8I8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6A | C6A | sing | 1.38Å | 1.37Å | |
| C6A | N1A | doub | 1.33Å | 1.36Å | Aromatic |
| C6A | C5A | sing | 1.41Å | 1.36Å | Aromatic |
| N1A | C2A | sing | 1.32Å | 1.34Å | Aromatic |
| C5A | N7A | sing | 1.36Å | 1.37Å | Aromatic |
| C5A | C4A | doub | 1.41Å | 1.36Å | Aromatic |
| N7A | C8A | doub | 1.30Å | 1.36Å | Aromatic |
| N7 | C7 | sing | 1.47Å | 1.47Å | |
| C2A | N3A | doub | 1.32Å | 1.34Å | Aromatic |
| C4A | N3A | sing | 1.33Å | 1.36Å | Aromatic |
| C4A | N9A | sing | 1.37Å | 1.32Å | Aromatic |
| O5P | C5P | sing | 1.43Å | 1.42Å | |
| C8A | N9A | sing | 1.36Å | 1.34Å | Aromatic |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | C12 | sing | 1.53Å | 1.52Å | |
| O | C | sing | 1.43Å | 1.43Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| N9A | C1B | sing | 1.46Å | 1.38Å | |
| C3P | C2P | sing | 1.53Å | 1.52Å | |
| C3P | N4P | sing | 1.47Å | 1.47Å | |
| C2P | S1P | sing | 1.81Å | 1.77Å | |
| O12 | C12 | sing | 1.43Å | 1.44Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C5P | N4P | sing | 1.47Å | 1.46Å | |
| C5P | C6P | sing | 1.53Å | 1.52Å | |
| C9 | N9 | sing | 1.47Å | 1.50Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C | N9 | sing | 1.47Å | 1.50Å | |
| C | CH3 | sing | 1.53Å | 1.52Å | |
| C | S1P | sing | 1.81Å | 1.77Å | |
| C1B | O4B | sing | 1.44Å | 1.44Å | |
| C1B | C2B | sing | 1.54Å | 1.33Å | |
| O4B | C4B | sing | 1.44Å | 1.44Å | |
| O2A | P1A | doub | 1.48Å | 1.50Å | |
| C6P | C7P | sing | 1.53Å | 1.53Å | |
| O1A | P1A | sing | 1.61Å | 1.51Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | O11 | sing | 1.43Å | 1.42Å | |
| C7P | N8P | sing | 1.46Å | 1.45Å | |
| O5B | P1A | sing | 1.61Å | 1.60Å | |
| O5B | C5B | sing | 1.43Å | 1.43Å | |
| P1A | O3A | sing | 1.61Å | 1.61Å | |
| C10 | O1 | sing | 1.43Å | 1.43Å | |
| C5B | C4B | sing | 1.53Å | 1.51Å | |
| C2B | C3B | sing | 1.55Å | 1.49Å | |
| C2B | O2B | sing | 1.43Å | 1.32Å | |
| C4B | C3B | sing | 1.55Å | 1.52Å | |
| O14 | C14 | sing | 1.43Å | 1.33Å | |
| N8P | C9P | sing | 1.35Å | 1.33Å | |
| C3B | O3B | sing | 1.43Å | 1.42Å | |
| O11 | C13 | sing | 1.43Å | 1.44Å | |
| CDP | CBP | sing | 1.53Å | 1.52Å | |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| C13 | C14 | sing | 1.54Å | 1.49Å | |
| C13 | O16 | sing | 1.44Å | 1.44Å | |
| O3A | P2A | sing | 1.61Å | 1.61Å | |
| C14 | C15 | sing | 1.54Å | 1.49Å | |
| C9P | O9P | doub | 1.21Å | 1.23Å | |
| C9P | CAP | sing | 1.51Å | 1.51Å | |
| O7A | P3B | doub | 1.48Å | 1.51Å | |
| O3B | P3B | sing | 1.61Å | 1.63Å | |
| N6 | C6 | doub | 1.28Å | 1.33Å | |
| O16 | C16 | sing | 1.44Å | 1.45Å | |
| CBP | CAP | sing | 1.53Å | 1.53Å | |
| CBP | CEP | sing | 1.53Å | 1.53Å | |
| CBP | CCP | sing | 1.53Å | 1.52Å | |
| O4A | P2A | doub | 1.48Å | 1.49Å | |
| C1 | O5 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| CAP | OAP | sing | 1.43Å | 1.44Å | |
| O8A | P3B | sing | 1.61Å | 1.51Å | |
| P2A | O6A | sing | 1.61Å | 1.61Å | |
| P2A | O5A | sing | 1.61Å | 1.51Å | |
| O5 | C5 | sing | 1.43Å | 1.46Å | |
| O6A | CCP | sing | 1.43Å | 1.42Å | |
| P3B | O9A | sing | 1.61Å | 1.51Å | |
| C6 | C5 | sing | 1.51Å | 1.43Å | |
| N2 | C2 | sing | 1.47Å | 1.48Å | |
| C15 | C16 | sing | 1.55Å | 1.55Å | |
| C15 | O18 | sing | 1.43Å | 1.43Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| O18 | C18 | sing | 1.43Å | 1.44Å | |
| O4 | C4 | sing | 1.43Å | 1.43Å | |
| C18 | O22 | sing | 1.43Å | 1.44Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| O17 | C17 | sing | 1.43Å | 1.43Å | |
| O22 | C22 | sing | 1.37Å | 1.46Å | |
| C19 | N23 | sing | 1.47Å | 1.48Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| O20 | C20 | sing | 1.43Å | 1.43Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C22 | C21 | sing | 1.51Å | 1.50Å | |
| C22 | C23 | doub | 1.32Å | 1.53Å | |
| C21 | O21 | sing | 1.43Å | 1.43Å | |
| C23 | N19 | sing | 1.40Å | 1.33Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| O | H14 | sing | 0.97Å | 0.95Å | |
| CH3 | H15 | sing | 1.09Å | 1.10Å | |
| CH3 | H16 | sing | 1.09Å | 1.10Å | |
| CH3 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C1B | H25 | sing | 1.09Å | 1.10Å | |
| C2 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.08Å | 1.08Å | |
| C2A | H28 | sing | 1.08Å | 1.08Å | |
| C2B | H29 | sing | 1.09Å | 1.10Å | |
| C2P | H30 | sing | 1.09Å | 1.10Å | |
| C2P | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3B | H33 | sing | 1.09Å | 1.10Å | |
| C3P | H34 | sing | 1.09Å | 1.10Å | |
| C3P | H35 | sing | 1.09Å | 1.10Å | |
| C4B | H36 | sing | 1.09Å | 1.10Å | |
| C5B | H37 | sing | 1.09Å | 1.10Å | |
| C5B | H38 | sing | 1.09Å | 1.10Å | |
| C5P | H39 | sing | 1.09Å | 1.10Å | |
| C6P | H40 | sing | 1.09Å | 1.10Å | |
| C6P | H41 | sing | 1.09Å | 1.10Å | |
| C7P | H42 | sing | 1.09Å | 1.10Å | |
| C7P | H43 | sing | 1.09Å | 1.10Å | |
| C8A | H44 | sing | 1.08Å | 1.08Å | |
| C9 | H45 | sing | 1.09Å | 1.10Å | |
| CAP | H46 | sing | 1.09Å | 1.10Å | |
| CCP | H47 | sing | 1.09Å | 1.10Å | |
| CCP | H48 | sing | 1.09Å | 1.10Å | |
| CDP | H49 | sing | 1.09Å | 1.10Å | |
| CDP | H50 | sing | 1.09Å | 1.10Å | |
| CDP | H51 | sing | 1.09Å | 1.10Å | |
| CEP | H52 | sing | 1.09Å | 1.10Å | |
| CEP | H53 | sing | 1.09Å | 1.10Å | |
| CEP | H54 | sing | 1.09Å | 1.10Å | |
| N19 | H55 | sing | 0.97Å | 1.00Å | |
| N19 | H56 | sing | 0.97Å | 1.00Å | |
| N2 | H57 | sing | 1.01Å | 1.00Å | |
| N2 | H58 | sing | 1.01Å | 1.00Å | |
| N23 | H60 | sing | 1.01Å | 1.00Å | |
| N23 | H61 | sing | 1.01Å | 1.00Å | |
| N4P | H63 | sing | 1.01Å | 1.00Å | |
| N6 | H65 | sing | 0.97Å | 1.00Å | |
| N6A | H66 | sing | 0.97Å | 1.00Å | |
| N6A | H67 | sing | 0.97Å | 1.00Å | |
| N7 | H68 | sing | 1.01Å | 1.00Å | |
| N7 | H69 | sing | 1.01Å | 1.00Å | |
| N8P | H71 | sing | 0.97Å | 1.00Å | |
| N9 | H72 | sing | 1.01Å | 1.00Å | |
| O12 | H74 | sing | 0.97Å | 0.95Å | |
| O14 | H75 | sing | 0.97Å | 0.95Å | |
