C32 | O15 | H44 | 109.5° | 114.1° |
| C20 | N5 | C19 | 100.9° | 109.4° |
| N5 | C20 | C17 | 108.8° | 107.2° |
| N5 | C19 | N3 | 111.9° | 110.0° |
| N5 | C19 | H29 | 124.1° | 125.0° |
| C7 | C8 | O3 | 108.9° | 109.5° |
| C7 | C8 | C9 | 112.7° | 109.4° |
| C7 | C8 | H13 | 109.2° | 109.4° |
| C20 | C17 | N4 | 124.9° | 119.1° |
| C20 | C17 | N3 | 103.1° | 106.0° |
| C5 | C1 | N1 | 124.4° | 120.0° |
| C1 | C5 | H9 | 110.6° | 109.5° |
| C1 | C5 | H8 | 110.6° | 109.5° |
| C1 | N1 | C2 | 123.7° | 120.0° |
| C1 | N1 | H1 | 118.1° | 120.0° |
| C32 | C29 | O12 | 110.2° | 110.4° |
| C32 | C29 | C30 | 108.6° | 110.3° |
| C32 | C29 | H37 | 110.1° | 110.4° |
| C29 | C32 | H43 | 109.4° | 109.5° |
| C29 | C32 | H42 | 109.4° | 109.5° |
| C18 | N4 | C17 | 111.7° | 120.6° |
| N4 | C18 | H28 | 115.4° | 118.7° |
| O12 | C29 | C30 | 107.5° | 104.7° |
| C29 | O12 | C28 | 107.4° | 105.3° |
| O12 | C29 | H37 | 110.4° | 110.4° |
| C29 | C30 | O13 | 110.1° | 110.5° |
| C29 | C30 | C31 | 105.7° | 104.1° |
| C30 | C29 | H37 | 110.0° | 110.4° |
| C29 | C30 | H38 | 109.7° | 110.6° |
| C19 | N3 | C17 | 115.3° | 107.5° |
| C19 | N3 | C16 | 121.0° | 126.3° |
| N3 | C19 | H29 | 124.0° | 125.1° |
| O3 | C8 | C9 | 105.7° | 109.5° |
| O3 | C8 | H13 | 111.1° | 109.5° |
| C8 | O3 | H14 | 109.5° | 114.0° |
| C8 | C9 | C11 | 112.2° | 109.5° |
| C8 | C9 | C33 | 112.1° | 109.5° |
| C8 | C9 | C10 | 107.6° | 109.4° |
| C9 | C8 | H13 | 109.2° | 109.5° |
| N4 | C17 | N3 | 132.0° | 134.9° |
| C17 | N3 | C16 | 123.7° | 126.3° |
| O12 | C28 | N9 | 112.7° | 110.4° |
| O12 | C28 | C31 | 103.6° | 104.8° |
| O12 | C28 | H36 | 109.3° | 110.4° |
| C9 | C11 | O20 | 107.2° | 109.4° |
| C11 | C9 | C33 | 111.6° | 109.5° |
| C11 | C9 | C10 | 106.1° | 109.5° |
| C9 | C11 | H18 | 110.0° | 109.5° |
| C9 | C11 | H19 | 110.0° | 109.4° |
| C11 | O20 | P1 | 118.2° | 123.0° |
| O20 | C11 | H18 | 110.0° | 109.5° |
| O20 | C11 | H19 | 110.0° | 109.5° |
| N3 | C16 | C15 | 110.2° | 110.4° |
| N3 | C16 | O9 | 109.3° | 110.4° |
| N3 | C16 | H27 | 111.0° | 110.3° |
| C27 | C26 | N9 | 120.7° | 119.3° |
| C26 | C27 | C24 | 120.5° | 119.0° |
| C27 | C26 | H34 | 119.7° | 120.4° |
| C26 | C27 | H35 | 119.8° | 120.5° |
| C26 | N9 | C28 | 121.9° | 119.8° |
| C26 | N9 | C25 | 118.2° | 120.3° |
| N9 | C26 | H34 | 119.6° | 120.4° |
| N1 | C2 | C3 | 107.3° | 109.5° |
| C2 | N1 | H1 | 118.1° | 120.0° |
| N1 | C2 | H2 | 110.0° | 109.4° |
| N1 | C2 | H3 | 110.0° | 109.5° |
| O13 | C30 | C31 | 110.6° | 110.5° |
| O13 | C30 | H38 | 110.5° | 110.6° |
| C30 | O13 | H40 | 109.5° | 113.9° |
| C27 | C24 | S2 | 121.0° | 120.2° |
| C27 | C24 | N8 | 119.0° | 119.6° |
| C24 | C27 | H35 | 119.8° | 120.5° |
| C33 | C9 | C10 | 106.7° | 109.5° |
| C9 | C33 | H46 | 109.5° | 109.5° |
| C9 | C33 | H47 | 109.5° | 109.5° |
| C9 | C33 | H45 | 109.5° | 109.5° |
| C9 | C10 | H16 | 109.5° | 109.5° |
| C9 | C10 | H15 | 109.4° | 109.5° |
| C9 | C10 | H17 | 109.5° | 109.5° |
| C30 | C31 | C28 | 106.3° | 104.1° |
| C30 | C31 | O14 | 108.7° | 110.5° |
| C31 | C30 | H38 | 110.0° | 110.5° |
