A1L1A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1A | C2A | doub | 1.32Å | 1.31Å | Aromatic |
| N1A | C6A | sing | 1.33Å | 1.31Å | Aromatic |
| C2A | N3A | sing | 1.32Å | 1.29Å | Aromatic |
| N6A | C6A | sing | 1.38Å | 1.43Å | |
| C6A | C5A | doub | 1.40Å | 1.39Å | Aromatic |
| N3A | C4A | doub | 1.33Å | 1.31Å | Aromatic |
| C5A | C4A | sing | 1.41Å | 1.36Å | Aromatic |
| C5A | N7A | sing | 1.36Å | 1.32Å | Aromatic |
| C4A | N9A | sing | 1.37Å | 1.27Å | Aromatic |
| N7A | C8A | doub | 1.30Å | 1.28Å | Aromatic |
| N9A | C1B | sing | 1.47Å | 1.36Å | |
| N9A | C8A | sing | 1.36Å | 1.29Å | Aromatic |
| O2B | C2B | sing | 1.43Å | 1.45Å | |
| C1B | C2B | sing | 1.54Å | 1.60Å | |
| C1B | O4B | sing | 1.45Å | 1.27Å | |
| C2B | C3B | sing | 1.54Å | 1.31Å | |
| O9A | P3B | doub | 1.48Å | 1.50Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| O4B | C4B | sing | 1.44Å | 1.47Å | |
| C3B | C4B | sing | 1.54Å | 1.53Å | |
| C3B | O3B | sing | 1.43Å | 1.39Å | |
| C4B | C5B | sing | 1.53Å | 1.47Å | |
| P3B | O3B | sing | 1.61Å | 1.61Å | |
| P3B | O8A | sing | 1.61Å | 1.49Å | |
| P3B | O7A | sing | 1.61Å | 1.48Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C02 | C04 | sing | 1.53Å | 1.54Å | |
| C04 | C05 | sing | 1.53Å | 1.54Å | |
| C5B | O5B | sing | 1.43Å | 1.35Å | |
| O5B | P1A | sing | 1.61Å | 1.58Å | |
| O2A | P1A | doub | 1.48Å | 1.45Å | |
| C05 | C06 | sing | 1.53Å | 1.55Å | |
| P1A | O1A | sing | 1.61Å | 1.48Å | |
| P1A | O3A | sing | 1.61Å | 1.60Å | |
| C06 | C07 | sing | 1.53Å | 1.55Å | |
| O3A | P2A | sing | 1.61Å | 1.61Å | |
| O4A | P2A | doub | 1.48Å | 1.46Å | |
| C07 | C09 | sing | 1.53Å | 1.53Å | |
| C07 | C08 | sing | 1.53Å | 1.51Å | |
| P2A | O6A | sing | 1.61Å | 1.60Å | |
| P2A | O5A | sing | 1.61Å | 1.50Å | |
| C09 | C10 | sing | 1.53Å | 1.55Å | |
| O6A | CCP | sing | 1.43Å | 1.37Å | |
| CCP | CBP | sing | 1.53Å | 1.50Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| OAP | CAP | sing | 1.43Å | 1.39Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| CAP | CBP | sing | 1.53Å | 1.50Å | |
| CAP | C9P | sing | 1.51Å | 1.50Å | |
| CBP | CDP | sing | 1.53Å | 1.53Å | |
| CBP | CEP | sing | 1.53Å | 1.55Å | |
| O9P | C9P | doub | 1.21Å | 1.12Å | |
| C9P | N8P | sing | 1.35Å | 1.43Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | C14 | sing | 1.53Å | 1.55Å | |
| N8P | C7P | sing | 1.47Å | 1.43Å | |
| C7P | C6P | sing | 1.53Å | 1.50Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| O5P | C5P | doub | 1.21Å | 1.15Å | |
| C5P | C6P | sing | 1.51Å | 1.49Å | |
| C5P | N4P | sing | 1.35Å | 1.43Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| N4P | C3P | sing | 1.46Å | 1.46Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | C19 | sing | 1.53Å | 1.56Å | |
| S1P | C20 | sing | 1.71Å | 1.79Å | |
| S1P | C2P | sing | 1.81Å | 1.78Å | |
| C3P | C2P | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.51Å | 1.56Å | |
| C20 | O21 | doub | 1.21Å | 1.17Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C3P | H8 | sing | 1.09Å | 1.10Å | |
| C6P | H9 | sing | 1.09Å | 1.10Å | |
| C6P | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C02 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| C03 | H16 | sing | 1.09Å | 1.10Å | |
| C03 | H17 | sing | 1.09Å | 1.10Å | |
| C04 | H18 | sing | 1.09Å | 1.10Å | |
| C05 | H19 | sing | 1.09Å | 1.10Å | |
| C06 | H20 | sing | 1.09Å | 1.10Å | |
| C06 | H21 | sing | 1.09Å | 1.10Å | |
| C07 | H22 | sing | 1.09Å | 1.10Å | |
| C08 | H23 | sing | 1.09Å | 1.10Å | |
| C08 | H24 | sing | 1.09Å | 1.10Å | |
| C08 | H25 | sing | 1.09Å | 1.10Å | |
| C09 | H26 | sing | 1.09Å | 1.10Å | |
| C09 | H27 | sing | 1.09Å | 1.10Å | |
| C11 | H28 | sing | 1.09Å | 1.10Å | |
| C11 | H29 | sing | 1.09Å | 1.10Å | |
| C12 | H30 | sing | 1.09Å | 1.10Å | |
| C14 | H31 | sing | 1.09Å | 1.10Å | |
| C16 | H32 | sing | 1.09Å | 1.10Å | |
| C16 | H33 | sing | 1.09Å | 1.10Å | |
| C18 | H34 | sing | 1.09Å | 1.10Å | |
| C18 | H35 | sing | 1.09Å | 1.10Å | |
| C18 | H36 | sing | 1.09Å | 1.10Å | |
| C19 | H37 | sing | 1.09Å | 1.10Å | |
| C19 | H38 | sing | 1.09Å | 1.10Å | |
| C2P | H39 | sing | 1.09Å | 1.10Å | |
| C2P | H40 | sing | 1.09Å | 1.10Å | |
| C7P | H41 | sing | 1.09Å | 1.10Å | |
| C7P | H42 | sing | 1.09Å | 1.10Å | |
| CAP | H43 | sing | 1.09Å | 1.10Å | |
| CEP | H44 | sing | 1.09Å | 1.10Å | |
| CEP | H45 | sing | 1.09Å | 1.10Å | |
| CEP | H46 | sing | 1.09Å | 1.10Å | |
| CDP | H47 | sing | 1.09Å | 1.10Å | |
| CDP | H48 | sing | 1.09Å | 1.10Å | |
| CDP | H49 | sing | 1.09Å | 1.10Å | |
| CCP | H50 | sing | 1.09Å | 1.10Å | |
| CCP | H51 | sing | 1.09Å | 1.10Å | |
| C5B | H52 | sing | 1.09Å | 1.10Å | |
| C5B | H53 | sing | 1.09Å | 1.10Å | |
| C4B | H54 | sing | 1.09Å | 1.10Å | |
| C3B | H55 | sing | 1.09Å | 1.10Å | |
| C2B | H56 | sing | 1.09Å | 1.10Å | |
| C1B | H57 | sing | 1.09Å | 1.10Å | |
| C8A | H58 | sing | 1.08Å | 1.08Å | |