| O17 | H76 | sing | 0.97Å | 0.95Å | |
| O1A | H77 | sing | 0.97Å | 0.95Å | |
| O20 | H78 | sing | 0.97Å | 0.95Å | |
| O21 | H79 | sing | 0.97Å | 0.95Å | |
| O2B | H80 | sing | 0.97Å | 0.95Å | |
| O3 | H81 | sing | 0.97Å | 0.95Å | |
| O4 | H82 | sing | 0.97Å | 0.95Å | |
| O5A | H83 | sing | 0.97Å | 0.95Å | |
| O5P | H84 | sing | 0.97Å | 0.95Å | |
| O8A | H85 | sing | 0.97Å | 0.95Å | |
| O9A | H86 | sing | 0.97Å | 0.95Å | |
| OAP | H87 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6A | C6A | N1A | 119.2° | 120.8° |
| N6A | C6A | C5A | 121.6° | 120.7° |
| C6A | N6A | H66 | 109.5° | 119.9° |
| C6A | N6A | H67 | 109.4° | 120.1° |
| N1A | C6A | C5A | 119.2° | 118.4° |
| C6A | N1A | C2A | 120.9° | 121.2° |
| C6A | C5A | N7A | 133.5° | 134.7° |
| C6A | C5A | C4A | 119.1° | 118.2° |
| N1A | C2A | N3A | 120.8° | 122.4° |
| N1A | C2A | H28 | 119.6° | 118.8° |
| N7A | C5A | C4A | 107.4° | 107.1° |
| C5A | N7A | C8A | 109.2° | 109.5° |
| C5A | C4A | N3A | 121.4° | 119.1° |
| C5A | C4A | N9A | 105.7° | 106.0° |
| N7A | C8A | N9A | 104.3° | 110.0° |
| N7A | C8A | H44 | 127.9° | 125.0° |
| N7 | C7 | C8 | 108.8° | 109.5° |
| N7 | C7 | C12 | 108.0° | 109.4° |
| N7 | C7 | H4 | 110.5° | 109.5° |
| C7 | N7 | H68 | 109.5° | 111.0° |
| C7 | N7 | H69 | 109.5° | 111.0° |
| C2A | N3A | C4A | 118.7° | 120.7° |
| N3A | C2A | H28 | 119.6° | 118.8° |
| N3A | C4A | N9A | 133.0° | 134.9° |
| C4A | N9A | C8A | 113.4° | 107.5° |
| C4A | N9A | C1B | 119.0° | 126.3° |
| O5P | C5P | N4P | 112.5° | 109.5° |
| O5P | C5P | C6P | 111.3° | 109.5° |
| O5P | C5P | H39 | 107.4° | 109.4° |
| C5P | O5P | H84 | 109.5° | 114.0° |
| C8A | N9A | C1B | 127.6° | 126.3° |
| N9A | C8A | H44 | 127.9° | 125.0° |
| C8 | C7 | C12 | 109.8° | 109.5° |
| C7 | C8 | C9 | 112.2° | 109.5° |
| C8 | C7 | H4 | 109.8° | 109.5° |
| C7 | C8 | H5 | 108.8° | 109.5° |
| C7 | C8 | H6 | 108.8° | 109.5° |
| C7 | C12 | O12 | 112.4° | 109.5° |
| C7 | C12 | C11 | 110.6° | 109.5° |
| C12 | C7 | H4 | 109.9° | 109.5° |
| C7 | C12 | H20 | 107.7° | 109.5° |
| O | C | N9 | 112.0° | 109.5° |
| O | C | CH3 | 110.2° | 109.5° |
| O | C | S1P | 101.1° | 109.5° |
| C | O | H14 | 109.5° | 114.0° |
| C8 | C9 | N9 | 108.9° | 109.5° |
| C8 | C9 | C10 | 110.7° | 109.5° |
| C9 | C8 | H5 | 108.8° | 109.4° |
| C9 | C8 | H6 | 108.8° | 109.4° |
| C8 | C9 | H45 | 108.0° | 109.5° |
| N9A | C1B | O4B | 124.4° | 110.4° |
| N9A | C1B | C2B | 127.8° | 110.4° |
| N9A | C1B | H25 | 93.4° | 110.4° |
| C2P | C3P | N4P | 105.3° | 109.5° |
| C3P | C2P | S1P | 111.7° | 109.5° |
| C3P | C2P | H30 | 108.9° | 109.5° |
| C3P | C2P | H31 | 108.9° | 109.5° |
| C2P | C3P | H34 | 110.5° | 109.5° |
| C2P | C3P | H35 | 110.5° | 109.5° |
| C3P | N4P | C5P | 110.9° | 111.0° |
| N4P | C3P | H34 | 110.5° | 109.4° |
| N4P | C3P | H35 | 110.5° | 109.5° |
| C3P | N4P | H63 | 109.1° | 111.0° |
| C2P | S1P | C | 106.3° | 103.0° |
| S1P | C2P | H30 | 108.9° | 109.5° |
| S1P | C2P | H31 | 108.9° | 109.4° |
| O12 | C12 | C11 | 109.6° | 109.5° |
| O12 | C12 | H20 | 108.7° | 109.5° |
| C12 | O12 | H74 | 109.5° | 114.0° |
| C12 | C11 | C10 | 110.5° | 109.5° |
| C12 | C11 | O11 | 102.4° | 109.5° |
| C12 | C11 | H19 | 111.7° | 109.5° |
| C11 | C12 | H20 | 107.7° | 109.4° |
| N4P | C5P | C6P | 112.0° | 109.5° |
| N4P | C5P | H39 | 106.9° | 109.5° |
| C5P | N4P | H63 | 109.1° | 111.0° |
| C5P | C6P | C7P | 104.2° | 109.5° |
| C6P | C5P | H39 | 106.3° | 109.5° |
| C5P | C6P | H40 | 110.8° | 109.5° |
| C5P | C6P | H41 | 110.8° | 109.5° |
| N9 | C9 | C10 | 112.8° | 109.5° |
| C9 | N9 | C | 112.1° | 111.0° |
| N9 | C9 | H45 | 108.4° | 109.5° |
| C9 | N9 | H72 | 108.8° | 111.0° |
| C9 | C10 | C11 | 114.8° | 109.5° |
| C9 | C10 | O1 | 110.3° | 109.4° |
| C9 | C10 | H7 | 107.4° | 109.5° |
| C10 | C9 | H45 | 107.9° | 109.4° |
| N9 | C | CH3 | 108.3° | 109.5° |
| N9 | C | S1P | 115.2° | 109.5° |
| C | N9 | H72 | 108.8° | 111.0° |
| CH3 | C | S1P | 109.9° | 109.4° |
| C | CH3 | H15 | 109.5° | 109.5° |
| C | CH3 | H16 | 109.5° | 109.5° |
| C | CH3 | H17 | 109.5° | 109.5° |
| O4B | C1B | C2B | 106.8° | 104.8° |
| C1B | O4B | C4B | 105.1° | 105.3° |
| O4B | C1B | H25 | 93.3° | 110.3° |
| C1B | C2B | C3B | 107.1° | 104.1° |
| C1B | C2B | O2B | 129.1° | 110.5° |
| C2B | C1B | H25 | 93.6° | 110.4° |
| C1B | C2B | H29 | 91.6° | 110.5° |
| O4B | C4B | C5B | 111.0° | 110.5° |
| O4B | C4B | C3B | 105.3° | 104.9° |
| O4B | C4B | H36 | 110.0° | 110.3° |
| O2A | P1A | O1A | 115.4° | 109.5° |
| O2A | P1A | O5B | 107.1° | 109.5° |
| O2A | P1A | O3A | 104.9° | 109.4° |
| C6P | C7P | N8P | 112.4° | 109.5° |
| C7P | C6P | H40 | 110.8° | 109.4° |
| C7P | C6P | H41 | 110.8° | 109.4° |
| C6P | C7P | H42 | 108.7° | 109.4° |
| C6P | C7P | H43 | 108.7° | 109.5° |
| O1A | P1A | O5B | 109.1° | 109.5° |
| O1A | P1A | O3A | 112.4° | 109.5° |
| P1A | O1A | H77 | 109.5° | 114.0° |
| C10 | C11 | O11 | 107.0° | 109.5° |
| C11 | C10 | O1 | 107.9° | 109.5° |
| C11 | C10 | H7 | 107.5° | 109.5° |
| C10 | C11 | H19 | 111.5° | 109.5° |
| C11 | O11 | C13 | 123.7° | 114.0° |
| O11 | C11 | H19 | 113.3° | 109.5° |
| C7P | N8P | C9P | 120.7° | 120.0° |
| N8P | C7P | H42 | 108.7° | 109.4° |
| N8P | C7P | H43 | 108.7° | 109.5° |
| C7P | N8P | H71 | 119.7° | 120.0° |
| P1A | O5B | C5B | 117.2° | 123.0° |
| O5B | P1A | O3A | 107.4° | 109.5° |
| O5B | C5B | C4B | 105.0° | 109.5° |
| O5B | C5B | H37 | 110.6° | 109.5° |
| O5B | C5B | H38 | 110.6° | 109.5° |
| P1A | O3A | P2A | 127.5° | 134.0° |
| C10 | O1 | C1 | 113.8° | 114.0° |
| O1 | C10 | H7 | 108.8° | 109.5° |
| C5B | C4B | C3B | 112.5° | 110.4° |
| C5B | C4B | H36 | 109.0° | 110.3° |
| C4B | C5B | H37 | 110.6° | 109.4° |
| C4B | C5B | H38 | 110.6° | 109.5° |
| C3B | C2B | O2B | 123.6° | 110.5° |
| C2B | C3B | C4B | 94.8° | 104.0° |
| C2B | C3B | O3B | 114.0° | 110.6° |
| C3B | C2B | H29 | 91.5° | 110.5° |
| C2B | C3B | H33 | 111.5° | 110.5° |
| O2B | C2B | H29 | 91.6° | 110.6° |