| C30 | C31 | H39 | 110.8° | 110.6° |
| O21 | P1 | O20 | 111.3° | 109.5° |
| O21 | P1 | O4 | 112.9° | 109.5° |
| O21 | P1 | O22 | 101.2° | 109.5° |
| O20 | P1 | O4 | 112.4° | 109.5° |
| O20 | P1 | O22 | 107.3° | 109.4° |
| S2 | C23 | C22 | 110.6° | 109.5° |
| C23 | S2 | C24 | 110.8° | 100.0° |
| S2 | C23 | H33 | 109.2° | 109.5° |
| S2 | C23 | H32 | 109.2° | 109.5° |
| C23 | C22 | C4 | 119.2° | 120.0° |
| C23 | C22 | O10 | 122.2° | 120.0° |
| C22 | C23 | H33 | 109.2° | 109.4° |
| C22 | C23 | H32 | 109.2° | 109.4° |
| C2 | C3 | S1 | 108.6° | 109.4° |
| C3 | C2 | H2 | 110.0° | 109.5° |
| C3 | C2 | H3 | 110.0° | 109.5° |
| C2 | C3 | H4 | 109.7° | 109.5° |
| C2 | C3 | H5 | 109.7° | 109.5° |
| O4 | P1 | O22 | 111.0° | 109.4° |
| P1 | O4 | P2 | 121.7° | 134.0° |
| P1 | O22 | H49 | 109.5° | 114.0° |
| C22 | C4 | S1 | 107.5° | 109.5° |
| C4 | C22 | O10 | 118.6° | 119.9° |
| C22 | C4 | H6 | 109.9° | 109.5° |
| C22 | C4 | H7 | 109.9° | 109.5° |
| C4 | S1 | C3 | 108.6° | 103.0° |
| S1 | C4 | H6 | 110.0° | 109.5° |
| S1 | C4 | H7 | 110.0° | 109.5° |
| N9 | C28 | C31 | 112.3° | 110.4° |
| C28 | N9 | C25 | 119.9° | 119.9° |
| N9 | C28 | H36 | 109.8° | 110.3° |
| C28 | C31 | O14 | 109.3° | 110.5° |
| C31 | C28 | H36 | 108.9° | 110.4° |
| C28 | C31 | H39 | 110.3° | 110.5° |
| N9 | C25 | N8 | 120.6° | 121.1° |
| N9 | C25 | O11 | 121.0° | 119.4° |
| S2 | C24 | N8 | 120.1° | 120.2° |
| C24 | N8 | C25 | 121.1° | 120.8° |
| O4 | P2 | O19 | 115.5° | 109.4° |
| O4 | P2 | O6 | 111.1° | 109.5° |
| O4 | P2 | O5 | 110.8° | 109.5° |
| O17 | P3 | O7 | 108.4° | 109.5° |
| O17 | P3 | O18 | 111.6° | 109.4° |
| O17 | P3 | O16 | 111.3° | 109.5° |
| P3 | O17 | H24 | 109.5° | 114.0° |
| C15 | C16 | O9 | 106.0° | 104.7° |
| C16 | C15 | O8 | 109.3° | 110.6° |
| C16 | C15 | C14 | 108.6° | 104.0° |
| C16 | C15 | H25 | 109.8° | 110.6° |
| C15 | C16 | H27 | 109.9° | 110.4° |
| C16 | O9 | C13 | 107.7° | 105.3° |
| O9 | C16 | H27 | 110.3° | 110.5° |
| O14 | C31 | H39 | 111.2° | 110.6° |
| C31 | O14 | H41 | 109.5° | 114.0° |
| O8 | C15 | C14 | 108.1° | 110.5° |
| O8 | C15 | H25 | 110.7° | 110.5° |
| C15 | O8 | H26 | 109.5° | 114.0° |
| C15 | C14 | O7 | 108.5° | 110.5° |
| C15 | C14 | C13 | 106.7° | 104.1° |
| C14 | C15 | H25 | 110.3° | 110.5° |
| C15 | C14 | H23 | 110.6° | 110.5° |
| P3 | O7 | C14 | 119.3° | 123.0° |
| O7 | P3 | O18 | 111.8° | 109.5° |
| O7 | P3 | O16 | 112.4° | 109.5° |
| O7 | C14 | C13 | 109.5° | 110.6° |
| O7 | C14 | H23 | 111.1° | 110.5° |
| O9 | C13 | C14 | 107.0° | 104.9° |
| O9 | C13 | C12 | 107.4° | 110.3° |
| O9 | C13 | H22 | 110.1° | 110.4° |
| O18 | P3 | O16 | 101.2° | 109.5° |
| S1 | C3 | H4 | 109.7° | 109.4° |
| S1 | C3 | H5 | 109.7° | 109.4° |
| P3 | O16 | H48 | 109.5° | 114.0° |
| N8 | C25 | O11 | 118.4° | 119.5° |
| C14 | C13 | C12 | 112.4° | 110.4° |
| C14 | C13 | H22 | 110.0° | 110.4° |
| C13 | C14 | H23 | 110.3° | 110.5° |
| O19 | P2 | O6 | 109.0° | 109.5° |
| O19 | P2 | O5 | 98.3° | 109.5° |
| O6 | P2 | O5 | 111.5° | 109.5° |
| P2 | O6 | C12 | 118.4° | 123.0° |
| P2 | O5 | H50 | 109.5° | 114.0° |