| C2A | H59 | sing | 1.08Å | 1.08Å | |
| N8P | H60 | sing | 0.97Å | 1.00Å | |
| N6A | H61 | sing | 0.97Å | 1.00Å | |
| N6A | H62 | sing | 0.97Å | 1.00Å | |
| O5A | H63 | sing | 0.97Å | 0.95Å | |
| O1A | H64 | sing | 0.97Å | 0.95Å | |
| O2B | H65 | sing | 0.97Å | 0.95Å | |
| O7A | H66 | sing | 0.97Å | 0.95Å | |
| O8A | H67 | sing | 0.97Å | 0.95Å | |
| OAP | H68 | sing | 0.97Å | 0.95Å | |
| C15 | H69 | sing | 1.09Å | 1.10Å | |
| C04 | H70 | sing | 1.09Å | 1.10Å | |
| C05 | H71 | sing | 1.09Å | 1.10Å | |
| C14 | H72 | sing | 1.09Å | 1.10Å | |
| C3P | H73 | sing | 1.09Å | 1.10Å | |
| N4P | H74 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2A | N1A | C6A | 120.8° | 121.2° |
| N1A | C2A | N3A | 120.4° | 122.4° |
| N1A | C2A | H59 | 119.8° | 118.8° |
| N1A | C6A | N6A | 121.7° | 120.8° |
| N1A | C6A | C5A | 118.9° | 118.4° |
| C2A | N3A | C4A | 123.6° | 120.7° |
| N3A | C2A | H59 | 119.8° | 118.7° |
| N6A | C6A | C5A | 119.4° | 120.8° |
| C6A | N6A | H61 | 109.5° | 120.0° |
| C6A | N6A | H62 | 109.5° | 120.0° |
| C6A | C5A | C4A | 119.1° | 118.2° |
| C6A | C5A | N7A | 131.8° | 134.7° |
| N3A | C4A | C5A | 117.2° | 119.1° |
| N3A | C4A | N9A | 137.5° | 134.9° |
| C4A | C5A | N7A | 109.1° | 107.1° |
| C5A | C4A | N9A | 104.0° | 106.0° |
| C5A | N7A | C8A | 105.4° | 109.4° |
| C4A | N9A | C1B | 118.4° | 126.3° |
| C4A | N9A | C8A | 110.6° | 107.5° |
| N7A | C8A | N9A | 109.6° | 110.0° |
| N7A | C8A | H58 | 125.2° | 125.0° |
| C1B | N9A | C8A | 126.8° | 126.3° |
| N9A | C1B | C2B | 92.9° | 110.4° |
| N9A | C1B | O4B | 105.9° | 110.4° |
| N9A | C1B | H57 | 117.0° | 110.4° |
| N9A | C8A | H58 | 125.2° | 125.0° |
| O2B | C2B | C1B | 120.1° | 110.6° |
| O2B | C2B | C3B | 125.7° | 110.5° |
| O2B | C2B | H56 | 100.3° | 110.5° |
| C2B | O2B | H65 | 109.5° | 114.0° |
| C2B | C1B | O4B | 105.6° | 104.9° |
| C1B | C2B | C3B | 104.5° | 104.1° |
| C1B | C2B | H56 | 99.3° | 110.5° |
| C2B | C1B | H57 | 112.7° | 110.4° |
| C1B | O4B | C4B | 101.5° | 105.2° |
| O4B | C1B | H57 | 119.2° | 110.3° |
| C2B | C3B | C4B | 98.5° | 104.1° |
| C2B | C3B | O3B | 119.1° | 110.5° |
| C2B | C3B | H55 | 107.3° | 110.6° |
| C3B | C2B | H56 | 101.4° | 110.5° |
| O9A | P3B | O3B | 107.9° | 109.5° |
| O9A | P3B | O8A | 109.2° | 109.4° |
| O9A | P3B | O7A | 115.2° | 109.5° |
| C03 | C02 | C01 | 109.2° | 109.5° |
| C03 | C02 | C04 | 116.3° | 109.5° |
| C03 | C02 | H14 | 104.4° | 109.5° |
| C02 | C03 | H15 | 109.5° | 109.5° |
| C02 | C03 | H16 | 109.5° | 109.5° |
| C02 | C03 | H17 | 109.5° | 109.4° |
| O4B | C4B | C3B | 98.3° | 104.9° |
| O4B | C4B | C5B | 113.0° | 110.4° |
| O4B | C4B | H54 | 108.7° | 110.4° |
| C4B | C3B | O3B | 119.7° | 110.5° |
| C3B | C4B | C5B | 119.3° | 110.3° |
| C3B | C4B | H54 | 108.0° | 110.4° |
| C4B | C3B | H55 | 104.7° | 110.5° |
| C3B | O3B | P3B | 122.6° | 123.0° |
| O3B | C3B | H55 | 106.2° | 110.4° |
| C4B | C5B | O5B | 106.6° | 109.4° |
| C4B | C5B | H52 | 110.2° | 109.5° |
| C4B | C5B | H53 | 110.2° | 109.5° |
| C5B | C4B | H54 | 108.8° | 110.3° |
| O3B | P3B | O8A | 115.4° | 109.5° |
| O3B | P3B | O7A | 105.0° | 109.5° |
| O8A | P3B | O7A | 104.5° | 109.5° |
| P3B | O8A | H67 | 109.5° | 114.0° |
| P3B | O7A | H66 | 109.5° | 114.0° |
| C01 | C02 | C04 | 116.5° | 109.5° |
| C02 | C01 | H11 | 109.5° | 109.5° |
| C02 | C01 | H12 | 109.4° | 109.5° |
| C02 | C01 | H13 | 109.5° | 109.5° |
| C01 | C02 | H14 | 104.5° | 109.5° |
| C02 | C04 | C05 | 117.9° | 109.4° |
| C04 | C02 | H14 | 104.3° | 109.4° |
| C02 | C04 | H18 | 107.3° | 109.5° |
| C02 | C04 | H70 | 107.3° | 109.4° |
| C04 | C05 | C06 | 115.2° | 109.4° |
| C05 | C04 | H18 | 107.3° | 109.5° |
| C04 | C05 | H19 | 108.0° | 109.4° |
| C05 | C04 | H70 | 107.3° | 109.5° |
| C04 | C05 | H71 | 108.0° | 109.5° |
| C5B | O5B | P1A | 111.7° | 123.0° |
| O5B | C5B | H52 | 110.2° | 109.5° |
| O5B | C5B | H53 | 110.1° | 109.4° |
| O5B | P1A | O2A | 113.7° | 109.4° |
| O5B | P1A | O1A | 102.6° | 109.5° |
| O5B | P1A | O3A | 120.3° | 109.5° |
| O2A | P1A | O1A | 116.8° | 109.5° |
| O2A | P1A | O3A | 99.1° | 109.5° |
| C05 | C06 | C07 | 119.1° | 109.5° |
| C06 | C05 | H19 | 108.0° | 109.4° |
| C05 | C06 | H20 | 107.0° | 109.4° |
| C05 | C06 | H21 | 107.0° | 109.5° |
| C06 | C05 | H71 | 108.0° | 109.5° |
| O1A | P1A | O3A | 104.8° | 109.5° |
| P1A | O1A | H64 | 109.5° | 114.0° |
| P1A | O3A | P2A | 111.6° | 134.0° |
| C06 | C07 | C09 | 117.5° | 109.5° |
| C06 | C07 | C08 | 112.2° | 109.5° |
| C07 | C06 | H20 | 107.0° | 109.4° |
| C07 | C06 | H21 | 107.0° | 109.5° |
| C06 | C07 | H22 | 108.0° | 109.4° |
| O3A | P2A | O4A | 104.2° | 109.5° |
| O3A | P2A | O6A | 107.5° | 109.5° |
| O3A | P2A | O5A | 115.4° | 109.5° |
| O4A | P2A | O6A | 109.6° | 109.5° |
| O4A | P2A | O5A | 111.7° | 109.5° |
| C09 | C07 | C08 | 101.8° | 109.5° |
| C07 | C09 | C10 | 113.1° | 109.5° |
| C09 | C07 | H22 | 108.3° | 109.4° |
