A1CAN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6A | C6A | sing | 1.38Å | 1.48Å | |
| C6A | N1A | doub | 1.33Å | 1.31Å | Aromatic |
| C6A | C5A | sing | 1.41Å | 1.41Å | Aromatic |
| N1A | C2A | sing | 1.32Å | 1.32Å | Aromatic |
| N7A | C5A | sing | 1.35Å | 1.34Å | Aromatic |
| N7A | C8A | doub | 1.30Å | 1.33Å | Aromatic |
| C5A | C4A | doub | 1.40Å | 1.38Å | Aromatic |
| C2A | N3A | doub | 1.32Å | 1.31Å | Aromatic |
| C8A | N9A | sing | 1.36Å | 1.32Å | Aromatic |
| C4A | N3A | sing | 1.33Å | 1.33Å | Aromatic |
| C4A | N9A | sing | 1.37Å | 1.36Å | Aromatic |
| N9A | C1B | sing | 1.47Å | 1.45Å | |
| C03 | C02 | sing | 1.53Å | 1.56Å | |
| C1B | O4B | sing | 1.45Å | 1.69Å | |
| C1B | C2B | sing | 1.55Å | 1.30Å | |
| O4B | C4B | sing | 1.44Å | 1.29Å | |
| C2B | O2B | sing | 1.43Å | 1.50Å | |
| C2B | C3B | sing | 1.55Å | 1.56Å | |
| C01 | C02 | sing | 1.53Å | 1.48Å | |
| C02 | C04 | sing | 1.53Å | 1.57Å | |
| C04 | C05 | sing | 1.53Å | 1.59Å | |
| O7A | P3B | doub | 1.48Å | 1.51Å | |
| C3B | C4B | sing | 1.54Å | 1.56Å | |
| C3B | O3B | sing | 1.43Å | 1.34Å | |
| C4B | C5B | sing | 1.53Å | 1.55Å | |
| C05 | C06 | sing | 1.53Å | 1.58Å | |
| C5B | O5B | sing | 1.43Å | 1.43Å | |
| O3B | P3B | sing | 1.61Å | 1.67Å | |
| P3B | O8A | sing | 1.61Å | 1.50Å | |
| P3B | O9A | sing | 1.61Å | 1.51Å | |
| O5B | P1A | sing | 1.61Å | 1.68Å | |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| O1A | P1A | doub | 1.48Å | 1.51Å | |
| P1A | O2A | sing | 1.61Å | 1.51Å | |
| P1A | O3A | sing | 1.61Å | 1.65Å | |
| C07 | C09 | sing | 1.53Å | 1.51Å | |
| C07 | C08 | sing | 1.53Å | 1.54Å | |
| C09 | C10 | sing | 1.53Å | 1.55Å | |
| C10 | C11 | sing | 1.53Å | 1.58Å | |
| O3A | P2A | sing | 1.61Å | 1.65Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.56Å | |
| C12 | C14 | sing | 1.53Å | 1.51Å | |
| P2A | O5A | doub | 1.48Å | 1.51Å | |
| P2A | O4A | sing | 1.61Å | 1.51Å | |
| P2A | O6A | sing | 1.61Å | 1.65Å | |
| CCP | O6A | sing | 1.43Å | 1.43Å | |
| CCP | CBP | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.56Å | |
| CEP | CBP | sing | 1.53Å | 1.51Å | |
| O9P | C9P | doub | 1.21Å | 1.19Å | |
| CBP | CDP | sing | 1.53Å | 1.51Å | |
| CBP | CAP | sing | 1.53Å | 1.56Å | |
| C9P | CAP | sing | 1.51Å | 1.55Å | |
| C9P | N8P | sing | 1.35Å | 1.48Å | |
| CAP | OAP | sing | 1.43Å | 1.44Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C7P | N8P | sing | 1.47Å | 1.49Å | |
| C7P | C6P | sing | 1.53Å | 1.58Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| O21 | C20 | doub | 1.21Å | 1.20Å | |
| S1P | C20 | sing | 1.71Å | 1.87Å | |