| C2B | O2B | H80 | 109.5° | 114.0° |
| C4B | C3B | O3B | 111.5° | 110.5° |
| C4B | C3B | H33 | 111.1° | 110.6° |
| C3B | C4B | H36 | 108.9° | 110.4° |
| O14 | C14 | C13 | 129.3° | 110.5° |
| O14 | C14 | C15 | 129.7° | 110.5° |
| O14 | C14 | H21 | 90.5° | 110.5° |
| C14 | O14 | H75 | 109.5° | 113.9° |
| N8P | C9P | O9P | 122.4° | 120.0° |
| N8P | C9P | CAP | 115.5° | 120.0° |
| C9P | N8P | H71 | 119.6° | 120.0° |
| C3B | O3B | P3B | 118.6° | 123.0° |
| O3B | C3B | H33 | 112.6° | 110.5° |
| O11 | C13 | C14 | 123.3° | 110.4° |
| O11 | C13 | O16 | 128.2° | 110.4° |
| O11 | C13 | H8 | 93.8° | 110.4° |
| CDP | CBP | CAP | 109.9° | 109.4° |
| CDP | CBP | CEP | 108.3° | 109.5° |
| CDP | CBP | CCP | 110.3° | 109.4° |
| CBP | CDP | H49 | 109.5° | 109.5° |
| CBP | CDP | H50 | 109.5° | 109.5° |
| CBP | CDP | H51 | 109.5° | 109.5° |
| O1 | C1 | O5 | 110.9° | 109.5° |
| O1 | C1 | C2 | 109.6° | 109.5° |
| O1 | C1 | H18 | 108.7° | 109.5° |
| C14 | C13 | O16 | 107.1° | 104.9° |
| C13 | C14 | C15 | 100.9° | 104.1° |
| C14 | C13 | H8 | 93.7° | 110.4° |
| C13 | C14 | H21 | 90.4° | 110.5° |
| C13 | O16 | C16 | 102.8° | 105.2° |
| O16 | C13 | H8 | 93.9° | 110.4° |
| O3A | P2A | O4A | 112.3° | 109.4° |
| O3A | P2A | O6A | 104.4° | 109.5° |
| O3A | P2A | O5A | 105.7° | 109.5° |
| C14 | C15 | C16 | 100.9° | 104.0° |
| C14 | C15 | O18 | 116.2° | 110.5° |
| C14 | C15 | H9 | 107.0° | 110.6° |
| C15 | C14 | H21 | 90.5° | 110.5° |
| O9P | C9P | CAP | 122.1° | 120.0° |
| C9P | CAP | CBP | 113.5° | 109.5° |
| C9P | CAP | OAP | 108.8° | 109.5° |
| C9P | CAP | H46 | 107.7° | 109.5° |
| O7A | P3B | O3B | 110.6° | 109.5° |
| O7A | P3B | O8A | 109.6° | 109.5° |
| O7A | P3B | O9A | 111.8° | 109.4° |
| O3B | P3B | O8A | 107.8° | 109.5° |
| O3B | P3B | O9A | 105.6° | 109.5° |
| N6 | C6 | C5 | 119.1° | 120.0° |
| N6 | C6 | H3 | 120.4° | 120.0° |
| C6 | N6 | H65 | 112.0° | 120.0° |
| O16 | C16 | C15 | 109.5° | 104.8° |
| O16 | C16 | C17 | 107.9° | 110.4° |
| O16 | C16 | H22 | 110.8° | 110.5° |
| CAP | CBP | CEP | 112.9° | 109.5° |
| CAP | CBP | CCP | 108.2° | 109.5° |
| CBP | CAP | OAP | 110.5° | 109.4° |
| CBP | CAP | H46 | 107.5° | 109.5° |
| CEP | CBP | CCP | 107.3° | 109.5° |
| CBP | CEP | H52 | 109.5° | 109.5° |
| CBP | CEP | H53 | 109.5° | 109.4° |
| CBP | CEP | H54 | 109.5° | 109.5° |
| CBP | CCP | O6A | 109.2° | 109.5° |
| CBP | CCP | H47 | 109.6° | 109.4° |
| CBP | CCP | H48 | 109.6° | 109.5° |
| O4A | P2A | O6A | 108.7° | 109.5° |
| O4A | P2A | O5A | 115.2° | 109.5° |
| O5 | C1 | C2 | 111.5° | 109.4° |
| C1 | O5 | C5 | 115.5° | 114.1° |
| O5 | C1 | H18 | 108.7° | 109.5° |
| C1 | C2 | N2 | 109.8° | 109.5° |
| C1 | C2 | C3 | 109.8° | 109.1° |
| C2 | C1 | H18 | 107.4° | 109.5° |
| C1 | C2 | H26 | 109.1° | 109.5° |
| OAP | CAP | H46 | 108.6° | 109.5° |
| CAP | OAP | H87 | 109.5° | 114.0° |
| O8A | P3B | O9A | 111.3° | 109.4° |
| P3B | O8A | H85 | 109.5° | 114.0° |
| O6A | P2A | O5A | 110.1° | 109.5° |
| P2A | O6A | CCP | 118.1° | 123.0° |
| P2A | O5A | H83 | 109.5° | 114.0° |
| O5 | C5 | C6 | 118.3° | 109.5° |
| O5 | C5 | C4 | 121.9° | 109.4° |
| O5 | C5 | H2 | 90.8° | 109.5° |
| O6A | CCP | H47 | 109.5° | 109.5° |
| O6A | CCP | H48 | 109.5° | 109.5° |
| P3B | O9A | H86 | 109.5° | 114.0° |
| C6 | C5 | C4 | 119.8° | 109.5° |
| C6 | C5 | H2 | 90.8° | 109.4° |
| C5 | C6 | H3 | 120.5° | 120.0° |
| N2 | C2 | C3 | 109.1° | 109.6° |
| N2 | C2 | H26 | 109.8° | 109.6° |
| C2 | N2 | H57 | 109.5° | 111.0° |
| C2 | N2 | H58 | 109.5° | 110.9° |
| C16 | C15 | O18 | 118.0° | 110.5° |
| C15 | C16 | C17 | 109.2° | 110.3° |
| C16 | C15 | H9 | 106.3° | 110.5° |
| C15 | C16 | H22 | 109.5° | 110.4° |
| C15 | O18 | C18 | 108.2° | 114.0° |
| O18 | C15 | H9 | 107.7° | 110.5° |
| C5 | C4 | C3 | 111.0° | 109.2° |
| C5 | C4 | O4 | 110.2° | 109.5° |
| C5 | C4 | H1 | 108.8° | 109.6° |
| C4 | C5 | H2 | 90.8° | 109.5° |
| C2 | C3 | C4 | 110.0° | 109.0° |
| C2 | C3 | O3 | 108.8° | 109.5° |
| C3 | C2 | H26 | 109.2° | 109.5° |
| C2 | C3 | H32 | 109.3° | 109.6° |
| C4 | C3 | O3 | 108.9° | 109.6° |
| C3 | C4 | O4 | 108.4° | 109.6° |
| C3 | C4 | H1 | 108.7° | 109.5° |
| C4 | C3 | H32 | 109.2° | 109.6° |
| O3 | C3 | H32 | 110.5° | 109.6° |
| C3 | O3 | H81 | 109.5° | 114.0° |
| C16 | C17 | O17 | 108.3° | 109.5° |
| C16 | C17 | H10 | 109.8° | 109.5° |
| C16 | C17 | H11 | 109.7° | 109.4° |
| C17 | C16 | H22 | 109.9° | 110.3° |
| O18 | C18 | O22 | 110.5° | 109.5° |
| O18 | C18 | C19 | 112.0° | 109.5° |
| O18 | C18 | H23 | 106.8° | 109.5° |
| O4 | C4 | H1 | 109.8° | 109.5° |
| C4 | O4 | H82 | 109.5° | 114.0° |
| O22 | C18 | C19 | 114.5° | 109.2° |
| C18 | O22 | C22 | 120.1° | 115.7° |
| O22 | C18 | H23 | 106.7° | 109.5° |
| C18 | C19 | N23 | 110.2° | 109.5° |
| C18 | C19 | C20 | 113.7° | 109.4° |
| C19 | C18 | H23 | 105.7° | 109.5° |
| C18 | C19 | H24 | 107.3° | 109.5° |
| O17 | C17 | H10 | 109.8° | 109.5° |
| O17 | C17 | H11 | 109.8° | 109.5° |
| C17 | O17 | H76 | 109.5° | 114.0° |
| O22 | C22 | C21 | 121.3° | 118.0° |
| O22 | C22 | C23 | 119.3° | 121.0° |
| N23 | C19 | C20 | 110.0° | 109.5° |
| N23 | C19 | H24 | 108.0° | 109.5° |
| C19 | N23 | H60 | 109.5° | 111.0° |
| C19 | N23 | H61 | 109.4° | 111.0° |
| C19 | C20 | O20 | 110.3° | 109.7° |
| C19 | C20 | C21 | 111.1° | 108.9° |
| C19 | C20 | H12 | 108.3° | 109.6° |
| C20 | C19 | H24 | 107.4° | 109.5° |
| O20 | C20 | C21 | 109.3° | 109.6° |
| O20 | C20 | H12 | 109.5° | 109.6° |
| C20 | O20 | H78 | 109.5° | 114.0° |
| C20 | C21 | C22 | 107.8° | 108.3° |
| C20 | C21 | O21 | 110.3° | 109.7° |
| C21 | C20 | H12 | 108.4° | 109.5° |
| C20 | C21 | H13 | 108.9° | 109.7° |
| C21 | C22 | C23 | 119.3° | 121.0° |
| C22 | C21 | O21 | 110.3° | 109.7° |
| C22 | C21 | H13 | 109.2° | 109.8° |
| C22 | C23 | N19 | 120.4° | 120.0° |
| C22 | C23 | H27 | 119.8° | 120.0° |
| O21 | C21 | H13 | 110.2° | 109.7° |
| C21 | O21 | H79 | 109.5° | 114.0° |
| N19 | C23 | H27 | 119.8° | 120.0° |