| C07 | C09 | H26 | 108.5° | 109.5° |
| C07 | C09 | H27 | 108.5° | 109.5° |
| C08 | C07 | H22 | 108.6° | 109.5° |
| C07 | C08 | H23 | 109.5° | 109.5° |
| C07 | C08 | H24 | 109.5° | 109.5° |
| C07 | C08 | H25 | 109.5° | 109.4° |
| O6A | P2A | O5A | 108.3° | 109.5° |
| P2A | O6A | CCP | 112.6° | 123.0° |
| P2A | O5A | H63 | 109.5° | 114.0° |
| C09 | C10 | C11 | 112.8° | 109.5° |
| C09 | C10 | H1 | 108.6° | 109.5° |
| C09 | C10 | H2 | 108.6° | 109.4° |
| C10 | C09 | H26 | 108.6° | 109.4° |
| C10 | C09 | H27 | 108.6° | 109.5° |
| O6A | CCP | CBP | 108.2° | 109.5° |
| O6A | CCP | H50 | 109.8° | 109.5° |
| O6A | CCP | H51 | 109.8° | 109.5° |
| CCP | CBP | CAP | 98.8° | 109.5° |
| CCP | CBP | CDP | 104.6° | 109.5° |
| CCP | CBP | CEP | 114.5° | 109.5° |
| CBP | CCP | H50 | 109.8° | 109.4° |
| CBP | CCP | H51 | 109.8° | 109.5° |
| C10 | C11 | C12 | 117.1° | 109.4° |
| C11 | C10 | H1 | 108.6° | 109.5° |
| C11 | C10 | H2 | 108.6° | 109.4° |
| C10 | C11 | H28 | 107.5° | 109.5° |
| C10 | C11 | H29 | 107.5° | 109.4° |
| OAP | CAP | CBP | 109.2° | 109.5° |
| OAP | CAP | C9P | 119.3° | 109.5° |
| OAP | CAP | H43 | 99.9° | 109.4° |
| CAP | OAP | H68 | 109.5° | 114.0° |
| C11 | C12 | C13 | 109.6° | 109.5° |
| C11 | C12 | C14 | 112.9° | 109.5° |
| C12 | C11 | H28 | 107.5° | 109.5° |
| C12 | C11 | H29 | 107.5° | 109.5° |
| C11 | C12 | H30 | 107.2° | 109.5° |
| CBP | CAP | C9P | 123.5° | 109.5° |
| CAP | CBP | CDP | 118.2° | 109.4° |
| CAP | CBP | CEP | 106.2° | 109.5° |
| CBP | CAP | H43 | 99.2° | 109.5° |
| CAP | C9P | O9P | 114.3° | 120.0° |
| CAP | C9P | N8P | 132.0° | 120.0° |
| C9P | CAP | H43 | 99.2° | 109.5° |
| CDP | CBP | CEP | 113.8° | 109.4° |
| CBP | CDP | H47 | 109.5° | 109.4° |
| CBP | CDP | H48 | 109.5° | 109.5° |
| CBP | CDP | H49 | 109.5° | 109.5° |
| CBP | CEP | H44 | 109.5° | 109.5° |
| CBP | CEP | H45 | 109.5° | 109.5° |
| CBP | CEP | H46 | 109.5° | 109.4° |
| O9P | C9P | N8P | 113.7° | 120.0° |
| C9P | N8P | C7P | 125.4° | 120.0° |
| C9P | N8P | H60 | 117.3° | 120.0° |
| C13 | C12 | C14 | 112.4° | 109.4° |
| C12 | C13 | H3 | 109.5° | 109.5° |
| C12 | C13 | H4 | 109.5° | 109.5° |
| C12 | C13 | H5 | 109.5° | 109.5° |
| C13 | C12 | H30 | 107.3° | 109.5° |
| C12 | C14 | C15 | 116.7° | 109.5° |
| C14 | C12 | H30 | 107.0° | 109.4° |
| C12 | C14 | H31 | 107.6° | 109.4° |
| C12 | C14 | H72 | 107.6° | 109.5° |
| N8P | C7P | C6P | 105.2° | 109.4° |
| N8P | C7P | H41 | 110.5° | 109.4° |
| N8P | C7P | H42 | 110.5° | 109.5° |
| C7P | N8P | H60 | 117.3° | 120.0° |
| C7P | C6P | C5P | 109.0° | 109.5° |
| C7P | C6P | H9 | 109.6° | 109.5° |
| C7P | C6P | H10 | 109.6° | 109.5° |
| C6P | C7P | H41 | 110.5° | 109.5° |
| C6P | C7P | H42 | 110.6° | 109.5° |
| C14 | C15 | C16 | 115.2° | 109.5° |
| C14 | C15 | H6 | 108.0° | 109.5° |
| C15 | C14 | H31 | 107.6° | 109.4° |
| C14 | C15 | H69 | 108.0° | 109.5° |
| C15 | C14 | H72 | 107.6° | 109.5° |
| O5P | C5P | C6P | 117.2° | 120.0° |
| O5P | C5P | N4P | 119.2° | 120.1° |
| C6P | C5P | N4P | 123.6° | 120.0° |
| C5P | C6P | H9 | 109.6° | 109.5° |
| C5P | C6P | H10 | 109.6° | 109.5° |
| C5P | N4P | C3P | 127.4° | 119.9° |
| C5P | N4P | H74 | 116.3° | 120.0° |
| C15 | C16 | C17 | 113.0° | 109.5° |
| C16 | C15 | H6 | 108.0° | 109.4° |
| C15 | C16 | H32 | 108.6° | 109.4° |
| C15 | C16 | H33 | 108.6° | 109.5° |
| C16 | C15 | H69 | 108.0° | 109.4° |
| C16 | C17 | C18 | 107.5° | 109.5° |
| C16 | C17 | C19 | 115.8° | 109.5° |
| C16 | C17 | H7 | 106.6° | 109.5° |
| C17 | C16 | H32 | 108.6° | 109.5° |
| C17 | C16 | H33 | 108.6° | 109.5° |
| N4P | C3P | C2P | 115.5° | 109.4° |
| N4P | C3P | H8 | 108.0° | 109.5° |
| N4P | C3P | H73 | 108.0° | 109.5° |
| C3P | N4P | H74 | 116.3° | 120.1° |
| C18 | C17 | C19 | 113.2° | 109.5° |
| C18 | C17 | H7 | 106.8° | 109.4° |
| C17 | C18 | H34 | 109.5° | 109.5° |
| C17 | C18 | H35 | 109.5° | 109.5° |
| C17 | C18 | H36 | 109.5° | 109.5° |
| C17 | C19 | C20 | 121.2° | 109.4° |
| C19 | C17 | H7 | 106.4° | 109.5° |
| C17 | C19 | H37 | 106.5° | 109.5° |
| C17 | C19 | H38 | 106.5° | 109.5° |
| C20 | S1P | C2P | 116.7° | 100.0° |
| S1P | C20 | C19 | 124.6° | 120.0° |
| S1P | C20 | O21 | 112.6° | 120.0° |
| S1P | C2P | C3P | 102.1° | 109.5° |
| S1P | C2P | H39 | 111.3° | 109.5° |
| S1P | C2P | H40 | 111.3° | 109.5° |
| C2P | C3P | H8 | 108.0° | 109.5° |
| C3P | C2P | H39 | 111.3° | 109.4° |
| C3P | C2P | H40 | 111.3° | 109.5° |
| C2P | C3P | H73 | 107.9° | 109.4° |
| C19 | C20 | O21 | 122.8° | 120.0° |
| C20 | C19 | H37 | 106.5° | 109.4° |
| C20 | C19 | H38 | 106.5° | 109.5° |
| H1 | C10 | H2 | 109.4° | 109.5° |
| H3 | C13 | H4 | 109.4° | 109.5° |
| H3 | C13 | H5 | 109.5° | 109.5° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H6 | C15 | H69 | 109.5° | 109.5° |
| H8 | C3P | H73 | 109.5° | 109.5° |
| H9 | C6P | H10 | 109.5° | 109.5° |
| H11 | C01 | H12 | 109.5° | 109.5° |
| H11 | C01 | H13 | 109.5° | 109.4° |