| S1P | C2P | sing | 1.81Å | 1.85Å | |
| C20 | C19 | sing | 1.51Å | 1.56Å | |
| C6P | C5P | sing | 1.51Å | 1.57Å | |
| N4P | C5P | sing | 1.35Å | 1.48Å | |
| N4P | C3P | sing | 1.46Å | 1.48Å | |
| C5P | O5P | doub | 1.21Å | 1.17Å | |
| C2P | C3P | sing | 1.53Å | 1.53Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H69 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C3P | H73 | 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 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C02 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H17 | sing | 1.09Å | 1.10Å | |
| C03 | H16 | sing | 1.09Å | 1.10Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H18 | sing | 1.09Å | 1.10Å | |
| C04 | H70 | sing | 1.09Å | 1.10Å | |
| C05 | H71 | 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 | H25 | sing | 1.09Å | 1.10Å | |
| C08 | H24 | 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 | |
| C14 | H72 | sing | 1.09Å | 1.10Å | |
| C16 | H32 | sing | 1.09Å | 1.10Å | |
| C16 | H33 | sing | 1.09Å | 1.10Å | |
| C18 | H35 | sing | 1.09Å | 1.10Å | |
| C18 | H34 | 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 | H46 | sing | 1.09Å | 1.10Å | |
| CEP | H45 | sing | 1.09Å | 1.10Å | |
| CDP | H49 | sing | 1.09Å | 1.10Å | |
| CDP | H48 | sing | 1.09Å | 1.10Å | |
| CDP | H47 | 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 | |
| N4P | H74 | sing | 0.97Å | 1.00Å | |
| N8P | H60 | sing | 0.97Å | 1.00Å | |
| N6A | H61 | sing | 0.97Å | 1.00Å | |
| N6A | H62 | sing | 0.97Å | 1.00Å | |
| O4A | H63 | sing | 0.97Å | 0.95Å | |
| O2A | H64 | sing | 0.97Å | 0.95Å | |
| O2B | H65 | sing | 0.97Å | 0.95Å | |
| O8A | H66 | sing | 0.97Å | 0.95Å | |
| O9A | H67 | sing | 0.97Å | 0.95Å | |
| OAP | H68 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6A | C6A | N1A | 118.9° | 120.8° |
| N6A | C6A | C5A | 121.1° | 120.7° |
| C6A | N6A | H61 | 109.5° | 119.9° |
| C6A | N6A | H62 | 109.5° | 120.0° |
| N1A | C6A | C5A | 120.0° | 118.5° |
| C6A | N1A | C2A | 119.7° | 121.2° |
| C6A | C5A | N7A | 135.3° | 134.7° |
| C6A | C5A | C4A | 118.1° | 118.1° |
| N1A | C2A | N3A | 122.3° | 122.5° |
| N1A | C2A | H59 | 118.8° | 118.7° |
| C5A | N7A | C8A | 107.9° | 109.5° |
| N7A | C5A | C4A | 106.7° | 107.1° |
| N7A | C8A | N9A | 111.2° | 109.9° |
| N7A | C8A | H58 | 124.4° | 125.0° |
| C5A | C4A | N3A | 118.2° | 119.1° |
| C5A | C4A | N9A | 108.0° | 106.0° |
| C2A | N3A | C4A | 121.7° | 120.6° |
| N3A | C2A | H59 | 118.9° | 118.8° |
| C8A | N9A | C4A | 106.3° | 107.4° |
| C8A | N9A | C1B | 122.5° | 126.3° |