| C23 | N19 | H55 | 109.5° | 120.0° |
| C23 | N19 | H56 | 109.5° | 120.0° |
| H5 | C8 | H6 | 109.5° | 109.5° |
| H10 | C17 | H11 | 109.5° | 109.4° |
| H15 | CH3 | H16 | 109.5° | 109.4° |
| H15 | CH3 | H17 | 109.5° | 109.5° |
| H16 | CH3 | H17 | 109.5° | 109.5° |
| H30 | C2P | H31 | 109.5° | 109.5° |
| H34 | C3P | H35 | 109.5° | 109.4° |
| H37 | C5B | H38 | 109.5° | 109.4° |
| H40 | C6P | H41 | 109.5° | 109.5° |
| H42 | C7P | H43 | 109.4° | 109.5° |
| H47 | CCP | H48 | 109.5° | 109.5° |
| H49 | CDP | H50 | 109.5° | 109.5° |
| H49 | CDP | H51 | 109.5° | 109.4° |
| H50 | CDP | H51 | 109.5° | 109.5° |
| H52 | CEP | H53 | 109.5° | 109.5° |
| H52 | CEP | H54 | 109.5° | 109.5° |
| H53 | CEP | H54 | 109.5° | 109.5° |
| H55 | N19 | H56 | 109.4° | 120.0° |
| H57 | N2 | H58 | 109.5° | 111.0° |
| H60 | N23 | H61 | 109.5° | 111.0° |
| H66 | N6A | H67 | 109.5° | 120.0° |
| H68 | N7 | H69 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6A | C6A | N1A | C5A | 179.8° | 179.5° |
| N6A | C6A | N1A | C2A | 179.8° | 180.0° |
| N6A | C6A | C5A | N7A | 0.1° | 0.4° |
| N6A | C6A | C5A | C4A | 180.0° | 179.8° |
| C6A | N6A | H66 | H67 | 120.0° | 179.9° |
| N1A | C6A | C5A | N7A | 179.8° | 179.9° |
| N1A | C6A | C5A | C4A | 0.2° | 0.7° |
| C6A | N1A | C2A | N3A | 0.3° | 0.1° |
| C6A | N1A | C2A | H28 | 179.8° | 179.7° |
| N1A | C6A | N6A | H66 | 0.0° | 0.1° |
| N1A | C6A | N6A | H67 | 120.0° | 180.0° |
| C5A | C6A | N1A | C2A | 0.0° | 0.5° |
| C6A | C5A | N7A | C4A | 180.0° | 179.4° |
| C6A | C5A | N7A | C8A | 179.6° | 179.4° |
| C6A | C5A | C4A | N3A | 0.1° | 0.5° |
| C6A | C5A | C4A | N9A | 179.4° | 179.5° |
| C5A | C6A | N6A | H66 | 179.7° | 179.5° |
| C5A | C6A | N6A | H67 | 59.7° | 0.5° |
| N1A | C2A | N3A | H28 | 180.0° | 179.8° |
| N1A | C2A | N3A | C4A | 0.4° | 0.2° |
| N7A | C5A | C4A | N3A | 179.9° | 180.0° |
| N7A | C5A | C4A | N9A | 0.6° | 0.0° |
| C5A | N7A | C8A | N9A | 0.2° | 0.0° |
| C5A | N7A | C8A | H44 | 179.8° | 180.0° |
| C4A | C5A | N7A | C8A | 0.5° | 0.0° |
| C5A | C4A | N3A | C2A | 0.2° | 0.0° |
| C5A | C4A | N3A | N9A | 179.1° | 180.0° |
| C5A | C4A | N9A | C8A | 0.5° | 0.0° |
| C5A | C4A | N9A | C1B | 178.9° | 180.0° |
| N7A | C8A | N9A | C4A | 0.2° | 0.0° |
| N7A | C8A | N9A | H44 | 180.0° | 180.0° |
| N7A | C8A | N9A | C1B | 179.1° | 180.0° |
| N7 | C7 | C8 | C12 | 118.0° | 120.0° |
| N7 | C7 | C8 | H4 | 121.1° | 120.0° |
| N7 | C7 | C12 | H4 | 120.7° | 120.0° |
| N7 | C7 | C8 | C9 | 176.9° | 180.0° |
| N7 | C7 | C12 | O12 | 57.2° | 60.0° |
| N7 | C7 | C12 | C11 | 180.0° | 180.0° |
| N7 | C7 | C8 | H5 | 56.5° | 60.0° |
| N7 | C7 | C8 | H6 | 62.7° | 60.1° |
| N7 | C7 | C12 | H20 | 62.5° | 60.0° |
| C7 | N7 | H68 | H69 | 120.0° | 124.0° |
| C2A | N3A | C4A | N9A | 178.9° | 180.0° |
| N3A | C4A | N9A | C8A | 179.7° | 180.0° |
| N3A | C4A | N9A | C1B | 0.3° | 0.0° |
| C4A | N3A | C2A | H28 | 179.6° | 179.9° |
| C4A | N9A | C8A | C1B | 179.3° | 180.0° |
| C4A | N9A | C1B | O4B | 83.4° | 156.4° |
| C4A | N9A | C1B | C2B | 83.0° | 88.1° |
| C4A | N9A | C1B | H25 | 179.7° | 34.2° |
| C4A | N9A | C8A | H44 | 179.8° | 180.0° |
| O5P | C5P | N4P | C3P | 51.1° | 99.9° |
| O5P | C5P | N4P | C6P | 126.2° | 120.0° |
| O5P | C5P | N4P | H39 | 117.7° | 120.0° |
| O5P | C5P | C6P | H39 | 116.7° | 119.9° |
| O5P | C5P | C6P | C7P | 85.1° | 65.0° |
| O5P | C5P | C6P | H40 | 34.1° | 55.0° |
| O5P | C5P | C6P | H41 | 155.7° | 175.1° |
| O5P | C5P | N4P | H63 | 69.1° | 24.0° |
| C8A | N9A | C1B | O4B | 97.3° | 23.6° |
| C8A | N9A | C1B | C2B | 96.3° | 91.8° |
| C8A | N9A | C1B | H25 | 0.9° | 145.8° |
| C8 | C7 | C12 | H4 | 120.9° | 120.0° |
| C7 | C8 | C9 | H5 | 120.4° | 120.0° |
| C7 | C8 | C9 | H6 | 120.4° | 120.0° |
| C8 | C7 | C12 | O12 | 175.7° | 180.0° |
| C8 | C7 | C12 | C11 | 61.5° | 60.0° |
| C7 | C8 | C9 | N9 | 175.6° | 180.0° |
| C7 | C8 | C9 | C10 | 51.1° | 60.0° |
| C7 | C8 | H5 | H6 | 118.7° | 120.0° |
| C8 | C7 | C12 | H20 | 56.0° | 59.9° |
| C7 | C8 | C9 | H45 | 66.9° | 59.9° |
| C8 | C7 | N7 | H68 | 180.0° | 60.1° |
| C8 | C7 | N7 | H69 | 60.0° | 63.9° |
| C12 | C7 | C8 | C9 | 58.9° | 60.0° |
| C7 | C12 | O12 | C11 | 123.4° | 120.0° |
| C7 | C12 | O12 | H20 | 119.1° | 120.0° |
| C7 | C12 | C11 | H20 | 117.5° | 120.0° |
| C7 | C12 | C11 | C10 | 56.9° | 60.0° |
| C7 | C12 | C11 | O11 | 170.6° | 180.0° |
| C12 | C7 | C8 | H5 | 61.5° | 60.0° |
| C12 | C7 | C8 | H6 | 179.3° | 180.0° |
| C7 | C12 | C11 | H19 | 67.8° | 60.0° |
| C12 | C7 | N7 | H68 | 60.9° | 179.9° |
| C12 | C7 | N7 | H69 | 179.1° | 56.1° |
| C7 | C12 | O12 | H74 | 180.0° | 60.0° |
| O | C | S1P | C2P | 8.2° | 15.0° |
| O | C | N9 | C9 | 67.6° | 64.8° |
| O | C | N9 | CH3 | 121.7° | 120.0° |
| O | C | N9 | S1P | 114.8° | 120.0° |
| O | C | CH3 | S1P | 110.5° | 120.0° |
| O | C | CH3 | H15 | 180.0° | 60.0° |
| O | C | CH3 | H16 | 60.0° | 60.0° |
| O | C | CH3 | H17 | 60.0° | 180.0° |
| O | C | N9 | H72 | 172.0° | 171.1° |
| C8 | C9 | N9 | C10 | 123.3° | 120.0° |
| C8 | C9 | N9 | H45 | 117.3° | 120.0° |
| C8 | C9 | C10 | H45 | 118.1° | 120.0° |
| C8 | C9 | N9 | C | 113.9° | 100.9° |
| C8 | C9 | C10 | C11 | 47.5° | 60.0° |
| C8 | C9 | C10 | O1 | 169.6° | 180.0° |
| C9 | C8 | C7 | H4 | 62.1° | 60.0° |
| C9 | C8 | H5 | H6 | 118.7° | 119.9° |
| C8 | C9 | C10 | H7 | 72.0° | 60.1° |
| C8 | C9 | N9 | H72 | 125.6° | 135.1° |
| N9A | C1B | O4B | C2B | 168.8° | 118.9° |
| N9A | C1B | O4B | H25 | 96.4° | 122.3° |
| N9A | C1B | C2B | H25 | 97.2° | 122.4° |
| N9A | C1B | O4B | C4B | 159.4° | 159.3° |
| N9A | C1B | C2B | C3B | 132.2° | 142.9° |
| N9A | C1B | C2B | O2B | 53.2° | 98.5° |
| N9A | C1B | C2B | H29 | 40.2° | 24.2° |
| C1B | N9A | C8A | H44 | 0.9° | 0.0° |
| C2P | C3P | N4P | H34 | 119.3° | 120.0° |
| C2P | C3P | N4P | H35 | 119.3° | 120.1° |
| C3P | C2P | S1P | H30 | 120.3° | 120.0° |
| C3P | C2P | S1P | H31 | 120.4° | 120.0° |
| C2P | C3P | N4P | C5P | 174.7° | 180.0° |