| H12 | C01 | H13 | 109.5° | 109.5° |
| H15 | C03 | H16 | 109.5° | 109.5° |
| H15 | C03 | H17 | 109.4° | 109.5° |
| H16 | C03 | H17 | 109.4° | 109.5° |
| H18 | C04 | H70 | 109.5° | 109.5° |
| H19 | C05 | H71 | 109.5° | 109.5° |
| H20 | C06 | H21 | 109.5° | 109.5° |
| H23 | C08 | H24 | 109.5° | 109.5° |
| H23 | C08 | H25 | 109.5° | 109.4° |
| H24 | C08 | H25 | 109.5° | 109.5° |
| H26 | C09 | H27 | 109.4° | 109.5° |
| H28 | C11 | H29 | 109.5° | 109.4° |
| H31 | C14 | H72 | 109.5° | 109.5° |
| H32 | C16 | H33 | 109.4° | 109.5° |
| H34 | C18 | H35 | 109.4° | 109.5° |
| H34 | C18 | H36 | 109.5° | 109.4° |
| H35 | C18 | H36 | 109.5° | 109.4° |
| H37 | C19 | H38 | 109.5° | 109.5° |
| H39 | C2P | H40 | 109.5° | 109.4° |
| H41 | C7P | H42 | 109.5° | 109.5° |
| H44 | CEP | H45 | 109.4° | 109.5° |
| H44 | CEP | H46 | 109.5° | 109.5° |
| H45 | CEP | H46 | 109.5° | 109.4° |
| H47 | CDP | H48 | 109.4° | 109.4° |
| H47 | CDP | H49 | 109.5° | 109.5° |
| H48 | CDP | H49 | 109.5° | 109.5° |
| H50 | CCP | H51 | 109.5° | 109.5° |
| H52 | C5B | H53 | 109.5° | 109.5° |
| H61 | N6A | H62 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1A | C2A | N3A | H59 | 180.0° | 179.9° |
| C2A | N1A | C6A | N6A | 179.6° | 179.9° |
| C2A | N1A | C6A | C5A | 0.8° | 0.0° |
| N1A | C2A | N3A | C4A | 0.5° | 0.1° |
| C6A | N1A | C2A | N3A | 0.4° | 0.1° |
| N1A | C6A | N6A | C5A | 179.6° | 180.0° |
| N1A | C6A | C5A | C4A | 0.4° | 0.0° |
| N1A | C6A | C5A | N7A | 177.3° | 180.0° |
| C6A | N1A | C2A | H59 | 179.6° | 180.0° |
| N1A | C6A | N6A | H61 | 0.0° | 180.0° |
| N1A | C6A | N6A | H62 | 120.0° | 0.1° |
| C2A | N3A | C4A | C5A | 0.8° | 0.1° |
| C2A | N3A | C4A | N9A | 165.7° | 180.0° |
| N6A | C6A | C5A | C4A | 180.0° | 180.0° |
| N6A | C6A | C5A | N7A | 3.1° | 0.1° |
| C6A | N6A | H61 | H62 | 120.0° | 179.9° |
| C6A | C5A | C4A | N3A | 0.4° | 0.0° |
| C6A | C5A | C4A | N7A | 177.5° | 180.0° |
| C6A | C5A | C4A | N9A | 169.9° | 180.0° |
| C6A | C5A | N7A | C8A | 175.7° | 179.8° |
| C5A | C6A | N6A | H61 | 179.6° | 0.1° |
| C5A | C6A | N6A | H62 | 60.4° | 180.0° |
| N3A | C4A | C5A | N9A | 169.5° | 180.0° |
| N3A | C4A | C5A | N7A | 177.1° | 180.0° |
| N3A | C4A | N9A | C1B | 24.4° | 0.2° |
| N3A | C4A | N9A | C8A | 177.1° | 179.8° |
| C4A | N3A | C2A | H59 | 179.5° | 180.0° |
| C4A | C5A | N7A | C8A | 1.5° | 0.2° |
| C5A | C4A | N9A | C1B | 169.4° | 179.9° |
| C5A | C4A | N9A | C8A | 11.0° | 0.1° |
| N7A | C5A | C4A | N9A | 7.6° | 0.0° |
| C5A | N7A | C8A | N9A | 5.3° | 0.3° |
| C5A | N7A | C8A | H58 | 174.7° | 180.0° |
| C4A | N9A | C8A | N7A | 10.7° | 0.2° |
| C4A | N9A | C1B | C8A | 154.6° | 180.0° |
| C4A | N9A | C1B | C2B | 92.8° | 85.0° |
| C4A | N9A | C1B | O4B | 160.0° | 159.5° |
| C4A | N9A | C1B | H57 | 24.5° | 37.3° |
| C4A | N9A | C8A | H58 | 169.2° | 180.0° |
| N7A | C8A | N9A | C1B | 167.0° | 179.8° |
| N7A | C8A | N9A | H58 | 180.0° | 179.7° |
| N9A | C1B | C2B | O2B | 42.8° | 24.1° |
| N9A | C1B | C2B | O4B | 107.4° | 118.9° |
| N9A | C1B | C2B | H57 | 120.9° | 122.4° |
| N9A | C1B | O4B | H57 | 134.3° | 122.3° |
| N9A | C1B | C2B | C3B | 105.1° | 142.8° |
| N9A | C1B | O4B | C4B | 129.4° | 159.2° |
| N9A | C1B | C2B | H56 | 150.5° | 98.5° |
| C1B | N9A | C8A | H58 | 13.0° | 0.0° |
| C8A | N9A | C1B | C2B | 61.8° | 95.0° |
| C8A | N9A | C1B | O4B | 45.4° | 20.5° |
| C8A | N9A | C1B | H57 | 179.1° | 142.7° |
| O2B | C2B | C1B | C3B | 147.9° | 118.7° |
| O2B | C2B | C1B | H56 | 107.7° | 122.6° |
| O2B | C2B | C1B | O4B | 150.1° | 94.8° |
| O2B | C2B | C3B | H56 | 111.6° | 122.6° |
| O2B | C2B | C3B | C4B | 178.8° | 118.8° |
| O2B | C2B | C3B | O3B | 47.7° | 0.1° |
| O2B | C2B | C3B | H55 | 72.8° | 122.5° |
| O2B | C2B | C1B | H57 | 78.1° | 146.5° |
| C2B | C1B | O4B | H57 | 127.9° | 118.8° |
| C1B | C2B | C3B | H56 | 102.9° | 118.7° |
| C2B | C1B | O4B | C4B | 31.7° | 40.4° |
| C1B | C2B | C3B | C4B | 33.3° | 0.0° |
| C1B | C2B | C3B | O3B | 97.8° | 118.6° |
| C1B | C2B | C3B | H55 | 141.7° | 118.7° |
| C1B | C2B | O2B | H65 | 119.5° | 65.3° |
| O4B | C1B | C2B | C3B | 2.3° | 23.9° |
| C1B | O4B | C4B | C3B | 52.4° | 40.4° |
| C1B | O4B | C4B | C5B | 179.2° | 159.2° |
| C1B | O4B | C4B | H54 | 59.9° | 78.6° |
| O4B | C1B | C2B | H56 | 102.1° | 142.6° |
| C2B | C3B | C4B | O4B | 52.8° | 24.0° |
| C2B | C3B | C4B | O3B | 130.6° | 118.7° |
| C2B | C3B | C4B | H55 | 110.5° | 118.8° |
| C2B | C3B | O3B | H55 | 121.1° | 122.8° |
| C2B | C3B | C4B | C5B | 175.1° | 142.8° |
| C2B | C3B | O3B | P3B | 57.8° | 125.3° |
| C2B | C3B | C4B | H54 | 60.1° | 94.9° |
| C3B | C2B | C1B | H57 | 134.0° | 94.8° |
| C3B | C2B | O2B | H65 | 21.1° | 180.0° |
| O9A | P3B | O3B | C3B | 38.1° | 55.0° |
| O9A | P3B | O3B | O8A | 122.3° | 120.0° |
| O9A | P3B | O3B | O7A | 123.3° | 120.0° |
| O9A | P3B | O8A | O7A | 123.7° | 120.0° |
| O9A | P3B | O7A | H66 | 0.0° | 180.0° |