| N9A | C8A | H58 | 124.4° | 125.0° |
| N3A | C4A | N9A | 133.9° | 134.9° |
| C4A | N9A | C1B | 131.2° | 126.3° |
| N9A | C1B | O4B | 111.0° | 110.4° |
| N9A | C1B | C2B | 116.7° | 110.5° |
| N9A | C1B | H57 | 108.3° | 110.4° |
| C03 | C02 | C01 | 109.5° | 109.5° |
| C03 | C02 | C04 | 109.9° | 109.5° |
| C03 | C02 | H14 | 107.7° | 109.5° |
| C02 | C03 | H17 | 109.5° | 109.5° |
| C02 | C03 | H16 | 109.4° | 109.5° |
| C02 | C03 | H15 | 109.5° | 109.5° |
| O4B | C1B | C2B | 104.1° | 104.9° |
| C1B | O4B | C4B | 102.7° | 105.2° |
| O4B | C1B | H57 | 105.6° | 110.4° |
| C1B | C2B | O2B | 109.7° | 110.5° |
| C1B | C2B | C3B | 105.7° | 104.0° |
| C1B | C2B | H56 | 114.0° | 110.6° |
| C2B | C1B | H57 | 110.5° | 110.2° |
| O4B | C4B | C3B | 99.1° | 104.9° |
| O4B | C4B | C5B | 114.1° | 110.3° |
| O4B | C4B | H54 | 113.1° | 110.3° |
| O2B | C2B | C3B | 106.7° | 110.6° |
| O2B | C2B | H56 | 110.6° | 110.5° |
| C2B | O2B | H65 | 109.5° | 114.1° |
| C2B | C3B | C4B | 97.4° | 104.1° |
| C2B | C3B | O3B | 112.0° | 110.5° |
| C2B | C3B | H55 | 109.9° | 110.6° |
| C3B | C2B | H56 | 109.7° | 110.5° |
| C01 | C02 | C04 | 113.3° | 109.5° |
| C02 | C01 | H12 | 109.5° | 109.5° |
| C02 | C01 | H13 | 109.5° | 109.5° |
| C02 | C01 | H11 | 109.5° | 109.5° |
| C01 | C02 | H14 | 108.7° | 109.5° |
| C02 | C04 | C05 | 114.9° | 109.5° |
| C04 | C02 | H14 | 107.6° | 109.5° |
| C02 | C04 | H18 | 108.1° | 109.4° |
| C02 | C04 | H70 | 108.1° | 109.5° |
| C04 | C05 | C06 | 113.6° | 109.5° |
| C05 | C04 | H18 | 108.1° | 109.4° |
| C05 | C04 | H70 | 108.1° | 109.5° |
| C04 | C05 | H71 | 108.4° | 109.4° |
| C04 | C05 | H19 | 108.4° | 109.5° |
| O7A | P3B | O3B | 110.1° | 109.4° |
| O7A | P3B | O8A | 111.3° | 109.5° |
| O7A | P3B | O9A | 108.4° | 109.5° |
| C4B | C3B | O3B | 113.2° | 110.5° |
| C3B | C4B | C5B | 112.3° | 110.3° |
| C3B | C4B | H54 | 108.8° | 110.4° |
| C4B | C3B | H55 | 109.9° | 110.5° |
| C3B | O3B | P3B | 119.6° | 123.0° |
| O3B | C3B | H55 | 113.3° | 110.5° |
| C4B | C5B | O5B | 109.5° | 109.4° |
| C4B | C5B | H52 | 109.5° | 109.5° |
| C4B | C5B | H53 | 109.5° | 109.5° |
| C5B | C4B | H54 | 109.1° | 110.4° |
| C05 | C06 | C07 | 110.9° | 109.5° |
| C06 | C05 | H71 | 108.5° | 109.4° |
| C06 | C05 | H19 | 108.4° | 109.5° |
| C05 | C06 | H20 | 109.1° | 109.4° |
| C05 | C06 | H21 | 109.1° | 109.5° |
| C5B | O5B | P1A | 118.9° | 123.0° |
| O5B | C5B | H52 | 109.4° | 109.4° |
| O5B | C5B | H53 | 109.5° | 109.5° |
| O3B | P3B | O8A | 108.6° | 109.4° |
| O3B | P3B | O9A | 110.3° | 109.5° |
| O8A | P3B | O9A | 108.2° | 109.5° |
| P3B | O8A | H66 | 109.5° | 114.0° |