| C3P | C2P | S1P | C | 102.8° | 180.0° |
| C3P | C2P | H30 | H31 | 119.0° | 120.1° |
| C2P | C3P | H34 | H35 | 121.9° | 120.0° |
| C2P | C3P | N4P | H63 | 65.1° | 56.1° |
| N4P | C3P | C2P | S1P | 94.8° | 180.0° |
| C3P | N4P | C5P | H63 | 120.2° | 123.9° |
| C3P | N4P | C5P | C6P | 177.3° | 140.0° |
| N4P | C3P | C2P | H30 | 25.6° | 60.0° |
| N4P | C3P | C2P | H31 | 144.9° | 60.1° |
| N4P | C3P | H34 | H35 | 121.9° | 120.0° |
| C3P | N4P | C5P | H39 | 66.6° | 20.0° |
| C2P | S1P | C | N9 | 112.7° | 105.0° |
| C2P | S1P | C | CH3 | 124.6° | 135.0° |
| S1P | C2P | H30 | H31 | 119.0° | 119.9° |
| S1P | C2P | C3P | H34 | 24.6° | 60.0° |
| S1P | C2P | C3P | H35 | 145.9° | 59.9° |
| O12 | C12 | C11 | H20 | 118.1° | 120.0° |
| O12 | C12 | C11 | C10 | 178.7° | 180.0° |
| O12 | C12 | C11 | O11 | 65.0° | 60.0° |
| O12 | C12 | C7 | H4 | 63.5° | 60.0° |
| O12 | C12 | C11 | H19 | 56.6° | 60.0° |
| C12 | C11 | C10 | C9 | 50.6° | 60.0° |
| C12 | C11 | C10 | O11 | 110.7° | 120.0° |
| C12 | C11 | C10 | H19 | 124.8° | 120.0° |
| C12 | C11 | O11 | H19 | 120.5° | 120.0° |
| C12 | C11 | C10 | O1 | 174.0° | 180.0° |
| C12 | C11 | O11 | C13 | 106.9° | 90.0° |
| C11 | C12 | C7 | H4 | 59.4° | 60.0° |
| C12 | C11 | C10 | H7 | 68.9° | 60.0° |
| C11 | C12 | O12 | H74 | 56.6° | 180.0° |
| N4P | C5P | C6P | H39 | 116.5° | 120.0° |
| N4P | C5P | C6P | C7P | 148.0° | 175.0° |
| C5P | N4P | C3P | H34 | 55.3° | 60.0° |
| C5P | N4P | C3P | H35 | 66.0° | 59.9° |
| N4P | C5P | C6P | H40 | 92.8° | 65.0° |
| N4P | C5P | C6P | H41 | 28.9° | 55.0° |
| N4P | C5P | O5P | H84 | 180.0° | 60.0° |
| C5P | C6P | C7P | H40 | 119.2° | 120.0° |
| C5P | C6P | C7P | H41 | 119.1° | 120.0° |
| C5P | C6P | C7P | N8P | 172.7° | 180.0° |
| C5P | C6P | H40 | H41 | 122.4° | 120.1° |
| C5P | C6P | C7P | H42 | 52.3° | 60.0° |
| C5P | C6P | C7P | H43 | 66.8° | 60.0° |
| C6P | C5P | N4P | H63 | 57.1° | 96.1° |
| C6P | C5P | O5P | H84 | 53.4° | 60.0° |
| N9 | C9 | C10 | H45 | 119.7° | 120.0° |
| C9 | N9 | C | H72 | 120.4° | 124.0° |
| C9 | N9 | C | CH3 | 170.7° | 175.1° |
| C9 | N9 | C | S1P | 47.2° | 55.2° |
| N9 | C9 | C10 | C11 | 169.8° | 180.0° |
| N9 | C9 | C10 | O1 | 68.2° | 60.0° |
| N9 | C9 | C8 | H5 | 55.2° | 60.0° |
| N9 | C9 | C8 | H6 | 63.9° | 60.0° |
| N9 | C9 | C10 | H7 | 50.2° | 60.0° |
| C10 | C9 | N9 | C | 122.7° | 139.1° |
| C9 | C10 | C11 | O1 | 123.3° | 119.9° |
| C9 | C10 | C11 | H7 | 119.5° | 120.0° |
| C9 | C10 | C11 | O11 | 161.4° | 180.0° |
| C9 | C10 | O1 | H7 | 117.6° | 120.0° |
| C9 | C10 | O1 | C1 | 145.8° | 155.3° |
| C10 | C9 | C8 | H5 | 69.3° | 60.0° |
| C10 | C9 | C8 | H6 | 171.5° | 180.0° |
| C9 | C10 | C11 | H19 | 74.2° | 60.0° |
| C10 | C9 | N9 | H72 | 2.3° | 15.1° |
| N9 | C | CH3 | S1P | 126.6° | 120.0° |
| N9 | C | O | H14 | 180.0° | 67.1° |
| N9 | C | CH3 | H15 | 57.2° | 60.0° |
| N9 | C | CH3 | H16 | 62.8° | 180.0° |
| N9 | C | CH3 | H17 | 177.2° | 60.0° |
| C | N9 | C9 | H45 | 3.3° | 19.1° |
| CH3 | C | O | H14 | 59.3° | 172.9° |
| C | CH3 | H15 | H16 | 120.0° | 120.0° |
| C | CH3 | H15 | H17 | 120.0° | 120.0° |
| C | CH3 | H16 | H17 | 120.0° | 120.1° |
| CH3 | C | N9 | H72 | 50.3° | 51.1° |
| S1P | C | O | H14 | 56.8° | 52.9° |
| S1P | C | CH3 | H15 | 69.5° | 180.0° |
| S1P | C | CH3 | H16 | 170.5° | 60.0° |
| S1P | C | CH3 | H17 | 50.5° | 60.0° |
| C | S1P | C2P | H30 | 136.9° | 60.0° |
| C | S1P | C2P | H31 | 17.6° | 60.0° |
| S1P | C | N9 | H72 | 73.2° | 68.8° |
| O4B | C1B | C2B | H25 | 94.5° | 118.8° |
| C1B | O4B | C4B | C5B | 141.7° | 159.4° |
| O4B | C1B | C2B | C3B | 36.1° | 24.0° |
| O4B | C1B | C2B | O2B | 138.5° | 142.6° |
| C1B | O4B | C4B | C3B | 19.7° | 40.4° |
| O4B | C1B | C2B | H29 | 128.1° | 94.7° |
| C1B | O4B | C4B | H36 | 97.6° | 78.4° |
| C2B | C1B | O4B | C4B | 9.5° | 40.5° |
| C1B | C2B | C3B | O2B | 175.0° | 118.6° |
| C1B | C2B | C3B | H29 | 92.1° | 118.7° |
| C1B | C2B | O2B | H29 | 93.3° | 122.7° |
| C1B | C2B | C3B | C4B | 45.2° | 0.0° |
| C1B | C2B | C3B | O3B | 161.3° | 118.6° |
| C1B | C2B | C3B | H33 | 69.7° | 118.8° |
| C1B | C2B | O2B | H80 | 180.0° | 61.4° |
| O4B | C4B | C5B | O5B | 66.0° | 69.5° |
| O4B | C4B | C5B | C3B | 117.7° | 115.5° |
| O4B | C4B | C5B | H36 | 121.3° | 122.3° |
| O4B | C4B | C3B | C2B | 37.5° | 23.9° |
| O4B | C4B | C3B | H36 | 118.0° | 118.8° |
| O4B | C4B | C3B | O3B | 155.7° | 142.6° |
| C4B | O4B | C1B | H25 | 104.2° | 78.3° |
| O4B | C4B | C3B | H33 | 77.8° | 94.7° |
| O4B | C4B | C5B | H37 | 53.3° | 170.4° |
| O4B | C4B | C5B | H38 | 174.7° | 50.5° |
| O2A | P1A | O1A | O5B | 120.6° | 120.0° |
| O2A | P1A | O1A | O3A | 120.3° | 120.0° |
| O2A | P1A | O5B | O3A | 112.3° | 120.0° |
| O2A | P1A | O5B | C5B | 47.6° | 55.1° |
| O2A | P1A | O3A | P2A | 166.2° | 45.0° |
| O2A | P1A | O1A | H77 | 0.0° | 180.0° |
| C6P | C7P | N8P | H42 | 120.4° | 120.0° |
| C6P | C7P | N8P | H43 | 120.4° | 120.1° |
| C6P | C7P | N8P | C9P | 70.0° | 180.0° |
| C7P | C6P | C5P | H39 | 31.5° | 55.0° |
| C7P | C6P | H40 | H41 | 122.4° | 119.9° |
| C6P | C7P | H42 | H43 | 118.7° | 120.0° |
| C6P | C7P | N8P | H71 | 110.0° | 0.1° |
| O1A | P1A | O5B | O3A | 122.1° | 120.0° |
| O1A | P1A | O5B | C5B | 173.2° | 65.0° |
| O1A | P1A | O3A | P2A | 40.0° | 75.0° |
| C10 | C11 | O11 | H19 | 123.3° | 120.0° |
| C11 | C10 | O1 | H7 | 116.4° | 120.1° |
| C10 | C11 | O11 | C13 | 136.9° | 150.0° |
| C11 | C10 | O1 | C1 | 88.1° | 84.7° |
| C10 | C11 | C12 | H20 | 60.6° | 60.0° |
| C11 | C10 | C9 | H45 | 70.6° | 60.0° |
| O11 | C11 | C10 | O1 | 75.3° | 60.0° |
| C11 | O11 | C13 | C14 | 124.6° | 175.0° |
| C11 | O11 | C13 | O16 | 70.4° | 69.6° |
| O11 | C11 | C10 | H7 | 41.9° | 60.0° |
| C11 | O11 | C13 | H8 | 27.6° | 52.7° |
| O11 | C11 | C12 | H20 | 53.1° | 60.1° |
| C7P | N8P | C9P | H71 | 180.0° | 180.0° |
| C7P | N8P | C9P | O9P | 12.6° | 3.4° |
| C7P | N8P | C9P | CAP | 169.0° | 176.7° |
| N8P | C7P | C6P | H40 | 68.1° | 60.0° |