| C13 | C12 | O6 | 105.1° | 109.4° |
| C12 | C13 | H22 | 109.8° | 110.4° |
| C13 | C12 | H21 | 110.6° | 109.4° |
| C13 | C12 | H20 | 110.6° | 109.5° |
| O6 | C12 | H21 | 110.5° | 109.5° |
| O6 | C12 | H20 | 110.5° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.4° |
| H9 | C5 | H8 | 109.5° | 109.5° |
| H11 | C6 | H10 | 109.5° | 109.5° |
| H16 | C10 | H15 | 109.5° | 109.5° |
| H16 | C10 | H17 | 109.5° | 109.4° |
| H15 | C10 | H17 | 109.5° | 109.4° |
| H18 | C11 | H19 | 109.5° | 109.5° |
| H21 | C12 | H20 | 109.5° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| H33 | C23 | H32 | 109.5° | 109.4° |
| H4 | C3 | H5 | 109.4° | 109.5° |
| H43 | C32 | H42 | 109.5° | 109.5° |
| H46 | C33 | H47 | 109.5° | 109.5° |
| H46 | C33 | H45 | 109.4° | 109.4° |
| H47 | C33 | H45 | 109.5° | 109.5° |
| H31 | N7 | H30 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N7 | C21 | N6 | C20 | 179.9° | 179.9° |
| N7 | C21 | N6 | C18 | 179.9° | 179.9° |
| N7 | C21 | C20 | N5 | 0.1° | 0.1° |
| N7 | C21 | C20 | C17 | 179.9° | 180.0° |
| C21 | N7 | H31 | H30 | 120.0° | 180.0° |
| C6 | N2 | C7 | H12 | 180.0° | 180.0° |
| N2 | C6 | C5 | H11 | 119.8° | 120.0° |
| N2 | C6 | C5 | H10 | 119.8° | 120.0° |
| C6 | N2 | C7 | O2 | 179.7° | 5.2° |
| C6 | N2 | C7 | C8 | 0.3° | 174.9° |
| N2 | C6 | C5 | C1 | 167.3° | 180.0° |
| N2 | C6 | C5 | H9 | 73.4° | 60.0° |
| N2 | C6 | C5 | H8 | 48.0° | 60.0° |
| N2 | C6 | H11 | H10 | 120.7° | 120.1° |
| C7 | N2 | C6 | C5 | 93.4° | 180.0° |
| N2 | C7 | O2 | C8 | 179.4° | 179.9° |
| N2 | C7 | C8 | O3 | 40.0° | 167.9° |
| N2 | C7 | C8 | C9 | 156.9° | 72.1° |
| C7 | N2 | C6 | H11 | 26.4° | 60.0° |
| C7 | N2 | C6 | H10 | 146.8° | 60.1° |
| N2 | C7 | C8 | H13 | 81.6° | 47.8° |
| N6 | C21 | C20 | N5 | 180.0° | 180.0° |
| N6 | C21 | C20 | C17 | 0.0° | 0.0° |
| C21 | N6 | C18 | N4 | 0.1° | 0.0° |
| C21 | N6 | C18 | H28 | 179.9° | 180.0° |
| N6 | C21 | N7 | H31 | 0.0° | 0.1° |
| N6 | C21 | N7 | H30 | 120.0° | 180.0° |
| C20 | C21 | N6 | C18 | 0.0° | 0.0° |
| C21 | C20 | N5 | C17 | 180.0° | 179.9° |
| C21 | C20 | N5 | C19 | 179.8° | 179.7° |
| C21 | C20 | C17 | N4 | 0.1° | 0.1° |
| C21 | C20 | C17 | N3 | 180.0° | 180.0° |
| C20 | C21 | N7 | H31 | 179.9° | 180.0° |
| C20 | C21 | N7 | H30 | 59.9° | 0.1° |
| C6 | C5 | C1 | O1 | 59.7° | 0.1° |
| C6 | C5 | C1 | H9 | 119.3° | 120.0° |
| C6 | C5 | C1 | H8 | 119.3° | 119.9° |
| C6 | C5 | C1 | N1 | 121.3° | 180.0° |
| C6 | C5 | H9 | H8 | 122.2° | 120.0° |
| C5 | C6 | H11 | H10 | 120.6° | 120.0° |
| C5 | C6 | N2 | H12 | 86.6° | 0.0° |
| N6 | C18 | N4 | H28 | 180.0° | 179.9° |
| N6 | C18 | N4 | C17 | 0.2° | 0.0° |
| O2 | C7 | C8 | O3 | 140.7° | 12.2° |
| O2 | C7 | C8 | C9 | 23.8° | 107.8° |
| O2 | C7 | C8 | H13 | 97.8° | 132.2° |
| O2 | C7 | N2 | H12 | 0.4° | 174.8° |
| O1 | C1 | C5 | N1 | 179.0° | 180.0° |
| O1 | C1 | N1 | C2 | 179.9° | 0.0° |
| O1 | C1 | N1 | H1 | 0.2° | 179.7° |
| O1 | C1 | C5 | H9 | 59.5° | 119.9° |
| O1 | C1 | C5 | H8 | 179.0° | 120.0° |
| O15 | C32 | C29 | H43 | 120.0° | 120.0° |
| O15 | C32 | C29 | H42 | 120.0° | 119.9° |
| O15 | C32 | C29 | O12 | 168.2° | 66.5° |