| P3B | O9A | H67 | 109.5° | 114.0° |
| O5B | P1A | O1A | 109.9° | 109.5° |
| O5B | P1A | O2A | 109.9° | 109.5° |
| O5B | P1A | O3A | 108.8° | 109.5° |
| C06 | C07 | C09 | 109.2° | 109.5° |
| C06 | C07 | C08 | 110.7° | 109.5° |
| C07 | C06 | H20 | 109.1° | 109.5° |
| C07 | C06 | H21 | 109.1° | 109.5° |
| C06 | C07 | H22 | 108.6° | 109.5° |
| O1A | P1A | O2A | 109.4° | 109.5° |
| O1A | P1A | O3A | 108.5° | 109.5° |
| O2A | P1A | O3A | 110.4° | 109.4° |
| P1A | O2A | H64 | 109.5° | 114.0° |
| P1A | O3A | P2A | 123.5° | 134.0° |
| C09 | C07 | C08 | 110.8° | 109.4° |
| C07 | C09 | C10 | 111.7° | 109.5° |
| C09 | C07 | H22 | 109.0° | 109.5° |
| C07 | C09 | H26 | 108.9° | 109.4° |
| C07 | C09 | H27 | 108.9° | 109.5° |
| C08 | C07 | H22 | 108.6° | 109.5° |
| C07 | C08 | H23 | 109.5° | 109.5° |
| C07 | C08 | H25 | 109.5° | 109.5° |
| C07 | C08 | H24 | 109.5° | 109.5° |
| C09 | C10 | C11 | 112.1° | 109.5° |
| C09 | C10 | H2 | 108.8° | 109.5° |
| C09 | C10 | H1 | 108.8° | 109.5° |
| C10 | C09 | H26 | 108.9° | 109.5° |
| C10 | C09 | H27 | 108.9° | 109.5° |
| C10 | C11 | C12 | 112.8° | 109.5° |
| C11 | C10 | H2 | 108.8° | 109.4° |
| C11 | C10 | H1 | 108.8° | 109.5° |
| C10 | C11 | H28 | 108.6° | 109.4° |
| C10 | C11 | H29 | 108.6° | 109.5° |
| O3A | P2A | O5A | 107.1° | 109.5° |
| O3A | P2A | O4A | 108.8° | 109.4° |
| O3A | P2A | O6A | 110.3° | 109.5° |
| C13 | C12 | C11 | 108.3° | 109.5° |
| C13 | C12 | C14 | 110.1° | 109.4° |
| C12 | C13 | H5 | 109.5° | 109.5° |
| C12 | C13 | H4 | 109.5° | 109.4° |
| C12 | C13 | H3 | 109.5° | 109.5° |
| C13 | C12 | H30 | 109.9° | 109.5° |
| C11 | C12 | C14 | 109.0° | 109.5° |
| C12 | C11 | H28 | 108.7° | 109.5° |
| C12 | C11 | H29 | 108.7° | 109.5° |
| C11 | C12 | H30 | 109.5° | 109.5° |
| C12 | C14 | C15 | 113.0° | 109.4° |
| C14 | C12 | H30 | 110.0° | 109.5° |
| C12 | C14 | H31 | 108.6° | 109.5° |
| C12 | C14 | H72 | 108.6° | 109.5° |
| O5A | P2A | O4A | 109.8° | 109.5° |
| O5A | P2A | O6A | 109.8° | 109.5° |
| O4A | P2A | O6A | 110.9° | 109.5° |
| P2A | O4A | H63 | 109.5° | 114.0° |
| P2A | O6A | CCP | 119.4° | 123.0° |
| O6A | CCP | CBP | 109.8° | 109.5° |
| O6A | CCP | H50 | 109.4° | 109.5° |
| O6A | CCP | H51 | 109.4° | 109.5° |
| CCP | CBP | CEP | 108.9° | 109.5° |
| CCP | CBP | CDP | 110.3° | 109.5° |
| CCP | CBP | CAP | 109.5° | 109.5° |
| CBP | CCP | H50 | 109.4° | 109.5° |
| CBP | CCP | H51 | 109.4° | 109.5° |
| C14 | C15 | C16 | 112.4° | 109.4° |
| C14 | C15 | H6 | 108.7° | 109.4° |
| C14 | C15 | H69 | 108.7° | 109.5° |
| C15 | C14 | H31 | 108.6° | 109.5° |