| N8P | C7P | C6P | H41 | 53.6° | 60.0° |
| N8P | C7P | H42 | H43 | 118.7° | 120.0° |
| P1A | O5B | C5B | C4B | 170.1° | 180.0° |
| O5B | P1A | O3A | P2A | 80.1° | 165.0° |
| P1A | O5B | C5B | H37 | 70.6° | 60.0° |
| P1A | O5B | C5B | H38 | 50.8° | 60.0° |
| O5B | P1A | O1A | H77 | 120.6° | 60.0° |
| C5B | O5B | P1A | O3A | 64.7° | 175.0° |
| O5B | C5B | C4B | H37 | 119.3° | 120.0° |
| O5B | C5B | C4B | H38 | 119.3° | 120.1° |
| O5B | C5B | C4B | C3B | 176.3° | 174.9° |
| O5B | C5B | C4B | H36 | 55.4° | 52.7° |
| O5B | C5B | H37 | H38 | 122.1° | 120.1° |
| P1A | O3A | P2A | O4A | 20.0° | 40.0° |
| P1A | O3A | P2A | O6A | 97.6° | 160.0° |
| P1A | O3A | P2A | O5A | 146.3° | 80.0° |
| O3A | P1A | O1A | H77 | 120.3° | 60.0° |
| C10 | O1 | C1 | O5 | 75.9° | 73.4° |
| C10 | O1 | C1 | C2 | 160.6° | 166.7° |
| C10 | O1 | C1 | H18 | 43.4° | 46.7° |
| O1 | C10 | C11 | H19 | 49.1° | 59.9° |
| O1 | C10 | C9 | H45 | 51.5° | 60.0° |
| C5B | C4B | C3B | C2B | 158.5° | 142.9° |
| C5B | C4B | C3B | H36 | 121.0° | 122.2° |
| C5B | C4B | C3B | O3B | 83.3° | 98.4° |
| C5B | C4B | C3B | H33 | 43.2° | 24.3° |
| C4B | C5B | H37 | H38 | 122.1° | 119.9° |
| C3B | C2B | O2B | H29 | 92.8° | 122.7° |
| C2B | C3B | C4B | O3B | 118.2° | 118.7° |
| C2B | C3B | C4B | H33 | 115.3° | 118.6° |
| C2B | C3B | O3B | H33 | 128.4° | 122.6° |
| C2B | C3B | O3B | P3B | 90.3° | 121.4° |
| C3B | C2B | C1B | H25 | 130.6° | 94.8° |
| C2B | C3B | C4B | H36 | 80.5° | 94.9° |
| C3B | C2B | O2B | H80 | 6.1° | 176.1° |
| O2B | C2B | C3B | C4B | 129.8° | 118.7° |
| O2B | C2B | C3B | O3B | 13.7° | 0.0° |
| O2B | C2B | C1B | H25 | 44.0° | 23.8° |
| O2B | C2B | C3B | H33 | 115.3° | 122.6° |
| C4B | C3B | O3B | H33 | 125.7° | 122.8° |
| C4B | C3B | O3B | P3B | 163.8° | 123.9° |
| C4B | C3B | C2B | H29 | 137.3° | 118.6° |
| C3B | C4B | C5B | H37 | 64.4° | 54.9° |
| C3B | C4B | C5B | H38 | 57.0° | 65.0° |
| O14 | C14 | C13 | O11 | 58.4° | 98.5° |
| O14 | C14 | C13 | C15 | 178.5° | 118.6° |
| O14 | C14 | C13 | H21 | 91.0° | 122.7° |
| O14 | C14 | C13 | O16 | 133.8° | 142.6° |
| O14 | C14 | C15 | H21 | 91.0° | 122.6° |
| O14 | C14 | C15 | C16 | 142.1° | 118.7° |
| O14 | C14 | C15 | O18 | 13.3° | 0.0° |
| O14 | C14 | C13 | H8 | 38.6° | 23.7° |
| O14 | C14 | C15 | H9 | 106.9° | 122.6° |
| N8P | C9P | O9P | CAP | 178.3° | 180.0° |
| N8P | C9P | CAP | CBP | 97.2° | 75.6° |
| N8P | C9P | CAP | OAP | 139.3° | 164.4° |
| C9P | N8P | C7P | H42 | 50.4° | 60.0° |
| C9P | N8P | C7P | H43 | 169.6° | 59.9° |
| N8P | C9P | CAP | H46 | 21.7° | 44.4° |
| C3B | O3B | P3B | O7A | 47.5° | 55.0° |
| C3B | O3B | P3B | O8A | 72.3° | 65.1° |
| C3B | O3B | P3B | O9A | 168.6° | 175.0° |
| O3B | C3B | C2B | H29 | 106.6° | 122.7° |
| O3B | C3B | C4B | H36 | 37.7° | 23.8° |
| O11 | C13 | C14 | O16 | 167.8° | 118.8° |
| O11 | C13 | C14 | H8 | 97.0° | 122.3° |
| O11 | C13 | O16 | H8 | 98.0° | 122.2° |
| O11 | C13 | C14 | C15 | 123.1° | 142.8° |
| O11 | C13 | O16 | C16 | 135.0° | 159.3° |
| C13 | O11 | C11 | H19 | 13.6° | 30.0° |
| O11 | C13 | C14 | H21 | 32.6° | 24.2° |
| CDP | CBP | CAP | C9P | 62.6° | 64.3° |
| CDP | CBP | CAP | CEP | 121.0° | 120.0° |
| CDP | CBP | CAP | CCP | 120.5° | 120.0° |
| CDP | CBP | CEP | CCP | 119.0° | 120.0° |
| CDP | CBP | CAP | OAP | 174.9° | 175.7° |
| CDP | CBP | CCP | O6A | 65.9° | 60.0° |
| CDP | CBP | CAP | H46 | 56.5° | 55.7° |
| CDP | CBP | CCP | H47 | 54.1° | 180.0° |
| CDP | CBP | CCP | H48 | 174.2° | 60.0° |
| CBP | CDP | H49 | H50 | 120.0° | 120.0° |
| CBP | CDP | H49 | H51 | 120.0° | 120.0° |
| CBP | CDP | H50 | H51 | 120.0° | 120.1° |
| CDP | CBP | CEP | H52 | 180.0° | 180.0° |
| CDP | CBP | CEP | H53 | 60.0° | 60.0° |
| CDP | CBP | CEP | H54 | 60.0° | 60.0° |
| O1 | C1 | O5 | C2 | 122.4° | 120.0° |
| O1 | C1 | O5 | H18 | 119.4° | 120.0° |
| O1 | C1 | C2 | H18 | 117.9° | 120.0° |
| O1 | C1 | O5 | C5 | 78.4° | 58.8° |
| O1 | C1 | C2 | N2 | 57.8° | 57.6° |
| O1 | C1 | C2 | C3 | 62.1° | 62.4° |
| C1 | O1 | C10 | H7 | 28.2° | 35.4° |
| O1 | C1 | C2 | H26 | 178.2° | 177.7° |
| C14 | C13 | O16 | H8 | 95.1° | 118.9° |
| C13 | C14 | C15 | H21 | 90.5° | 118.7° |
| C14 | C13 | O16 | C16 | 31.9° | 40.5° |
| C13 | C14 | C15 | C16 | 36.3° | 0.0° |
| C13 | C14 | C15 | O18 | 165.2° | 118.6° |
| C13 | C14 | C15 | H9 | 74.6° | 118.7° |
| C13 | C14 | O14 | H75 | 180.0° | 61.4° |
| O16 | C13 | C14 | C15 | 44.7° | 24.0° |
| C13 | O16 | C16 | C15 | 7.5° | 40.5° |
| C13 | O16 | C16 | C17 | 111.3° | 159.3° |
| O16 | C13 | C14 | H21 | 135.2° | 94.7° |
| C13 | O16 | C16 | H22 | 128.4° | 78.4° |
| O3A | P2A | O4A | O6A | 115.0° | 120.0° |
| O3A | P2A | O4A | O5A | 121.0° | 120.0° |
| O3A | P2A | O6A | O5A | 113.0° | 120.0° |
| O3A | P2A | O6A | CCP | 66.0° | 175.0° |
| O3A | P2A | O5A | H83 | 124.5° | 60.0° |
| C14 | C15 | C16 | O16 | 19.0° | 24.0° |
| C14 | C15 | C16 | O18 | 127.7° | 118.7° |
| C14 | C15 | C16 | H9 | 111.5° | 118.7° |
| C14 | C15 | O18 | H9 | 119.9° | 122.8° |
| C14 | C15 | C16 | C17 | 137.0° | 142.8° |
| C14 | C15 | O18 | C18 | 94.7° | 95.4° |
| C15 | C14 | C13 | H8 | 139.8° | 94.9° |
| C14 | C15 | C16 | H22 | 102.7° | 95.0° |
| C15 | C14 | O14 | H75 | 1.9° | 176.1° |
| O9P | C9P | CAP | CBP | 84.4° | 104.5° |
| O9P | C9P | CAP | OAP | 39.1° | 15.5° |
| O9P | C9P | CAP | H46 | 156.7° | 135.5° |
| O9P | C9P | N8P | H71 | 167.4° | 176.6° |
| C9P | CAP | CBP | OAP | 122.5° | 120.0° |
| C9P | CAP | CBP | H46 | 119.0° | 120.0° |
| C9P | CAP | CBP | CEP | 58.4° | 55.7° |
| C9P | CAP | CBP | CCP | 176.9° | 175.8° |
| C9P | CAP | OAP | H46 | 117.0° | 120.0° |
| CAP | C9P | N8P | H71 | 11.0° | 3.4° |
| C9P | CAP | OAP | H87 | 15.9° | 59.9° |
| O7A | P3B | O3B | O8A | 119.8° | 120.1° |
| O7A | P3B | O3B | O9A | 121.1° | 120.0° |
| O7A | P3B | O8A | O9A | 124.2° | 120.0° |
| O7A | P3B | O8A | H85 | 0.0° | 180.0° |
| O7A | P3B | O9A | H86 | 0.0° | 59.9° |
| O3B | P3B | O8A | O9A | 115.4° | 120.0° |