| O15 | C32 | C29 | C30 | 74.4° | 178.2° |
| O15 | C32 | C29 | H37 | 46.1° | 55.9° |
| O15 | C32 | H43 | H42 | 119.9° | 119.9° |
| C20 | N5 | C19 | N3 | 0.4° | 0.4° |
| N5 | C20 | C17 | N4 | 179.9° | 180.0° |
| N5 | C20 | C17 | N3 | 0.0° | 0.0° |
| C20 | N5 | C19 | H29 | 179.7° | 179.7° |
| C19 | N5 | C20 | C17 | 0.2° | 0.2° |
| N5 | C19 | N3 | H29 | 180.0° | 179.8° |
| N5 | C19 | N3 | C17 | 0.4° | 0.4° |
| N5 | C19 | N3 | C16 | 179.3° | 179.8° |
| C7 | C8 | O3 | C9 | 121.3° | 120.0° |
| C7 | C8 | O3 | H13 | 120.3° | 120.0° |
| C7 | C8 | C9 | H13 | 121.6° | 119.9° |
| C7 | C8 | C9 | C11 | 78.1° | 54.5° |
| C7 | C8 | C9 | C33 | 48.5° | 65.6° |
| C7 | C8 | C9 | C10 | 165.5° | 174.5° |
| C8 | C7 | N2 | H12 | 179.7° | 5.1° |
| C7 | C8 | O3 | H14 | 180.0° | 60.0° |
| C20 | C17 | N4 | C18 | 0.2° | 0.0° |
| C20 | C17 | N3 | C19 | 0.2° | 0.3° |
| C20 | C17 | N4 | N3 | 179.8° | 180.0° |
| C20 | C17 | N3 | C16 | 179.5° | 180.0° |
| C5 | C1 | N1 | C2 | 0.9° | 180.0° |
| C5 | C1 | N1 | H1 | 179.1° | 0.3° |
| C1 | C5 | H9 | H8 | 122.1° | 120.1° |
| C1 | C5 | C6 | H11 | 47.5° | 60.0° |
| C1 | C5 | C6 | H10 | 72.9° | 60.0° |
| C1 | N1 | C2 | H1 | 180.0° | 179.7° |
| C1 | N1 | C2 | C3 | 148.1° | 179.7° |
| N1 | C1 | C5 | H9 | 119.5° | 60.1° |
| N1 | C1 | C5 | H8 | 2.0° | 60.0° |
| C1 | N1 | C2 | H2 | 28.4° | 60.3° |
| C1 | N1 | C2 | H3 | 92.3° | 59.6° |
| C32 | C29 | O12 | C30 | 118.2° | 118.8° |
| C32 | C29 | O12 | H37 | 121.8° | 122.4° |
| C32 | C29 | C30 | H37 | 120.5° | 122.3° |
| C32 | C29 | O12 | C28 | 130.3° | 159.3° |
| C32 | C29 | C30 | O13 | 128.8° | 98.6° |
| C32 | C29 | C30 | C31 | 111.7° | 142.8° |
| C32 | C29 | C30 | H38 | 6.9° | 24.1° |
| C29 | C32 | H43 | H42 | 119.9° | 120.0° |
| C29 | C32 | O15 | H44 | 180.0° | 180.0° |
| C18 | N4 | C17 | N3 | 180.0° | 180.0° |
| O12 | C29 | C30 | H37 | 120.2° | 118.9° |
| O12 | C29 | C30 | O13 | 112.0° | 142.6° |
| O12 | C29 | C30 | C31 | 7.5° | 24.0° |
| C29 | O12 | C28 | N9 | 95.3° | 78.3° |
| C29 | O12 | C28 | C31 | 26.4° | 40.5° |
| C29 | O12 | C28 | H36 | 142.3° | 159.5° |
| O12 | C29 | C30 | H38 | 126.2° | 94.7° |
| O12 | C29 | C32 | H43 | 71.8° | 53.5° |
| O12 | C29 | C32 | H42 | 48.1° | 173.5° |
| C30 | C29 | O12 | C28 | 12.1° | 40.5° |
| C29 | C30 | O13 | C31 | 116.5° | 114.6° |
| C29 | C30 | O13 | H38 | 121.4° | 122.7° |
| C29 | C30 | C31 | H38 | 118.4° | 118.7° |
| C29 | C30 | C31 | C28 | 23.9° | 0.1° |
| C29 | C30 | C31 | O14 | 93.6° | 118.6° |
| C29 | C30 | C31 | H39 | 143.8° | 118.6° |
| C30 | C29 | C32 | H43 | 45.7° | 61.8° |
| C30 | C29 | C32 | H42 | 165.6° | 58.2° |
| C29 | C30 | O13 | H40 | 180.0° | 61.5° |
| C19 | N3 | C17 | N4 | 179.6° | 179.7° |
| C19 | N3 | C17 | C16 | 179.7° | 179.7° |
| C19 | N3 | C16 | C15 | 59.4° | 94.7° |
| C19 | N3 | C16 | O9 | 56.7° | 20.6° |
| C19 | N3 | C16 | H27 | 178.6° | 143.0° |
| O3 | C8 | C9 | H13 | 119.6° | 120.1° |
| O3 | C8 | C9 | C11 | 163.1° | 65.5° |
| O3 | C8 | C9 | C33 | 70.3° | 174.5° |
| O3 | C8 | C9 | C10 | 46.7° | 54.5° |
| C8 | C9 | C11 | C33 | 126.8° | 120.0° |