| C15 | C14 | H72 | 108.6° | 109.5° |
| C15 | C16 | C17 | 113.7° | 109.5° |
| C16 | C15 | H6 | 108.7° | 109.5° |
| C16 | C15 | H69 | 108.7° | 109.5° |
| C15 | C16 | H32 | 108.4° | 109.5° |
| C15 | C16 | H33 | 108.4° | 109.5° |
| CEP | CBP | CDP | 108.5° | 109.4° |
| CEP | CBP | CAP | 109.7° | 109.5° |
| CBP | CEP | H44 | 109.5° | 109.5° |
| CBP | CEP | H46 | 109.5° | 109.4° |
| CBP | CEP | H45 | 109.5° | 109.5° |
| O9P | C9P | CAP | 120.0° | 120.0° |
| O9P | C9P | N8P | 120.1° | 120.0° |
| CDP | CBP | CAP | 109.9° | 109.5° |
| CBP | CDP | H49 | 109.5° | 109.5° |
| CBP | CDP | H48 | 109.5° | 109.4° |
| CBP | CDP | H47 | 109.5° | 109.5° |
| CBP | CAP | C9P | 113.6° | 109.5° |
| CBP | CAP | OAP | 108.3° | 109.5° |
| CBP | CAP | H43 | 108.5° | 109.5° |
| CAP | C9P | N8P | 119.9° | 120.0° |
| C9P | CAP | OAP | 107.6° | 109.4° |
| C9P | CAP | H43 | 108.7° | 109.5° |
| C9P | N8P | C7P | 119.9° | 120.0° |
| C9P | N8P | H60 | 120.0° | 120.0° |
| OAP | CAP | H43 | 110.2° | 109.5° |
| CAP | OAP | H68 | 109.5° | 114.0° |
| C16 | C17 | C18 | 110.3° | 109.5° |
| C16 | C17 | C19 | 109.2° | 109.5° |
| C16 | C17 | H7 | 109.3° | 109.5° |
| C17 | C16 | H32 | 108.4° | 109.5° |
| C17 | C16 | H33 | 108.4° | 109.4° |
| N8P | C7P | C6P | 110.2° | 109.4° |
| N8P | C7P | H41 | 109.3° | 109.5° |
| N8P | C7P | H42 | 109.3° | 109.5° |
| C7P | N8P | H60 | 120.0° | 120.0° |
| C7P | C6P | C5P | 111.2° | 109.4° |
| C7P | C6P | H9 | 109.0° | 109.5° |
| C7P | C6P | H10 | 109.0° | 109.4° |
| C6P | C7P | H41 | 109.3° | 109.5° |
| C6P | C7P | H42 | 109.3° | 109.4° |
| C18 | C17 | C19 | 109.1° | 109.4° |
| C18 | C17 | H7 | 109.4° | 109.5° |
| C17 | C18 | H35 | 109.5° | 109.4° |
| C17 | C18 | H34 | 109.4° | 109.5° |
| C17 | C18 | H36 | 109.5° | 109.5° |
| C17 | C19 | C20 | 111.3° | 109.5° |
| C19 | C17 | H7 | 109.4° | 109.5° |
| C17 | C19 | H37 | 109.0° | 109.4° |
| C17 | C19 | H38 | 109.0° | 109.5° |
| O21 | C20 | S1P | 120.9° | 120.0° |
| O21 | C20 | C19 | 120.7° | 120.0° |
| C20 | S1P | C2P | 110.2° | 100.0° |
| S1P | C20 | C19 | 118.4° | 120.0° |
| S1P | C2P | C3P | 107.5° | 109.5° |
| S1P | C2P | H39 | 110.0° | 109.5° |
| S1P | C2P | H40 | 110.0° | 109.5° |
| C20 | C19 | H37 | 109.0° | 109.5° |
| C20 | C19 | H38 | 109.0° | 109.5° |
| C6P | C5P | N4P | 120.0° | 120.0° |
| C6P | C5P | O5P | 119.5° | 120.0° |
| C5P | C6P | H9 | 109.0° | 109.5° |
| C5P | C6P | H10 | 109.1° | 109.5° |
| C5P | N4P | C3P | 120.0° | 120.0° |
| N4P | C5P | O5P | 120.5° | 120.0° |
| C5P | N4P | H74 | 120.0° | 120.0° |
| N4P | C3P | C2P | 107.5° | 109.5° |
| N4P | C3P | H73 | 109.9° | 109.5° |