| O9A | P3B | O8A | H67 | 0.0° | 60.0° |
| C03 | C02 | C01 | C04 | 134.3° | 120.0° |
| C03 | C02 | C01 | H14 | 111.2° | 120.0° |
| C03 | C02 | C04 | H14 | 114.3° | 119.9° |
| C03 | C02 | C04 | C05 | 171.8° | 174.9° |
| C03 | C02 | C01 | H11 | 180.0° | 180.0° |
| C03 | C02 | C01 | H12 | 60.0° | 60.0° |
| C03 | C02 | C01 | H13 | 60.0° | 60.1° |
| C02 | C03 | H15 | H16 | 120.0° | 120.0° |
| C02 | C03 | H15 | H17 | 120.0° | 119.9° |
| C02 | C03 | H16 | H17 | 120.0° | 120.0° |
| C03 | C02 | C04 | H18 | 67.0° | 54.9° |
| C03 | C02 | C04 | H70 | 50.6° | 65.0° |
| O4B | C4B | C3B | C5B | 122.4° | 118.8° |
| O4B | C4B | C3B | H54 | 112.9° | 118.9° |
| O4B | C4B | C3B | O3B | 77.8° | 94.7° |
| O4B | C4B | C5B | H54 | 120.9° | 122.2° |
| O4B | C4B | C5B | O5B | 90.4° | 67.9° |
| O4B | C4B | C5B | H52 | 29.2° | 172.1° |
| O4B | C4B | C5B | H53 | 150.1° | 52.0° |
| O4B | C4B | C3B | H55 | 163.3° | 142.7° |
| C4B | O4B | C1B | H57 | 96.2° | 78.5° |
| C4B | C3B | O3B | H55 | 118.1° | 122.6° |
| C3B | C4B | C5B | H54 | 124.4° | 122.3° |
| C4B | C3B | O3B | P3B | 178.6° | 120.0° |
| C3B | C4B | C5B | O5B | 24.4° | 176.6° |
| C3B | C4B | C5B | H52 | 143.9° | 56.6° |
| C3B | C4B | C5B | H53 | 95.2° | 63.4° |
| C4B | C3B | C2B | H56 | 69.6° | 118.6° |
| O3B | C3B | C4B | C5B | 44.5° | 24.1° |
| C3B | O3B | P3B | O8A | 160.4° | 175.0° |
| C3B | O3B | P3B | O7A | 85.2° | 65.0° |
| O3B | C3B | C4B | H54 | 169.3° | 146.4° |
| O3B | C3B | C2B | H56 | 159.4° | 122.7° |
| C4B | C5B | O5B | H52 | 119.6° | 120.0° |
| C4B | C5B | O5B | H53 | 119.6° | 120.0° |
| C4B | C5B | O5B | P1A | 98.9° | 180.0° |
| C4B | C5B | H52 | H53 | 121.3° | 120.0° |
| C5B | C4B | C3B | H55 | 74.3° | 98.4° |
| O3B | P3B | O8A | O7A | 114.7° | 120.0° |
| P3B | O3B | C3B | H55 | 63.3° | 2.6° |
| O3B | P3B | O7A | H66 | 118.4° | 60.0° |
| O3B | P3B | O8A | H67 | 121.6° | 180.0° |
| O8A | P3B | O7A | H66 | 119.7° | 60.0° |
| O7A | P3B | O8A | H67 | 123.7° | 60.0° |
| C01 | C02 | C04 | H14 | 114.6° | 120.0° |
| C01 | C02 | C04 | C05 | 40.7° | 65.0° |
| C02 | C01 | H11 | H12 | 120.0° | 120.0° |
| C02 | C01 | H11 | H13 | 120.0° | 120.0° |
| C02 | C01 | H12 | H13 | 120.0° | 120.0° |
| C01 | C02 | C03 | H15 | 180.0° | 60.0° |
| C01 | C02 | C03 | H16 | 60.0° | 180.0° |
| C01 | C02 | C03 | H17 | 60.0° | 60.0° |
| C01 | C02 | C04 | H18 | 161.8° | 175.0° |
| C01 | C02 | C04 | H70 | 80.5° | 55.0° |
| C02 | C04 | C05 | H18 | 121.2° | 120.0° |
| C02 | C04 | C05 | H70 | 121.2° | 120.0° |
| C02 | C04 | C05 | C06 | 175.4° | 179.9° |
| C04 | C02 | C01 | H11 | 45.7° | 60.0° |
| C04 | C02 | C01 | H12 | 74.3° | 60.0° |
| C04 | C02 | C01 | H13 | 165.7° | 179.9° |
| C04 | C02 | C03 | H15 | 45.5° | 60.1° |
| C04 | C02 | C03 | H16 | 165.6° | 60.0° |
| C04 | C02 | C03 | H17 | 74.5° | 180.0° |
| C02 | C04 | H18 | H70 | 116.2° | 119.9° |
| C02 | C04 | C05 | H19 | 54.6° | 60.0° |
| C02 | C04 | C05 | H71 | 63.7° | 60.0° |
| C04 | C05 | C06 | H19 | 120.8° | 119.9° |
| C04 | C05 | C06 | H71 | 120.9° | 120.0° |
| C04 | C05 | C06 | C07 | 138.4° | 180.0° |
| C05 | C04 | C02 | H14 | 73.9° | 55.0° |
| C05 | C04 | H18 | H70 | 116.2° | 120.1° |
| C04 | C05 | H19 | H71 | 117.4° | 120.0° |
| C04 | C05 | C06 | H20 | 100.2° | 60.1° |
| C04 | C05 | C06 | H21 | 17.1° | 60.0° |
| C5B | O5B | P1A | O2A | 80.9° | 55.1° |
| C5B | O5B | P1A | O1A | 46.2° | 65.0° |
| C5B | O5B | P1A | O3A | 162.0° | 175.0° |
| O5B | C5B | H52 | H53 | 121.3° | 120.0° |
| O5B | C5B | C4B | H54 | 148.7° | 54.3° |
| O5B | P1A | O2A | O1A | 119.3° | 120.0° |
| O5B | P1A | O2A | O3A | 128.9° | 120.0° |
| O5B | P1A | O1A | O3A | 126.5° | 120.0° |
| O5B | P1A | O3A | P2A | 157.7° | 160.0° |
| P1A | O5B | C5B | H52 | 141.5° | 60.0° |
| P1A | O5B | C5B | H53 | 20.7° | 60.0° |
| O5B | P1A | O1A | H64 | 125.1° | 60.0° |
| O2A | P1A | O1A | O3A | 108.5° | 120.0° |
| O2A | P1A | O3A | P2A | 77.9° | 40.0° |
| O2A | P1A | O1A | H64 | 0.0° | 179.9° |
| C05 | C06 | C07 | H20 | 121.3° | 119.9° |
| C05 | C06 | C07 | H21 | 121.3° | 120.1° |
| C05 | C06 | C07 | C09 | 178.5° | 175.0° |
| C05 | C06 | C07 | C08 | 64.1° | 64.9° |
| C06 | C05 | C04 | H18 | 63.4° | 60.1° |
| C06 | C05 | H19 | H71 | 117.4° | 120.1° |
| C05 | C06 | H20 | H21 | 115.6° | 120.1° |
| C05 | C06 | C07 | H22 | 55.7° | 55.1° |
| C06 | C05 | C04 | H70 | 54.2° | 60.0° |
| O1A | P1A | O3A | P2A | 43.2° | 80.0° |
| P1A | O3A | P2A | O4A | 47.2° | 40.0° |
| P1A | O3A | P2A | O6A | 69.0° | 160.0° |
| P1A | O3A | P2A | O5A | 170.0° | 80.0° |
| O3A | P1A | O1A | H64 | 108.5° | 60.1° |
| C06 | C07 | C09 | C08 | 122.9° | 120.1° |
| C06 | C07 | C09 | H22 | 122.7° | 119.9° |
| C06 | C07 | C08 | H22 | 119.4° | 120.0° |
| C06 | C07 | C09 | C10 | 162.5° | 174.9° |
| C07 | C06 | C05 | H19 | 17.6° | 60.1° |
| C07 | C06 | H20 | H21 | 115.7° | 120.0° |
| C06 | C07 | C08 | H23 | 180.0° | 180.0° |
| C06 | C07 | C08 | H24 | 60.0° | 59.9° |