| P3B | O3B | C3B | H33 | 38.1° | 1.2° |
| O3B | P3B | O8A | H85 | 120.4° | 60.0° |
| O3B | P3B | O9A | H86 | 120.3° | 180.0° |
| N6 | C6 | C5 | O5 | 1.8° | 0.0° |
| N6 | C6 | C5 | H3 | 180.0° | 180.0° |
| N6 | C6 | C5 | C4 | 179.1° | 120.0° |
| N6 | C6 | C5 | H2 | 89.5° | 120.0° |
| O16 | C16 | C15 | C17 | 117.9° | 118.9° |
| O16 | C16 | C15 | H22 | 121.7° | 119.0° |
| O16 | C16 | C15 | O18 | 146.7° | 142.6° |
| O16 | C16 | C17 | H22 | 121.0° | 122.4° |
| O16 | C16 | C17 | O17 | 62.3° | 69.6° |
| C16 | O16 | C13 | H8 | 127.0° | 78.4° |
| O16 | C16 | C15 | H9 | 92.4° | 94.8° |
| O16 | C16 | C17 | H10 | 57.5° | 170.4° |
| O16 | C16 | C17 | H11 | 177.8° | 50.4° |
| CAP | CBP | CEP | CCP | 119.1° | 120.0° |
| CBP | CAP | OAP | H46 | 117.8° | 120.0° |
| CAP | CBP | CCP | O6A | 54.4° | 180.0° |
| CAP | CBP | CCP | H47 | 174.3° | 60.0° |
| CAP | CBP | CCP | H48 | 65.6° | 60.0° |
| CAP | CBP | CDP | H49 | 180.0° | 67.1° |
| CAP | CBP | CDP | H50 | 60.0° | 172.9° |
| CAP | CBP | CDP | H51 | 60.0° | 52.8° |
| CAP | CBP | CEP | H52 | 58.1° | 60.1° |
| CAP | CBP | CEP | H53 | 178.1° | 180.0° |
| CAP | CBP | CEP | H54 | 61.9° | 60.0° |
| CBP | CAP | OAP | H87 | 109.3° | 60.0° |
| CEP | CBP | CAP | OAP | 64.1° | 64.3° |
| CEP | CBP | CCP | O6A | 176.4° | 60.0° |
| CEP | CBP | CAP | H46 | 177.5° | 175.8° |
| CEP | CBP | CCP | H47 | 63.7° | 60.0° |
| CEP | CBP | CCP | H48 | 56.4° | 180.0° |
| CEP | CBP | CDP | H49 | 56.3° | 52.8° |
| CEP | CBP | CDP | H50 | 176.3° | 67.1° |
| CEP | CBP | CDP | H51 | 63.7° | 172.8° |
| CBP | CEP | H52 | H53 | 120.0° | 119.9° |
| CBP | CEP | H52 | H54 | 120.0° | 120.1° |
| CBP | CEP | H53 | H54 | 120.0° | 120.0° |
| CCP | CBP | CAP | OAP | 54.4° | 55.8° |
| CBP | CCP | O6A | P2A | 144.1° | 180.0° |
| CBP | CCP | O6A | H47 | 120.0° | 120.0° |
| CBP | CCP | O6A | H48 | 120.0° | 120.0° |
| CCP | CBP | CAP | H46 | 64.0° | 64.2° |
| CBP | CCP | H47 | H48 | 120.2° | 120.0° |
| CCP | CBP | CDP | H49 | 60.8° | 172.9° |
| CCP | CBP | CDP | H50 | 59.2° | 52.9° |
| CCP | CBP | CDP | H51 | 179.2° | 67.2° |
| CCP | CBP | CEP | H52 | 61.0° | 60.0° |
| CCP | CBP | CEP | H53 | 59.0° | 60.0° |
| CCP | CBP | CEP | H54 | 179.0° | 180.0° |
| O4A | P2A | O6A | O5A | 127.0° | 120.0° |
| O4A | P2A | O6A | CCP | 174.0° | 55.0° |
| O4A | P2A | O5A | H83 | 0.0° | 179.9° |
| O5 | C1 | C2 | H18 | 119.0° | 120.0° |
| C1 | O5 | C5 | C6 | 151.3° | 178.8° |
| O5 | C1 | C2 | N2 | 179.1° | 177.6° |
| C1 | O5 | C5 | C4 | 31.4° | 61.2° |
| O5 | C1 | C2 | C3 | 61.0° | 57.6° |
| C1 | O5 | C5 | H2 | 60.0° | 58.9° |
| O5 | C1 | C2 | H26 | 58.7° | 62.3° |
| C2 | C1 | O5 | C5 | 44.0° | 61.2° |
| C1 | C2 | N2 | C3 | 120.4° | 119.7° |
| C1 | C2 | N2 | H26 | 120.0° | 120.1° |
| C1 | C2 | C3 | H26 | 119.6° | 119.9° |
| C1 | C2 | C3 | C4 | 62.3° | 57.0° |
| C1 | C2 | C3 | O3 | 178.4° | 176.9° |
| C1 | C2 | C3 | H32 | 57.6° | 62.9° |
| C1 | C2 | N2 | H57 | 180.0° | 60.0° |
| C1 | C2 | N2 | H58 | 60.0° | 176.0° |
| O8A | P3B | O9A | H86 | 122.9° | 60.0° |
| P2A | O6A | CCP | H47 | 24.1° | 60.0° |
| P2A | O6A | CCP | H48 | 96.0° | 60.0° |
| O6A | P2A | O5A | H83 | 123.2° | 60.1° |
| O5A | P2A | O6A | CCP | 47.0° | 65.0° |
| O5 | C5 | C6 | C4 | 177.3° | 119.9° |
| O5 | C5 | C6 | H2 | 91.3° | 120.0° |
| O5 | C5 | C4 | H2 | 91.4° | 120.0° |
| O5 | C5 | C4 | C3 | 32.1° | 57.6° |
| O5 | C5 | C4 | O4 | 152.1° | 177.6° |
| O5 | C5 | C4 | H1 | 87.4° | 62.3° |
| O5 | C5 | C6 | H3 | 178.2° | 179.9° |
| C5 | O5 | C1 | H18 | 162.3° | 178.8° |
| O6A | CCP | H47 | H48 | 120.1° | 120.1° |
| O9A | P3B | O8A | H85 | 124.2° | 60.0° |
| C6 | C5 | C4 | H2 | 91.4° | 120.0° |
| C6 | C5 | C4 | C3 | 150.7° | 177.6° |
| C6 | C5 | C4 | O4 | 30.6° | 62.4° |
| C6 | C5 | C4 | H1 | 89.8° | 57.7° |
| C5 | C6 | N6 | H65 | 180.0° | 180.0° |
| N2 | C2 | C3 | H26 | 120.0° | 120.2° |
| N2 | C2 | C3 | C4 | 177.3° | 176.9° |
| N2 | C2 | C3 | O3 | 58.0° | 63.2° |
| N2 | C2 | C1 | H18 | 60.1° | 62.4° |
| N2 | C2 | C3 | H32 | 62.8° | 57.0° |
| C2 | N2 | H57 | H58 | 120.0° | 123.9° |
| C16 | C15 | O18 | H9 | 120.2° | 122.6° |
| C15 | C16 | C17 | H22 | 120.1° | 122.2° |
| C16 | C15 | O18 | C18 | 145.4° | 150.0° |
| C15 | C16 | C17 | O17 | 56.6° | 175.0° |
| C15 | C16 | C17 | H10 | 176.4° | 55.0° |
| C15 | C16 | C17 | H11 | 63.2° | 65.0° |
| C16 | C15 | C14 | H21 | 126.9° | 118.7° |
| O18 | C15 | C16 | C17 | 95.4° | 98.5° |
| C15 | O18 | C18 | O22 | 41.6° | 70.0° |
| C15 | O18 | C18 | C19 | 170.5° | 170.2° |
| O18 | C15 | C14 | H21 | 104.3° | 122.7° |
| O18 | C15 | C16 | H22 | 25.0° | 23.7° |
| C15 | O18 | C18 | H23 | 74.2° | 50.1° |
| C5 | C4 | C3 | C2 | 46.4° | 57.0° |
| C5 | C4 | C3 | O4 | 121.1° | 119.9° |
| C5 | C4 | C3 | H1 | 119.6° | 120.0° |
| C5 | C4 | C3 | O3 | 165.6° | 176.9° |
| C5 | C4 | O4 | H1 | 119.8° | 120.1° |
| C4 | C5 | C6 | H3 | 0.9° | 60.0° |
| C5 | C4 | C3 | H32 | 73.6° | 62.9° |
| C5 | C4 | O4 | H82 | 180.0° | 60.1° |
| C2 | C3 | C4 | O3 | 119.2° | 119.9° |
| C2 | C3 | C4 | H32 | 120.0° | 119.9° |
| C2 | C3 | O3 | H32 | 120.1° | 120.2° |
| C2 | C3 | C4 | O4 | 167.5° | 176.9° |
| C2 | C3 | C4 | H1 | 73.2° | 62.9° |
| C3 | C2 | C1 | H18 | 180.0° | 177.6° |
| C3 | C2 | N2 | H57 | 59.6° | 179.7° |
| C3 | C2 | N2 | H58 | 60.4° | 56.4° |
| C2 | C3 | O3 | H81 | 180.0° | 180.0° |
| C4 | C3 | O3 | H32 | 120.0° | 120.2° |
| C3 | C4 | O4 | H1 | 118.6° | 120.2° |
| C3 | C4 | C5 | H2 | 59.3° | 62.4° |
| C4 | C3 | C2 | H26 | 57.3° | 62.9° |
| C4 | C3 | O3 | H81 | 60.1° | 60.4° |
| C3 | C4 | O4 | H82 | 58.4° | 179.8° |
| O3 | C3 | C4 | O4 | 73.3° | 63.2° |
| O3 | C3 | C4 | H1 | 46.0° | 56.9° |
| O3 | C3 | C2 | H26 | 61.9° | 57.0° |
| C16 | C17 | O17 | H10 | 119.8° | 120.1° |
| C16 | C17 | O17 | H11 | 119.8° | 120.0° |
| C17 | C16 | C15 | H9 | 25.5° | 24.1° |
| C16 | C17 | H10 | H11 | 120.5° | 120.0° |
| C16 | C17 | O17 | H76 | 180.0° | 180.0° |
| O18 | C18 | O22 | C19 | 127.6° | 119.9° |