| N4P | C3P | H8 | 110.0° | 109.5° |
| C3P | N4P | H74 | 120.0° | 120.0° |
| C2P | C3P | H73 | 110.0° | 109.5° |
| C2P | C3P | H8 | 109.9° | 109.4° |
| C3P | C2P | H39 | 110.0° | 109.5° |
| C3P | C2P | H40 | 110.0° | 109.4° |
| H2 | C10 | H1 | 109.5° | 109.4° |
| H5 | C13 | H4 | 109.5° | 109.5° |
| H5 | C13 | H3 | 109.4° | 109.5° |
| H4 | C13 | H3 | 109.5° | 109.4° |
| H6 | C15 | H69 | 109.5° | 109.5° |
| H73 | C3P | H8 | 109.5° | 109.4° |
| H9 | C6P | H10 | 109.5° | 109.5° |
| H12 | C01 | H13 | 109.5° | 109.5° |
| H12 | C01 | H11 | 109.4° | 109.5° |
| H13 | C01 | H11 | 109.5° | 109.4° |
| H17 | C03 | H16 | 109.5° | 109.5° |
| H17 | C03 | H15 | 109.4° | 109.4° |
| H16 | C03 | H15 | 109.5° | 109.5° |
| H18 | C04 | H70 | 109.5° | 109.5° |
| H71 | C05 | H19 | 109.5° | 109.5° |
| H20 | C06 | H21 | 109.5° | 109.5° |
| H23 | C08 | H25 | 109.5° | 109.4° |
| H23 | C08 | H24 | 109.4° | 109.5° |
| H25 | C08 | H24 | 109.5° | 109.4° |
| H26 | C09 | H27 | 109.5° | 109.5° |
| H28 | C11 | H29 | 109.5° | 109.4° |
| H31 | C14 | H72 | 109.4° | 109.5° |
| H32 | C16 | H33 | 109.5° | 109.5° |
| H35 | C18 | H34 | 109.5° | 109.4° |
| H35 | C18 | H36 | 109.5° | 109.5° |
| H34 | C18 | H36 | 109.5° | 109.5° |
| H37 | C19 | H38 | 109.5° | 109.5° |
| H39 | C2P | H40 | 109.5° | 109.4° |
| H41 | C7P | H42 | 109.5° | 109.5° |
| H44 | CEP | H46 | 109.4° | 109.5° |
| H44 | CEP | H45 | 109.5° | 109.5° |
| H46 | CEP | H45 | 109.5° | 109.5° |
| H49 | CDP | H48 | 109.5° | 109.5° |
| H49 | CDP | H47 | 109.5° | 109.5° |
| H48 | CDP | H47 | 109.4° | 109.5° |
| H50 | CCP | H51 | 109.5° | 109.4° |
| H52 | C5B | H53 | 109.5° | 109.5° |
| H61 | N6A | H62 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6A | C6A | N1A | C5A | 179.9° | 180.0° |
| N6A | C6A | N1A | C2A | 179.9° | 180.0° |
| N6A | C6A | C5A | N7A | 0.2° | 0.5° |
| N6A | C6A | C5A | C4A | 179.9° | 180.0° |
| C6A | N6A | H61 | H62 | 120.0° | 180.0° |
| N1A | C6A | C5A | N7A | 180.0° | 179.5° |
| N1A | C6A | C5A | C4A | 0.0° | 0.0° |
| C6A | N1A | C2A | N3A | 0.2° | 0.1° |
| C6A | N1A | C2A | H59 | 179.8° | 180.0° |
| N1A | C6A | N6A | H61 | 0.0° | 0.0° |
| N1A | C6A | N6A | H62 | 120.0° | 180.0° |
| C5A | C6A | N1A | C2A | 0.1° | 0.0° |
| C6A | C5A | N7A | C4A | 180.0° | 179.6° |
| C6A | C5A | N7A | C8A | 179.8° | 179.8° |
| C6A | C5A | C4A | N3A | 0.1° | 0.0° |
| C6A | C5A | C4A | N9A | 179.6° | 180.0° |
| C5A | C6A | N6A | H61 | 179.9° | 180.0° |
| C5A | C6A | N6A | H62 | 59.8° | 0.0° |
| N1A | C2A | N3A | H59 | 180.0° | 179.9° |
| N1A | C2A | N3A | C4A | 0.2° | 0.1° |