| C06 | C07 | C08 | H25 | 60.0° | 60.0° |
| C06 | C07 | C09 | H26 | 41.9° | 55.0° |
| C06 | C07 | C09 | H27 | 76.9° | 65.0° |
| C07 | C06 | C05 | H71 | 100.7° | 60.0° |
| O3A | P2A | O4A | O6A | 114.8° | 120.0° |
| O3A | P2A | O4A | O5A | 125.2° | 120.0° |
| O3A | P2A | O6A | O5A | 125.3° | 120.0° |
| O3A | P2A | O6A | CCP | 48.6° | 175.0° |
| O3A | P2A | O5A | H63 | 118.7° | 60.0° |
| O4A | P2A | O6A | O5A | 122.1° | 120.0° |
| O4A | P2A | O6A | CCP | 161.3° | 55.0° |
| O4A | P2A | O5A | H63 | 0.0° | 180.0° |
| C09 | C07 | C08 | H22 | 114.1° | 120.0° |
| C07 | C09 | C10 | H26 | 120.5° | 120.0° |
| C07 | C09 | C10 | H27 | 120.6° | 120.0° |
| C07 | C09 | C10 | C11 | 163.6° | 179.9° |
| C07 | C09 | C10 | H1 | 43.1° | 60.0° |
| C07 | C09 | C10 | H2 | 75.9° | 60.0° |
| C09 | C07 | C06 | H20 | 60.2° | 65.0° |
| C09 | C07 | C06 | H21 | 57.2° | 55.0° |
| C09 | C07 | C08 | H23 | 53.5° | 59.9° |
| C09 | C07 | C08 | H24 | 173.5° | 180.0° |
| C09 | C07 | C08 | H25 | 66.5° | 60.0° |
| C07 | C09 | H26 | H27 | 118.3° | 120.0° |
| C08 | C07 | C09 | C10 | 39.6° | 65.0° |
| C08 | C07 | C06 | H20 | 57.3° | 55.0° |
| C08 | C07 | C06 | H21 | 174.6° | 175.0° |
| C07 | C08 | H23 | H24 | 120.0° | 120.1° |
| C07 | C08 | H23 | H25 | 120.0° | 120.0° |
| C07 | C08 | H24 | H25 | 120.0° | 120.0° |
| C08 | C07 | C09 | H26 | 81.0° | 175.0° |
| C08 | C07 | C09 | H27 | 160.1° | 55.0° |
| P2A | O6A | CCP | CBP | 131.4° | 180.0° |
| P2A | O6A | CCP | H50 | 11.6° | 60.0° |
| P2A | O6A | CCP | H51 | 108.8° | 60.0° |
| O6A | P2A | O5A | H63 | 120.7° | 60.0° |
| O5A | P2A | O6A | CCP | 76.7° | 65.0° |
| C09 | C10 | C11 | H1 | 120.5° | 120.0° |
| C09 | C10 | C11 | H2 | 120.5° | 119.9° |
| C09 | C10 | C11 | C12 | 163.8° | 180.0° |
| C09 | C10 | H1 | H2 | 118.5° | 120.0° |
| C10 | C09 | C07 | H22 | 74.8° | 55.0° |
| C10 | C09 | H26 | H27 | 118.3° | 120.0° |
| C09 | C10 | C11 | H28 | 42.8° | 59.9° |
| C09 | C10 | C11 | H29 | 75.1° | 60.0° |
| O6A | CCP | CBP | H50 | 119.8° | 120.0° |
| O6A | CCP | CBP | H51 | 119.8° | 120.0° |
| O6A | CCP | CBP | CAP | 88.9° | 180.0° |
| O6A | CCP | CBP | CDP | 148.8° | 60.0° |
| O6A | CCP | CBP | CEP | 23.5° | 60.0° |
| O6A | CCP | H50 | H51 | 120.6° | 120.0° |
| CCP | CBP | CAP | OAP | 74.0° | 65.4° |
| CCP | CBP | CAP | CDP | 111.9° | 120.0° |
| CCP | CBP | CAP | CEP | 118.8° | 120.1° |
| CCP | CBP | CAP | C9P | 137.6° | 54.6° |
| CCP | CBP | CDP | CEP | 125.7° | 120.0° |
| CCP | CBP | CAP | H43 | 30.0° | 174.6° |
| CCP | CBP | CEP | H44 | 180.0° | 176.9° |
| CCP | CBP | CEP | H45 | 60.0° | 56.8° |
| CCP | CBP | CEP | H46 | 60.0° | 63.2° |
| CCP | CBP | CDP | H47 | 180.0° | 53.0° |
| CCP | CBP | CDP | H48 | 60.0° | 67.0° |
| CCP | CBP | CDP | H49 | 60.0° | 173.0° |
| CBP | CCP | H50 | H51 | 120.6° | 120.0° |
| C10 | C11 | C12 | H28 | 121.1° | 120.1° |
| C10 | C11 | C12 | H29 | 121.1° | 119.9° |
| C10 | C11 | C12 | C13 | 11.2° | 65.1° |
| C10 | C11 | C12 | C14 | 137.4° | 175.0° |
| C11 | C10 | H1 | H2 | 118.5° | 120.0° |
| C11 | C10 | C09 | H26 | 75.9° | 60.0° |
| C11 | C10 | C09 | H27 | 43.0° | 59.9° |
| C10 | C11 | H28 | H29 | 116.6° | 119.9° |
| C10 | C11 | C12 | H30 | 105.0° | 55.0° |
| OAP | CAP | CBP | C9P | 148.5° | 120.0° |
| OAP | CAP | CBP | H43 | 104.0° | 120.0° |
| OAP | CAP | C9P | H43 | 107.0° | 120.0° |
| OAP | CAP | CBP | CDP | 174.1° | 174.6° |
| OAP | CAP | CBP | CEP | 44.8° | 54.7° |
| OAP | CAP | C9P | O9P | 154.2° | 13.9° |
| OAP | CAP | C9P | N8P | 25.5° | 166.1° |
| C11 | C12 | C13 | C14 | 126.5° | 119.9° |
| C11 | C12 | C13 | H30 | 116.1° | 120.1° |
| C11 | C12 | C14 | H30 | 117.7° | 120.1° |
| C11 | C12 | C14 | C15 | 146.7° | 175.0° |
| C12 | C11 | C10 | H1 | 75.7° | 60.0° |
| C12 | C11 | C10 | H2 | 43.3° | 60.1° |
| C11 | C12 | C13 | H3 | 180.0° | 60.0° |
| C11 | C12 | C13 | H4 | 60.0° | 180.0° |
| C11 | C12 | C13 | H5 | 60.0° | 60.0° |
| C12 | C11 | H28 | H29 | 116.6° | 120.0° |
| C11 | C12 | C14 | H31 | 92.3° | 55.1° |
| C11 | C12 | C14 | H72 | 25.6° | 64.9° |
| CBP | CAP | C9P | H43 | 107.5° | 120.1° |
| CAP | CBP | CDP | CEP | 125.6° | 119.9° |
| CBP | CAP | C9P | O9P | 60.3° | 106.1° |
| CBP | CAP | C9P | N8P | 120.0° | 73.9° |
| CAP | CBP | CEP | H44 | 72.1° | 63.1° |
| CAP | CBP | CEP | H45 | 47.9° | 176.8° |
| CAP | CBP | CEP | H46 | 167.9° | 56.9° |
| CAP | CBP | CDP | H47 | 71.4° | 67.1° |
| CAP | CBP | CDP | H48 | 168.7° | 173.0° |
| CAP | CBP | CDP | H49 | 48.6° | 53.0° |
| CAP | CBP | CCP | H50 | 151.4° | 60.0° |
| CAP | CBP | CCP | H51 | 31.0° | 60.0° |
| CBP | CAP | OAP | H68 | 180.0° | 60.0° |
| C9P | CAP | CBP | CDP | 25.7° | 65.4° |
| C9P | CAP | CBP | CEP | 103.6° | 174.7° |
| CAP | C9P | O9P | N8P | 179.7° | 180.0° |
| CAP | C9P | N8P | C7P | 1.2° | 175.1° |
| CAP | C9P | N8P | H60 | 178.8° | 4.9° |
| C9P | CAP | OAP | H68 | 30.0° | 60.0° |
| CDP | CBP | CAP | H43 | 81.9° | 54.6° |
| CDP | CBP | CEP | H44 | 59.7° | 56.8° |