| C8 | C9 | C11 | C10 | 117.3° | 120.0° |
| C8 | C9 | C11 | O20 | 156.6° | 179.9° |
| C8 | C9 | C33 | C10 | 117.6° | 120.0° |
| C8 | C9 | C10 | H16 | 180.0° | 57.0° |
| C8 | C9 | C10 | H15 | 60.0° | 177.1° |
| C8 | C9 | C10 | H17 | 60.0° | 62.9° |
| C8 | C9 | C11 | H18 | 36.9° | 60.0° |
| C8 | C9 | C11 | H19 | 83.8° | 60.0° |
| C8 | C9 | C33 | H46 | 180.0° | 52.7° |
| C8 | C9 | C33 | H47 | 60.0° | 172.8° |
| C8 | C9 | C33 | H45 | 60.0° | 67.2° |
| C9 | C8 | O3 | H14 | 58.7° | 60.0° |
| N4 | C17 | N3 | C16 | 0.7° | 0.0° |
| C17 | N4 | C18 | H28 | 179.8° | 180.0° |
| C17 | N3 | C16 | C15 | 120.3° | 85.0° |
| C17 | N3 | C16 | O9 | 123.7° | 159.7° |
| C17 | N3 | C16 | H27 | 1.7° | 37.3° |
| C17 | N3 | C19 | H29 | 179.6° | 179.7° |
| O12 | C28 | N9 | C26 | 3.5° | 3.6° |
| O12 | C28 | C31 | C30 | 31.2° | 23.9° |
| O12 | C28 | N9 | C31 | 116.6° | 115.4° |
| O12 | C28 | N9 | H36 | 122.1° | 122.3° |
| O12 | C28 | C31 | H36 | 116.3° | 118.9° |
| O12 | C28 | N9 | C25 | 176.4° | 176.1° |
| O12 | C28 | C31 | O14 | 86.0° | 94.6° |
| C28 | O12 | C29 | H37 | 107.9° | 78.3° |
| O12 | C28 | C31 | H39 | 151.4° | 142.6° |
| C9 | C11 | O20 | H18 | 119.7° | 119.9° |
| C9 | C11 | O20 | H19 | 119.7° | 120.0° |
| C11 | C9 | C33 | C10 | 115.5° | 120.0° |
| C9 | C11 | O20 | P1 | 141.3° | 180.0° |
| C11 | C9 | C8 | H13 | 43.5° | 174.4° |
| C11 | C9 | C10 | H16 | 59.7° | 63.0° |
| C11 | C9 | C10 | H15 | 60.3° | 57.1° |
| C11 | C9 | C10 | H17 | 179.7° | 177.1° |
| C9 | C11 | H18 | H19 | 121.0° | 120.0° |
| C11 | C9 | C33 | H46 | 53.1° | 172.8° |
| C11 | C9 | C33 | H47 | 173.1° | 67.2° |
| C11 | C9 | C33 | H45 | 66.9° | 52.8° |
| O20 | C11 | C9 | C33 | 29.7° | 60.0° |
| O20 | C11 | C9 | C10 | 86.2° | 60.0° |
| C11 | O20 | P1 | O21 | 40.7° | 55.0° |
| C11 | O20 | P1 | O4 | 168.5° | 175.0° |
| C11 | O20 | P1 | O22 | 69.1° | 65.0° |
| O20 | C11 | H18 | H19 | 121.0° | 120.1° |
| N3 | C16 | C15 | O9 | 118.2° | 118.8° |
| N3 | C16 | C15 | H27 | 122.6° | 122.3° |
| N3 | C16 | O9 | H27 | 122.4° | 122.3° |
| N3 | C16 | C15 | O8 | 118.2° | 98.6° |
| N3 | C16 | C15 | C14 | 124.0° | 142.8° |
| N3 | C16 | O9 | C13 | 135.0° | 159.3° |
| N3 | C16 | C15 | H25 | 3.4° | 24.1° |
| C16 | N3 | C19 | H29 | 0.7° | 0.0° |
| C27 | C26 | N9 | H34 | 180.0° | 180.0° |
| C26 | C27 | C24 | H35 | 180.0° | 180.0° |
| C27 | C26 | N9 | C28 | 179.6° | 180.0° |
| C27 | C26 | N9 | C25 | 0.5° | 0.3° |
| C26 | C27 | C24 | S2 | 180.0° | 180.0° |
| C26 | C27 | C24 | N8 | 0.3° | 0.3° |
| N9 | C26 | C27 | C24 | 0.3° | 0.0° |
| C26 | N9 | C28 | C25 | 179.9° | 179.8° |
| C26 | N9 | C28 | C31 | 113.1° | 111.8° |
| C26 | N9 | C25 | N8 | 0.6° | 0.3° |
| C26 | N9 | C25 | O11 | 179.8° | 179.7° |
| C26 | N9 | C28 | H36 | 125.5° | 125.9° |
| N9 | C26 | C27 | H35 | 179.7° | 180.0° |
| N1 | C2 | C3 | H2 | 119.6° | 119.9° |
| N1 | C2 | C3 | H3 | 119.6° | 120.0° |
| N1 | C2 | C3 | S1 | 31.5° | 180.0° |
| N1 | C2 | H2 | H3 | 121.0° | 119.9° |
| N1 | C2 | C3 | H4 | 88.3° | 60.1° |
| N1 | C2 | C3 | H5 | 151.4° | 60.0° |
| O13 | C30 | C31 | H38 | 122.4° | 122.7° |