| C5A | N7A | C8A | N9A | 0.1° | 0.0° |
| N7A | C5A | C4A | N3A | 180.0° | 179.7° |
| N7A | C5A | C4A | N9A | 0.4° | 0.4° |
| C5A | N7A | C8A | H58 | 179.9° | 179.7° |
| C8A | N7A | C5A | C4A | 0.2° | 0.2° |
| N7A | C8A | N9A | H58 | 180.0° | 179.7° |
| N7A | C8A | N9A | C4A | 0.3° | 0.2° |
| N7A | C8A | N9A | C1B | 179.5° | 179.8° |
| C5A | C4A | N3A | C2A | 0.2° | 0.0° |
| C5A | C4A | N9A | C8A | 0.4° | 0.4° |
| C5A | C4A | N3A | N9A | 179.6° | 180.0° |
| C5A | C4A | N9A | C1B | 179.5° | 179.7° |
| C2A | N3A | C4A | N9A | 179.4° | 180.0° |
| C8A | N9A | C4A | N3A | 180.0° | 179.7° |
| C8A | N9A | C4A | C1B | 179.1° | 180.0° |
| C8A | N9A | C1B | O4B | 41.8° | 23.6° |
| C8A | N9A | C1B | C2B | 160.9° | 92.0° |
| C8A | N9A | C1B | H57 | 73.6° | 145.9° |
| N3A | C4A | N9A | C1B | 0.9° | 0.3° |
| C4A | N3A | C2A | H59 | 179.8° | 180.0° |
| C4A | N9A | C1B | O4B | 139.2° | 156.5° |
| C4A | N9A | C1B | C2B | 20.2° | 88.0° |
| C4A | N9A | C1B | H57 | 105.3° | 34.1° |
| C4A | N9A | C8A | H58 | 179.7° | 180.0° |
| N9A | C1B | O4B | C2B | 126.4° | 119.0° |
| N9A | C1B | O4B | H57 | 117.2° | 122.4° |
| N9A | C1B | C2B | H57 | 124.4° | 122.3° |
| N9A | C1B | O4B | C4B | 149.2° | 159.3° |
| N9A | C1B | C2B | O2B | 136.5° | 98.5° |
| N9A | C1B | C2B | C3B | 108.8° | 142.8° |
| N9A | C1B | C2B | H56 | 11.8° | 24.1° |
| C1B | N9A | C8A | H58 | 0.5° | 0.1° |
| C03 | C02 | C01 | C04 | 123.1° | 120.0° |
| C03 | C02 | C01 | H14 | 117.4° | 120.0° |
| C03 | C02 | C04 | H14 | 117.0° | 120.0° |
| C03 | C02 | C04 | C05 | 158.4° | 65.0° |
| C03 | C02 | C01 | H12 | 180.0° | 60.0° |
| C03 | C02 | C01 | H13 | 60.0° | 60.0° |
| C03 | C02 | C01 | H11 | 60.0° | 180.0° |
| C02 | C03 | H17 | H16 | 120.0° | 120.0° |
| C02 | C03 | H17 | H15 | 120.0° | 120.0° |
| C02 | C03 | H16 | H15 | 120.0° | 120.0° |
| C03 | C02 | C04 | H18 | 80.8° | 55.0° |
| C03 | C02 | C04 | H70 | 37.6° | 175.0° |
| O4B | C1B | C2B | H57 | 113.0° | 118.8° |
| O4B | C1B | C2B | O2B | 100.8° | 142.6° |
| O4B | C1B | C2B | C3B | 13.9° | 23.9° |
| C1B | O4B | C4B | C3B | 46.6° | 40.4° |
| C1B | O4B | C4B | C5B | 166.1° | 159.2° |
| C1B | O4B | C4B | H54 | 68.5° | 78.5° |
| O4B | C1B | C2B | H56 | 134.5° | 94.8° |
| C2B | C1B | O4B | C4B | 22.8° | 40.4° |
| C1B | C2B | O2B | C3B | 114.1° | 114.6° |
| C1B | C2B | O2B | H56 | 126.6° | 122.8° |
| C1B | C2B | C3B | H56 | 123.3° | 118.8° |
| C1B | C2B | C3B | C4B | 40.2° | 0.0° |
| C1B | C2B | C3B | O3B | 159.0° | 118.6° |
| C1B | C2B | C3B | H55 | 74.1° | 118.7° |
| C1B | C2B | O2B | H65 | 180.0° | 65.4° |
| O4B | C4B | C3B | C2B | 55.2° | 24.0° |