| CDP | CBP | CEP | H45 | 179.7° | 63.2° |
| CDP | CBP | CEP | H46 | 60.3° | 176.8° |
| CBP | CDP | H47 | H48 | 120.0° | 119.9° |
| CBP | CDP | H47 | H49 | 120.0° | 120.1° |
| CBP | CDP | H48 | H49 | 120.0° | 120.1° |
| CDP | CBP | CCP | H50 | 29.0° | 60.0° |
| CDP | CBP | CCP | H51 | 91.4° | 180.0° |
| CEP | CBP | CAP | H43 | 148.8° | 65.3° |
| CBP | CEP | H44 | H45 | 120.0° | 120.1° |
| CBP | CEP | H44 | H46 | 120.0° | 120.0° |
| CBP | CEP | H45 | H46 | 120.0° | 119.9° |
| CEP | CBP | CDP | H47 | 54.3° | 173.0° |
| CEP | CBP | CDP | H48 | 65.7° | 53.1° |
| CEP | CBP | CDP | H49 | 174.3° | 67.0° |
| CEP | CBP | CCP | H50 | 96.3° | 180.0° |
| CEP | CBP | CCP | H51 | 143.3° | 60.0° |
| O9P | C9P | N8P | C7P | 179.1° | 4.9° |
| O9P | C9P | CAP | H43 | 47.2° | 133.9° |
| O9P | C9P | N8P | H60 | 0.9° | 175.1° |
| C9P | N8P | C7P | H60 | 180.0° | 180.0° |
| C9P | N8P | C7P | C6P | 154.3° | 180.0° |
| C9P | N8P | C7P | H41 | 86.4° | 60.0° |
| C9P | N8P | C7P | H42 | 34.9° | 60.0° |
| N8P | C9P | CAP | H43 | 132.4° | 46.1° |
| C13 | C12 | C14 | H30 | 117.6° | 120.0° |
| C13 | C12 | C14 | C15 | 88.6° | 65.0° |
| C12 | C13 | H3 | H4 | 120.0° | 120.0° |
| C12 | C13 | H3 | H5 | 120.0° | 120.0° |
| C12 | C13 | H4 | H5 | 120.0° | 120.0° |
| C13 | C12 | C11 | H28 | 109.9° | 55.0° |
| C13 | C12 | C11 | H29 | 132.3° | 175.0° |
| C13 | C12 | C14 | H31 | 32.4° | 175.0° |
| C13 | C12 | C14 | H72 | 150.3° | 55.0° |
| C12 | C14 | C15 | H31 | 121.0° | 120.0° |
| C12 | C14 | C15 | H72 | 121.0° | 120.0° |
| C12 | C14 | C15 | C16 | 176.2° | 180.0° |
| C14 | C12 | C13 | H3 | 53.5° | 60.0° |
| C14 | C12 | C13 | H4 | 173.5° | 60.0° |
| C14 | C12 | C13 | H5 | 66.5° | 180.0° |
| C12 | C14 | C15 | H6 | 55.4° | 60.0° |
| C14 | C12 | C11 | H28 | 16.4° | 65.0° |
| C14 | C12 | C11 | H29 | 101.5° | 55.1° |
| C12 | C14 | H31 | H72 | 116.7° | 120.0° |
| C12 | C14 | C15 | H69 | 62.9° | 60.1° |
| N8P | C7P | C6P | H41 | 119.3° | 120.0° |
| N8P | C7P | C6P | H42 | 119.3° | 120.0° |
| N8P | C7P | C6P | C5P | 75.2° | 180.0° |
| N8P | C7P | C6P | H9 | 164.8° | 60.0° |
| N8P | C7P | C6P | H10 | 44.7° | 60.0° |
| N8P | C7P | H41 | H42 | 122.0° | 120.0° |
| C7P | C6P | C5P | O5P | 34.8° | 0.0° |
| C7P | C6P | C5P | H9 | 119.9° | 120.0° |
| C7P | C6P | C5P | H10 | 119.9° | 120.0° |
| C7P | C6P | C5P | N4P | 146.7° | 180.0° |
| C7P | C6P | H9 | H10 | 120.2° | 120.0° |
| C6P | C7P | H41 | H42 | 122.0° | 120.1° |
| C6P | C7P | N8P | H60 | 25.7° | 0.0° |
| C14 | C15 | C16 | H6 | 120.8° | 120.0° |
| C14 | C15 | C16 | H69 | 120.8° | 120.0° |
| C14 | C15 | C16 | C17 | 155.0° | 180.0° |
| C14 | C15 | H6 | H69 | 117.4° | 120.1° |
| C15 | C14 | C12 | H30 | 29.0° | 55.0° |
| C15 | C14 | H31 | H72 | 116.7° | 120.0° |
| C14 | C15 | C16 | H32 | 84.5° | 60.0° |
| C14 | C15 | C16 | H33 | 34.5° | 60.0° |
| O5P | C5P | C6P | N4P | 178.5° | 180.0° |
| O5P | C5P | N4P | C3P | 179.1° | 0.1° |
| O5P | C5P | C6P | H9 | 154.8° | 120.0° |
| O5P | C5P | C6P | H10 | 85.1° | 120.0° |
| O5P | C5P | N4P | H74 | 0.9° | 180.0° |
| C6P | C5P | N4P | C3P | 0.7° | 180.0° |
| C5P | C6P | H9 | H10 | 120.2° | 120.0° |
| C5P | C6P | C7P | H41 | 44.1° | 60.0° |
| C5P | C6P | C7P | H42 | 165.4° | 60.0° |
| C6P | C5P | N4P | H74 | 179.3° | 0.1° |
| C5P | N4P | C3P | H74 | 180.0° | 179.9° |
| C5P | N4P | C3P | C2P | 163.2° | 180.0° |
| C5P | N4P | C3P | H8 | 75.9° | 60.0° |
| N4P | C5P | C6P | H9 | 26.8° | 60.0° |
| N4P | C5P | C6P | H10 | 93.4° | 60.0° |
| C5P | N4P | C3P | H73 | 42.3° | 60.1° |
| C15 | C16 | C17 | H32 | 120.5° | 120.0° |
| C15 | C16 | C17 | H33 | 120.5° | 120.0° |
| C15 | C16 | C17 | C18 | 32.0° | 65.0° |
| C15 | C16 | C17 | C19 | 159.7° | 175.0° |
| C16 | C15 | H6 | H69 | 117.4° | 119.9° |
| C15 | C16 | C17 | H7 | 82.1° | 55.0° |
| C16 | C15 | C14 | H31 | 62.7° | 60.0° |
| C15 | C16 | H32 | H33 | 118.4° | 120.0° |
| C16 | C15 | C14 | H72 | 55.2° | 60.0° |
| C16 | C17 | C18 | C19 | 129.2° | 120.0° |
| C16 | C17 | C18 | H7 | 114.1° | 120.0° |
| C16 | C17 | C19 | H7 | 118.3° | 120.0° |
| C16 | C17 | C19 | C20 | 148.9° | 175.0° |
| C17 | C16 | C15 | H6 | 34.2° | 60.0° |
| C17 | C16 | H32 | H33 | 118.4° | 120.0° |
| C16 | C17 | C18 | H34 | 180.0° | 180.0° |
| C16 | C17 | C18 | H35 | 60.0° | 59.9° |
| C16 | C17 | C18 | H36 | 60.0° | 60.0° |
| C16 | C17 | C19 | H37 | 89.5° | 65.1° |
| C16 | C17 | C19 | H38 | 27.3° | 55.0° |
| C17 | C16 | C15 | H69 | 84.2° | 59.9° |
| N4P | C3P | C2P | S1P | 17.0° | 180.0° |
| N4P | C3P | C2P | H8 | 120.9° | 120.1° |
| N4P | C3P | C2P | H73 | 120.9° | 120.0° |
| N4P | C3P | H8 | H73 | 117.3° | 120.0° |
| N4P | C3P | C2P | H39 | 101.8° | 60.0° |
| N4P | C3P | C2P | H40 | 135.8° | 59.9° |
| C18 | C17 | C19 | H7 | 117.0° | 120.0° |
| C18 | C17 | C19 | C20 | 86.3° | 65.0° |
| C18 | C17 | C16 | H32 | 88.5° | 55.0° |
| C18 | C17 | C16 | H33 | 152.6° | 175.0° |
| C17 | C18 | H34 | H35 | 120.0° | 120.0° |