| O13 | C30 | C31 | C28 | 95.2° | 118.6° |
| O13 | C30 | C31 | O14 | 147.2° | 122.8° |
| O13 | C30 | C29 | H37 | 8.3° | 23.7° |
| O13 | C30 | C31 | H39 | 24.6° | 0.0° |
| C27 | C24 | S2 | C23 | 52.0° | 179.7° |
| C27 | C24 | S2 | N8 | 179.6° | 179.7° |
| C27 | C24 | N8 | C25 | 0.5° | 0.3° |
| C24 | C27 | C26 | H34 | 179.6° | 180.0° |
| C33 | C9 | C8 | H13 | 170.1° | 54.4° |
| C33 | C9 | C10 | H16 | 59.5° | 177.0° |
| C33 | C9 | C10 | H15 | 179.5° | 62.9° |
| C33 | C9 | C10 | H17 | 60.5° | 57.1° |
| C33 | C9 | C11 | H18 | 89.9° | 180.0° |
| C33 | C9 | C11 | H19 | 149.4° | 60.0° |
| C9 | C33 | H46 | H47 | 120.0° | 120.1° |
| C9 | C33 | H46 | H45 | 120.0° | 120.0° |
| C9 | C33 | H47 | H45 | 120.0° | 120.0° |
| C10 | C9 | C8 | H13 | 72.9° | 65.6° |
| C9 | C10 | H16 | H15 | 120.0° | 120.0° |
| C9 | C10 | H16 | H17 | 120.0° | 120.0° |
| C9 | C10 | H15 | H17 | 120.0° | 120.0° |
| C10 | C9 | C11 | H18 | 154.2° | 60.0° |
| C10 | C9 | C11 | H19 | 33.5° | 180.0° |
| C10 | C9 | C33 | H46 | 62.5° | 67.2° |
| C10 | C9 | C33 | H47 | 57.6° | 52.8° |
| C10 | C9 | C33 | H45 | 177.6° | 172.8° |
| C30 | C31 | C28 | N9 | 90.7° | 94.9° |
| C30 | C31 | C28 | O14 | 117.2° | 118.6° |
| C30 | C31 | C28 | H39 | 120.2° | 118.7° |
| C30 | C31 | O14 | H39 | 122.3° | 122.7° |
| C30 | C31 | C28 | H36 | 147.4° | 142.9° |
| C31 | C30 | C29 | H37 | 127.8° | 94.8° |
| C31 | C30 | O13 | H40 | 63.5° | 176.1° |
| C30 | C31 | O14 | H41 | 180.0° | 65.4° |
| O21 | P1 | O20 | O4 | 127.8° | 120.0° |
| O21 | P1 | O20 | O22 | 109.8° | 120.1° |
| O21 | P1 | O4 | O22 | 112.8° | 120.0° |
| O21 | P1 | O4 | P2 | 101.0° | 45.0° |
| O21 | P1 | O22 | H49 | 0.0° | 180.0° |
| O20 | P1 | O4 | O22 | 120.2° | 119.9° |
| O20 | P1 | O4 | P2 | 132.1° | 165.0° |
| P1 | O20 | C11 | H18 | 99.1° | 60.0° |
| P1 | O20 | C11 | H19 | 21.6° | 60.0° |
| O20 | P1 | O22 | H49 | 116.7° | 59.9° |
| S2 | C23 | C22 | H33 | 120.2° | 120.0° |
| S2 | C23 | C22 | H32 | 120.2° | 120.1° |
| S2 | C23 | C22 | C4 | 163.6° | 180.0° |
| C23 | S2 | C24 | N8 | 128.4° | 0.0° |
| S2 | C23 | C22 | O10 | 16.3° | 0.0° |
| S2 | C23 | H33 | H32 | 119.5° | 120.0° |
| C23 | C22 | C4 | O10 | 179.9° | 180.0° |
| C23 | C22 | C4 | S1 | 152.8° | 180.0° |
| C22 | C23 | S2 | C24 | 110.1° | 180.0° |
| C23 | C22 | C4 | H6 | 87.5° | 60.0° |
| C23 | C22 | C4 | H7 | 33.1° | 60.0° |
| C22 | C23 | H33 | H32 | 119.5° | 119.9° |
| C2 | C3 | S1 | C4 | 96.9° | 180.0° |
| C2 | C3 | S1 | H4 | 119.9° | 120.0° |
| C2 | C3 | S1 | H5 | 119.9° | 120.0° |
| C3 | C2 | N1 | H1 | 31.9° | 0.0° |
| C3 | C2 | H2 | H3 | 121.0° | 120.1° |
| C2 | C3 | H4 | H5 | 120.4° | 120.1° |
| P1 | O4 | P2 | O19 | 120.9° | 40.0° |
| P1 | O4 | P2 | O6 | 114.3° | 160.0° |
| P1 | O4 | P2 | O5 | 10.2° | 80.0° |
| O4 | P1 | O22 | H49 | 120.1° | 60.0° |
| O22 | P1 | O4 | P2 | 11.9° | 75.0° |
| C22 | C4 | S1 | H6 | 119.7° | 120.0° |
| C22 | C4 | S1 | H7 | 119.7° | 120.0° |
| C22 | C4 | S1 | C3 | 162.1° | 180.0° |
| C22 | C4 | H6 | H7 | 120.9° | 120.0° |
| C4 | C22 | C23 | H33 | 43.4° | 60.0° |
| C4 | C22 | C23 | H32 | 76.2° | 59.9° |
| S1 | C4 | C22 | O10 | 27.3° | 0.0° |