| O18 | C18 | O22 | H23 | 115.8° | 120.1° |
| O18 | C18 | C19 | H23 | 116.0° | 120.1° |
| O18 | C18 | O22 | C22 | 103.2° | 173.5° |
| O18 | C18 | C19 | N23 | 16.4° | 58.7° |
| O18 | C18 | C19 | C20 | 140.5° | 178.7° |
| C18 | O18 | C15 | H9 | 25.2° | 27.4° |
| O18 | C18 | C19 | H24 | 101.0° | 61.3° |
| O4 | C4 | C5 | H2 | 60.7° | 57.6° |
| O4 | C4 | C3 | H32 | 47.5° | 57.1° |
| O22 | C18 | C19 | H23 | 117.2° | 120.0° |
| O22 | C18 | C19 | N23 | 110.5° | 61.2° |
| O22 | C18 | C19 | C20 | 13.6° | 58.8° |
| C18 | O22 | C22 | C21 | 21.8° | 50.6° |
| C18 | O22 | C22 | C23 | 159.7° | 129.4° |
| O22 | C18 | C19 | H24 | 132.2° | 178.7° |
| C19 | C18 | O22 | C22 | 24.4° | 53.6° |
| C18 | C19 | N23 | C20 | 126.2° | 120.0° |
| C18 | C19 | N23 | H24 | 116.9° | 120.0° |
| C18 | C19 | C20 | H24 | 118.5° | 120.0° |
| C18 | C19 | C20 | O20 | 65.6° | 59.8° |
| C18 | C19 | C20 | C21 | 55.7° | 60.1° |
| C18 | C19 | C20 | H12 | 174.6° | 179.9° |
| C18 | C19 | N23 | H60 | 180.0° | 60.0° |
| C18 | C19 | N23 | H61 | 60.0° | 176.1° |
| O17 | C17 | H10 | H11 | 120.5° | 120.0° |
| O17 | C17 | C16 | H22 | 176.7° | 52.8° |
| O22 | C22 | C21 | C20 | 19.9° | 48.6° |
| O22 | C22 | C21 | C23 | 178.5° | 180.0° |
| O22 | C22 | C21 | O21 | 100.6° | 71.1° |
| O22 | C22 | C23 | N19 | 179.4° | 174.2° |
| O22 | C22 | C21 | H13 | 138.1° | 168.4° |
| C22 | O22 | C18 | H23 | 141.0° | 66.3° |
| O22 | C22 | C23 | H27 | 0.6° | 5.9° |
| N23 | C19 | C20 | H24 | 117.3° | 120.0° |
| N23 | C19 | C20 | O20 | 170.2° | 179.8° |
| N23 | C19 | C20 | C21 | 68.5° | 59.9° |
| N23 | C19 | C20 | H12 | 50.4° | 59.9° |
| N23 | C19 | C18 | H23 | 132.4° | 178.8° |
| C19 | N23 | H60 | H61 | 120.0° | 123.9° |
| C19 | C20 | O20 | C21 | 122.4° | 119.5° |
| C19 | C20 | O20 | H12 | 119.1° | 120.3° |
| C19 | C20 | C21 | H12 | 118.8° | 119.8° |
| C19 | C20 | C21 | C22 | 56.8° | 52.3° |
| C19 | C20 | C21 | O21 | 63.8° | 67.4° |
| C19 | C20 | C21 | H13 | 175.2° | 172.1° |
| C20 | C19 | C18 | H23 | 103.6° | 61.2° |
| C20 | C19 | N23 | H60 | 53.8° | 180.0° |
| C20 | C19 | N23 | H61 | 66.2° | 56.1° |
| C19 | C20 | O20 | H78 | 180.0° | 179.5° |
| O20 | C20 | C21 | H12 | 119.3° | 120.2° |
| O20 | C20 | C21 | C22 | 65.2° | 67.7° |
| O20 | C20 | C21 | O21 | 174.3° | 172.6° |
| O20 | C20 | C21 | H13 | 53.3° | 52.1° |
| O20 | C20 | C19 | H24 | 52.9° | 60.1° |
| C20 | C21 | C22 | O21 | 120.6° | 119.7° |
| C20 | C21 | C22 | H13 | 118.2° | 119.7° |
| C20 | C21 | C22 | C23 | 158.6° | 131.4° |
| C20 | C21 | O21 | H13 | 120.3° | 120.6° |
| C21 | C20 | C19 | H24 | 174.2° | 180.0° |
| C21 | C20 | O20 | H78 | 57.6° | 60.0° |
| C20 | C21 | O21 | H79 | 180.0° | 180.0° |
| C22 | C21 | O21 | H13 | 120.7° | 120.6° |
| C21 | C22 | C23 | N19 | 0.9° | 5.8° |
| C22 | C21 | C20 | H12 | 175.6° | 172.1° |
| C21 | C22 | C23 | H27 | 179.1° | 174.1° |
| C22 | C21 | O21 | H79 | 60.9° | 61.1° |
| C23 | C22 | C21 | O21 | 80.9° | 108.9° |
| C22 | C23 | N19 | H27 | 180.0° | 180.0° |
| C23 | C22 | C21 | H13 | 40.4° | 11.6° |
| C22 | C23 | N19 | H55 | 180.0° | 7.1° |
| C22 | C23 | N19 | H56 | 60.0° | 173.1° |
| O21 | C21 | C20 | H12 | 55.0° | 52.4° |
| C23 | N19 | H55 | H56 | 120.0° | 179.9° |
| H1 | C4 | C5 | H2 | 178.8° | 177.7° |
| H1 | C4 | C3 | H32 | 166.8° | 177.2° |
| H1 | C4 | O4 | H82 | 60.2° | 60.0° |
| H2 | C5 | C6 | H3 | 90.5° | 60.0° |
| H3 | C6 | N6 | H65 | 0.1° | 0.0° |
| H4 | C7 | C8 | H5 | 177.5° | 180.0° |
| H4 | C7 | C8 | H6 | 58.4° | 60.0° |
| H4 | C7 | C12 | H20 | 176.8° | 179.9° |
| H4 | C7 | N7 | H68 | 59.4° | 59.9° |
| H4 | C7 | N7 | H69 | 60.6° | 176.1° |
| H5 | C8 | C9 | H45 | 172.7° | 180.0° |
| H6 | C8 | C9 | H45 | 53.6° | 60.0° |
| H7 | C10 | C11 | H19 | 166.3° | 180.0° |
| H7 | C10 | C9 | H45 | 169.9° | 180.0° |
| H8 | C13 | C14 | H21 | 129.6° | 146.5° |
| H9 | C15 | C14 | H21 | 15.9° | 0.0° |
| H9 | C15 | C16 | H22 | 145.8° | 146.2° |
| H10 | C17 | C16 | H22 | 63.5° | 67.2° |
| H10 | C17 | O17 | H76 | 60.2° | 60.0° |
| H11 | C17 | C16 | H22 | 56.9° | 172.8° |
| H11 | C17 | O17 | H76 | 60.2° | 60.0° |
| H12 | C20 | C21 | H13 | 66.0° | 68.1° |
| H12 | C20 | C19 | H24 | 66.9° | 60.2° |
| H12 | C20 | O20 | H78 | 61.0° | 60.2° |
| H13 | C21 | O21 | H79 | 59.7° | 59.5° |
| H15 | CH3 | H16 | H17 | 120.0° | 120.0° |
| H18 | C1 | C2 | H26 | 60.3° | 57.7° |
| H19 | C11 | C12 | H20 | 174.7° | 180.0° |
| H20 | C12 | O12 | H74 | 60.9° | 60.0° |
| H21 | C14 | O14 | H75 | 89.0° | 61.3° |
| H23 | C18 | C19 | H24 | 15.0° | 58.8° |
| H24 | C19 | N23 | H60 | 63.1° | 60.0° |
| H24 | C19 | N23 | H61 | 176.9° | 64.0° |
| H25 | C1B | C2B | H29 | 137.4° | 146.5° |
| H26 | C2 | C3 | H32 | 177.3° | 177.2° |
| H26 | C2 | N2 | H57 | 60.0° | 60.1° |
| H26 | C2 | N2 | H58 | 180.0° | 63.9° |
| H27 | C23 | N19 | H55 | 0.0° | 173.0° |
| H27 | C23 | N19 | H56 | 120.0° | 6.9° |
| H29 | C2B | C3B | H33 | 22.4° | 0.1° |
| H29 | C2B | O2B | H80 | 86.7° | 61.2° |
| H30 | C2P | C3P | H34 | 144.9° | 60.0° |
| H30 | C2P | C3P | H35 | 93.8° | 179.9° |
| H31 | C2P | C3P | H34 | 95.7° | 179.9° |
| H31 | C2P | C3P | H35 | 25.6° | 60.0° |
| H32 | C3 | O3 | H81 | 60.0° | 59.8° |
| H33 | C3B | C4B | H36 | 164.2° | 146.5° |
| H34 | C3P | N4P | H63 | 175.6° | 176.1° |
| H35 | C3P | N4P | H63 | 54.3° | 64.0° |
| H36 | C4B | C5B | H37 | 174.6° | 67.3° |
| H36 | C4B | C5B | H38 | 63.9° | 172.8° |
| H39 | C5P | C6P | H40 | 150.7° | 174.9° |
| H39 | C5P | C6P | H41 | 87.6° | 65.0° |
| H39 | C5P | N4P | H63 | 173.2° | 143.9° |
| H39 | C5P | O5P | H84 | 62.6° | 180.0° |
| H40 | C6P | C7P | H42 | 171.4° | 180.0° |
| H40 | C6P | C7P | H43 | 52.3° | 60.0° |
| H41 | C6P | C7P | H42 | 66.9° | 60.0° |
| H41 | C6P | C7P | H43 | 174.0° | 180.0° |
| H42 | C7P | N8P | H71 | 129.5° | 120.0° |
| H43 | C7P | N8P | H71 | 10.4° | 120.0° |
| H45 | C9 | N9 | H72 | 117.1° | 104.9° |
| H46 | CAP | OAP | H87 | 132.9° | 180.0° |
| H49 | CDP | H50 | H51 | 120.0° | 119.9° |
| H52 | CEP | H53 | H54 | 120.0° | 120.1° |