| C17 | C18 | H34 | H36 | 120.0° | 120.0° |
| C17 | C18 | H35 | H36 | 120.0° | 120.0° |
| C18 | C17 | C19 | H37 | 35.3° | 54.9° |
| C18 | C17 | C19 | H38 | 152.0° | 175.0° |
| C17 | C19 | C20 | S1P | 14.5° | 180.0° |
| C17 | C19 | C20 | H37 | 121.6° | 119.9° |
| C17 | C19 | C20 | H38 | 121.6° | 120.0° |
| C17 | C19 | C20 | O21 | 163.6° | 0.1° |
| C19 | C17 | C16 | H32 | 39.2° | 65.0° |
| C19 | C17 | C16 | H33 | 79.7° | 55.0° |
| C19 | C17 | C18 | H34 | 50.8° | 60.0° |
| C19 | C17 | C18 | H35 | 170.8° | 179.9° |
| C19 | C17 | C18 | H36 | 69.2° | 60.0° |
| C17 | C19 | H37 | H38 | 114.8° | 120.1° |
| C20 | S1P | C2P | C3P | 167.7° | 180.0° |
| S1P | C20 | C19 | O21 | 178.1° | 180.0° |
| S1P | C20 | C19 | H37 | 107.2° | 60.0° |
| S1P | C20 | C19 | H38 | 136.1° | 60.0° |
| C20 | S1P | C2P | H39 | 48.9° | 60.0° |
| C20 | S1P | C2P | H40 | 73.5° | 59.9° |
| S1P | C2P | C3P | H39 | 118.8° | 120.0° |
| S1P | C2P | C3P | H40 | 118.8° | 120.1° |
| C2P | S1P | C20 | C19 | 130.8° | 180.0° |
| C2P | S1P | C20 | O21 | 50.9° | 0.0° |
| S1P | C2P | C3P | H8 | 103.9° | 59.9° |
| S1P | C2P | H39 | H40 | 123.4° | 120.0° |
| S1P | C2P | C3P | H73 | 137.9° | 60.0° |
| C2P | C3P | H8 | H73 | 117.2° | 119.9° |
| C3P | C2P | H39 | H40 | 123.4° | 120.0° |
| C2P | C3P | N4P | H74 | 16.8° | 0.1° |
| C20 | C19 | C17 | H7 | 30.6° | 55.0° |
| C20 | C19 | H37 | H38 | 114.7° | 120.0° |
| O21 | C20 | C19 | H37 | 74.7° | 120.0° |
| O21 | C20 | C19 | H38 | 42.0° | 120.0° |
| H1 | C10 | C09 | H26 | 163.6° | 60.0° |
| H1 | C10 | C09 | H27 | 77.5° | 180.0° |
| H1 | C10 | C11 | H28 | 163.3° | 180.0° |
| H1 | C10 | C11 | H29 | 45.4° | 60.0° |
| H2 | C10 | C09 | H26 | 44.6° | 179.9° |
| H2 | C10 | C09 | H27 | 163.5° | 60.0° |
| H2 | C10 | C11 | H28 | 77.8° | 60.0° |
| H2 | C10 | C11 | H29 | 164.4° | 179.9° |
| H3 | C13 | H4 | H5 | 120.0° | 120.0° |
| H3 | C13 | C12 | H30 | 63.9° | 179.9° |
| H4 | C13 | C12 | H30 | 56.1° | 59.9° |
| H5 | C13 | C12 | H30 | 176.1° | 60.0° |
| H6 | C15 | C14 | H31 | 176.4° | 60.0° |
| H6 | C15 | C16 | H32 | 154.7° | 180.0° |
| H6 | C15 | C16 | H33 | 86.4° | 60.0° |
| H6 | C15 | C14 | H72 | 65.7° | 180.0° |
| H7 | C17 | C16 | H32 | 157.3° | 175.0° |
| H7 | C17 | C16 | H33 | 38.4° | 65.0° |
| H7 | C17 | C18 | H34 | 65.9° | 60.1° |
| H7 | C17 | C18 | H35 | 54.1° | 60.0° |
| H7 | C17 | C18 | H36 | 174.1° | 180.0° |
| H7 | C17 | C19 | H37 | 152.2° | 174.9° |
| H7 | C17 | C19 | H38 | 91.0° | 65.0° |
| H8 | C3P | C2P | H39 | 137.3° | 60.0° |
| H8 | C3P | C2P | H40 | 14.9° | 180.0° |
| H8 | C3P | N4P | H74 | 104.1° | 120.0° |
| H9 | C6P | C7P | H41 | 75.9° | 180.0° |
| H9 | C6P | C7P | H42 | 45.5° | 60.0° |
| H10 | C6P | C7P | H41 | 164.0° | 60.0° |
| H10 | C6P | C7P | H42 | 74.6° | 180.0° |
| H11 | C01 | H12 | H13 | 120.0° | 120.0° |
| H11 | C01 | C02 | H14 | 68.8° | 60.0° |
| H12 | C01 | C02 | H14 | 171.2° | 180.0° |
| H13 | C01 | C02 | H14 | 51.2° | 60.0° |
| H14 | C02 | C03 | H15 | 68.8° | 180.0° |
| H14 | C02 | C03 | H16 | 51.3° | 60.0° |
| H14 | C02 | C03 | H17 | 171.2° | 60.1° |
| H14 | C02 | C04 | H18 | 47.3° | 65.0° |
| H14 | C02 | C04 | H70 | 164.9° | 175.0° |
| H15 | C03 | H16 | H17 | 120.0° | 120.0° |
| H18 | C04 | C05 | H19 | 175.8° | 180.0° |
| H18 | C04 | C05 | H71 | 57.5° | 60.0° |
| H19 | C05 | C06 | H20 | 139.0° | 180.0° |
| H19 | C05 | C06 | H21 | 103.7° | 59.9° |
| H19 | C05 | C04 | H70 | 66.6° | 59.9° |
| H20 | C06 | C07 | H22 | 177.0° | 175.0° |
| H20 | C06 | C05 | H71 | 20.6° | 59.9° |
| H21 | C06 | C07 | H22 | 65.6° | 65.0° |
| H21 | C06 | C05 | H71 | 138.0° | 180.0° |
| H22 | C07 | C08 | H23 | 60.6° | 60.0° |
| H22 | C07 | C08 | H24 | 59.4° | 60.0° |
| H22 | C07 | C08 | H25 | 179.4° | 180.0° |
| H22 | C07 | C09 | H26 | 164.6° | 65.0° |
| H22 | C07 | C09 | H27 | 45.7° | 175.0° |
| H23 | C08 | H24 | H25 | 120.0° | 120.0° |
| H28 | C11 | C12 | H30 | 134.0° | 175.0° |
| H29 | C11 | C12 | H30 | 16.1° | 64.9° |
| H30 | C12 | C14 | H31 | 150.0° | 65.0° |
| H30 | C12 | C14 | H72 | 92.1° | 175.0° |
| H31 | C14 | C15 | H69 | 58.1° | 180.0° |
| H32 | C16 | C15 | H69 | 36.4° | 60.1° |
| H33 | C16 | C15 | H69 | 155.3° | 180.0° |
| H34 | C18 | H35 | H36 | 120.0° | 120.0° |
| H39 | C2P | C3P | H73 | 19.1° | 180.0° |
| H40 | C2P | C3P | H73 | 103.3° | 60.1° |
| H41 | C7P | N8P | H60 | 93.6° | 120.0° |
| H42 | C7P | N8P | H60 | 145.0° | 120.0° |
| H43 | CAP | OAP | H68 | 76.6° | 180.0° |
| H44 | CEP | H45 | H46 | 120.0° | 120.0° |
| H47 | CDP | H48 | H49 | 120.0° | 120.0° |
| H52 | C5B | C4B | H54 | 91.7° | 65.7° |
| H53 | C5B | C4B | H54 | 29.2° | 174.3° |
| H54 | C4B | C3B | H55 | 50.4° | 23.8° |
| H55 | C3B | C2B | H56 | 38.9° | 0.0° |
| H56 | C2B | C1B | H57 | 29.6° | 23.8° |
| H56 | C2B | O2B | H65 | 133.3° | 57.4° |
| H69 | C15 | C14 | H72 | 176.0° | 60.0° |
| H70 | C04 | C05 | H71 | 175.1° | 180.0° |
| H73 | C3P | N4P | H74 | 137.7° | 120.0° |