| S1 | C4 | H6 | H7 | 120.9° | 120.0° |
| C4 | S1 | C3 | H4 | 23.0° | 60.0° |
| C4 | S1 | C3 | H5 | 143.2° | 60.0° |
| N9 | C28 | C31 | H36 | 121.8° | 122.2° |
| N9 | C28 | C31 | O14 | 152.1° | 146.5° |
| C28 | N9 | C25 | N8 | 179.5° | 180.0° |
| C28 | N9 | C25 | O11 | 0.1° | 0.1° |
| C28 | N9 | C26 | H34 | 0.4° | 0.0° |
| N9 | C28 | C31 | H39 | 29.5° | 23.8° |
| C31 | C28 | N9 | C25 | 67.0° | 68.4° |
| C28 | C31 | O14 | H39 | 122.0° | 122.7° |
| C28 | C31 | C30 | H38 | 142.4° | 118.7° |
| C28 | C31 | O14 | H41 | 64.3° | 180.0° |
| N9 | C25 | N8 | C24 | 0.6° | 0.0° |
| N9 | C25 | N8 | O11 | 179.7° | 180.0° |
| C25 | N9 | C26 | H34 | 179.5° | 179.7° |
| C25 | N9 | C28 | H36 | 54.4° | 53.8° |
| S2 | C24 | N8 | C25 | 179.9° | 180.0° |
| C24 | S2 | C23 | H33 | 10.1° | 60.0° |
| C24 | S2 | C23 | H32 | 129.8° | 60.0° |
| S2 | C24 | C27 | H35 | 0.0° | 0.0° |
| C24 | N8 | C25 | O11 | 179.7° | 180.0° |
| N8 | C24 | C27 | H35 | 179.7° | 179.7° |
| O4 | P2 | O19 | O6 | 125.8° | 120.0° |
| O4 | P2 | O19 | O5 | 117.9° | 120.0° |
| O4 | P2 | O6 | O5 | 124.2° | 120.0° |
| O4 | P2 | O6 | C12 | 62.6° | 175.0° |
| O4 | P2 | O5 | H50 | 121.3° | 60.1° |
| O17 | P3 | O7 | O18 | 123.5° | 120.0° |
| O17 | P3 | O7 | O16 | 123.5° | 120.0° |
| O17 | P3 | O7 | C14 | 100.1° | 175.0° |
| O17 | P3 | O18 | O16 | 118.5° | 119.9° |
| O17 | P3 | O16 | H48 | 118.7° | 60.0° |
| C15 | C16 | O9 | H27 | 118.9° | 118.9° |
| C16 | C15 | O8 | C14 | 118.1° | 114.6° |
| C16 | C15 | O8 | H25 | 121.0° | 122.8° |
| C16 | C15 | C14 | H25 | 120.3° | 118.7° |
| C16 | C15 | C14 | O7 | 111.2° | 118.7° |
| C15 | C16 | O9 | C13 | 16.3° | 40.5° |
| C16 | C15 | C14 | C13 | 6.7° | 0.1° |
| C16 | C15 | C14 | H23 | 126.7° | 118.7° |
| C16 | C15 | O8 | H26 | 180.0° | 65.4° |
| O9 | C16 | C15 | O8 | 123.6° | 142.6° |
| O9 | C16 | C15 | C14 | 5.8° | 24.0° |
| C16 | O9 | C13 | C14 | 20.8° | 40.6° |
| C16 | O9 | C13 | C12 | 141.7° | 159.5° |
| C16 | O9 | C13 | H22 | 98.8° | 78.3° |
| O9 | C16 | C15 | H25 | 114.8° | 94.7° |
| O10 | C22 | C4 | H6 | 92.4° | 120.1° |
| O10 | C22 | C4 | H7 | 147.0° | 120.0° |
| O10 | C22 | C23 | H33 | 136.5° | 120.0° |
| O10 | C22 | C23 | H32 | 103.9° | 120.1° |
| O14 | C31 | C28 | H36 | 30.2° | 24.3° |
| O14 | C31 | C30 | H38 | 24.8° | 0.1° |
| O8 | C15 | C14 | H25 | 121.1° | 122.7° |
| O8 | C15 | C14 | O7 | 130.3° | 122.7° |
| O8 | C15 | C14 | C13 | 111.8° | 118.6° |
| O8 | C15 | C14 | H23 | 8.2° | 0.1° |
| O8 | C15 | C16 | H27 | 4.4° | 23.6° |
| C15 | C14 | O7 | P3 | 126.5° | 121.4° |
| C15 | C14 | O7 | C13 | 116.1° | 114.7° |
| C15 | C14 | O7 | H23 | 121.8° | 122.6° |
| C15 | C14 | C13 | O9 | 16.8° | 24.1° |
| C15 | C14 | C13 | H23 | 120.2° | 118.6° |
| C15 | C14 | C13 | C12 | 134.5° | 142.9° |
| C15 | C14 | C13 | H22 | 102.8° | 94.8° |
| C14 | C15 | C16 | H27 | 113.4° | 95.0° |
| C14 | C15 | O8 | H26 | 61.9° | 180.0° |
| O7 | P3 | O18 | O16 | 119.9° | 120.0° |
| P3 | O7 | C14 | C13 | 117.4° | 123.8° |
| P3 | O7 | C14 | H23 | 4.7° | 1.2° |
| O7 | P3 | O16 | H48 | 119.4° | 60.1° |
| O7 | P3 | O17 | H24 | 123.6° | 180.0° |
| O7 | C14 | C13 | O9 | 100.5° | 94.6° |
| C14 | O7 | P3 | O18 | 136.5° | 55.0° |
| C14 | O7 | P3 | O16 | 23.4° | 65.0° |
| O7 | C14 | C13 | H23 | 122.6° | 122.7° |
| O7 | C14 | C13 | C12 | 17.3° | 24.2° |
| O7 | C14 | C13 | H22 | 139.9° | 146.5° |
| O7 | C14 | C15 | H25 | 9.2° | 0.0° |
| O9 | C13 | C14 | C12 | 117.7° | 118.8° |
| O9 | C13 | C14 | H22 | 119.6° | 118.9° |
| O9 | C13 | C12 | H22 | 119.8° | 122.3° |
| O9 | C13 | C12 | O6 | 69.4° | 68.0° |
| O9 | C13 | C12 | H21 | 171.3° | 172.0° |
| O9 | C13 | C12 | H20 | 49.9° | 52.0° |
| O9 | C13 | C14 | H23 | 137.0° | 142.7° |
| C13 | O9 | C16 | H27 | 102.6° | 78.3° |
| O18 | P3 | O16 | H48 | 0.0° | 179.9° |
| O18 | P3 | O17 | H24 | 0.0° | 59.9° |
| C3 | S1 | C4 | H6 | 42.5° | 60.0° |
| C3 | S1 | C4 | H7 | 78.2° | 60.0° |
| S1 | C3 | C2 | H2 | 151.2° | 60.0° |
| S1 | C3 | C2 | H3 | 88.1° | 60.0° |
| S1 | C3 | H4 | H5 | 120.4° | 119.9° |
| O16 | P3 | O17 | H24 | 112.3° | 60.0° |
| C14 | C13 | C12 | H22 | 122.8° | 122.3° |
| C14 | C13 | C12 | O6 | 173.1° | 176.6° |
| C13 | C14 | C15 | H25 | 127.1° | 118.7° |
| C14 | C13 | C12 | H21 | 53.8° | 56.6° |
| C14 | C13 | C12 | H20 | 67.6° | 63.4° |
| O19 | P2 | O6 | O5 | 107.5° | 120.0° |
| O19 | P2 | O6 | C12 | 65.7° | 55.0° |
| O19 | P2 | O5 | H50 | 0.0° | 180.0° |
| P2 | O6 | C12 | C13 | 131.7° | 180.0° |
| P2 | O6 | C12 | H21 | 109.0° | 60.0° |
| P2 | O6 | C12 | H20 | 12.4° | 60.0° |
| O6 | P2 | O5 | H50 | 114.4° | 60.0° |
| O5 | P2 | O6 | C12 | 173.2° | 65.0° |
| C13 | C12 | O6 | H21 | 119.3° | 119.9° |
| C13 | C12 | O6 | H20 | 119.3° | 120.0° |
| C13 | C12 | H21 | H20 | 122.0° | 120.0° |
| C12 | C13 | C14 | H23 | 105.3° | 98.5° |
| O6 | C12 | C13 | H22 | 50.3° | 54.2° |
| O6 | C12 | H21 | H20 | 122.0° | 120.1° |
| H1 | N1 | C2 | H2 | 151.6° | 120.0° |
| H1 | N1 | C2 | H3 | 87.7° | 120.0° |
| H9 | C5 | C6 | H11 | 166.8° | 60.0° |
| H9 | C5 | C6 | H10 | 46.4° | NaN° |
| H8 | C5 | C6 | H11 | 71.8° | 180.0° |
| H8 | C5 | C6 | H10 | 167.8° | 60.0° |
| H11 | C6 | N2 | H12 | 153.6° | 119.9° |
| H10 | C6 | N2 | H12 | 33.2° | 119.9° |
| H13 | C8 | O3 | H14 | 59.7° | 179.9° |
| H16 | C10 | H15 | H17 | 120.0° | 119.9° |
| H22 | C13 | C12 | H21 | 69.0° | 65.7° |
| H22 | C13 | C12 | H20 | 169.6° | 174.3° |
| H22 | C13 | C14 | H23 | 17.4° | 23.8° |
| H25 | C15 | C14 | H23 | 112.9° | 122.6° |
| H25 | C15 | C16 | H27 | 126.0° | 146.4° |
| H25 | C15 | O8 | H26 | 59.0° | 57.3° |
| H34 | C26 | C27 | H35 | 0.4° | 0.0° |
| H36 | C28 | C31 | H39 | 92.4° | 98.4° |
| H2 | C2 | C3 | H4 | 31.3° | 180.0° |
| H2 | C2 | C3 | H5 | 88.9° | 59.9° |
| H3 | C2 | C3 | H4 | 152.0° | 59.9° |
| H3 | C2 | C3 | H5 | 31.8° | 180.0° |
| H37 | C29 | C30 | H38 | 113.6° | 146.5° |
| H37 | C29 | C32 | H43 | 166.2° | 175.9° |
| H37 | C29 | C32 | H42 | 73.9° | 64.1° |
| H38 | C30 | C31 | H39 | 97.8° | 122.7° |
| H38 | C30 | O13 | H40 | 58.6° | 61.3° |
| H39 | C31 | O14 | H41 | 57.7° | 57.3° |
| H43 | C32 | O15 | H44 | 60.0° | 59.9° |
| H42 | C32 | O15 | H44 | 60.0° | 60.0° |
| H46 | C33 | H47 | H45 | 120.0° | 119.9° |