| O4B | C4B | C3B | C5B | 120.9° | 118.8° |
| O4B | C4B | C3B | H54 | 118.3° | 118.9° |
| O4B | C4B | C3B | O3B | 173.1° | 142.6° |
| O4B | C4B | C5B | H54 | 127.5° | 122.2° |
| O4B | C4B | C5B | O5B | 156.5° | 68.0° |
| O4B | C4B | C5B | H52 | 36.6° | 172.1° |
| O4B | C4B | C5B | H53 | 83.5° | 52.1° |
| O4B | C4B | C3B | H55 | 59.0° | 94.8° |
| C4B | O4B | C1B | H57 | 93.6° | 78.3° |
| O2B | C2B | C3B | H56 | 119.9° | 122.6° |
| O2B | C2B | C3B | C4B | 76.5° | 118.6° |
| O2B | C2B | C3B | O3B | 42.2° | 0.0° |
| O2B | C2B | C3B | H55 | 169.2° | 122.7° |
| O2B | C2B | C1B | H57 | 12.1° | 23.7° |
| C2B | C3B | C4B | O3B | 117.9° | 118.6° |
| C2B | C3B | C4B | H55 | 114.3° | 118.8° |
| C2B | C3B | O3B | H55 | 125.0° | 122.8° |
| C2B | C3B | C4B | C5B | 176.1° | 142.8° |
| C2B | C3B | O3B | P3B | 56.0° | 125.4° |
| C2B | C3B | C4B | H54 | 63.1° | 94.9° |
| C3B | C2B | C1B | H57 | 126.8° | 94.9° |
| C3B | C2B | O2B | H65 | 66.0° | 180.0° |
| C01 | C02 | C04 | H14 | 120.1° | 120.0° |
| C01 | C02 | C04 | C05 | 35.5° | 175.0° |
| C02 | C01 | H12 | H13 | 120.0° | 120.1° |
| C02 | C01 | H12 | H11 | 120.0° | 120.0° |
| C02 | C01 | H13 | H11 | 120.0° | 120.0° |
| C01 | C02 | C03 | H17 | 180.0° | 180.0° |
| C01 | C02 | C03 | H16 | 60.0° | 60.0° |
| C01 | C02 | C03 | H15 | 60.0° | 60.0° |
| C01 | C02 | C04 | H18 | 156.3° | 65.0° |
| C01 | C02 | C04 | H70 | 85.3° | 55.0° |
| C02 | C04 | C05 | H18 | 120.8° | 120.0° |
| C02 | C04 | C05 | H70 | 120.8° | 120.0° |
| C02 | C04 | C05 | C06 | 69.5° | 180.0° |
| C04 | C02 | C01 | H12 | 56.9° | 60.0° |
| C04 | C02 | C01 | H13 | 63.1° | 180.0° |
| C04 | C02 | C01 | H11 | 176.9° | 60.0° |
| C04 | C02 | C03 | H17 | 54.9° | 59.9° |
| C04 | C02 | C03 | H16 | 174.9° | 180.0° |
| C04 | C02 | C03 | H15 | 65.1° | 60.0° |
| C02 | C04 | H18 | H70 | 117.5° | 120.0° |
| C02 | C04 | C05 | H71 | 169.9° | 60.0° |
| C02 | C04 | C05 | H19 | 51.1° | 60.0° |
| C04 | C05 | C06 | H71 | 120.6° | 119.9° |
| C04 | C05 | C06 | H19 | 120.6° | 120.0° |
| C04 | C05 | C06 | C07 | 161.3° | 180.0° |
| C05 | C04 | C02 | H14 | 84.7° | 55.0° |
| C05 | C04 | H18 | H70 | 117.5° | 120.0° |
| C04 | C05 | H71 | H19 | 118.1° | 120.0° |
| C04 | C05 | C06 | H20 | 78.5° | 60.1° |
| C04 | C05 | C06 | H21 | 41.1° | 60.0° |
| O7A | P3B | O3B | C3B | 13.8° | 55.0° |
| O7A | P3B | O3B | O8A | 122.0° | 120.0° |
| O7A | P3B | O3B | O9A | 119.5° | 120.0° |
| O7A | P3B | O8A | O9A | 119.0° | 120.0° |
| O7A | P3B | O8A | H66 | 0.0° | 60.0° |
| O7A | P3B | O9A | H67 | 0.0° | 179.9° |
| C4B | C3B | O3B | H55 | 126.1° | 122.6° |
| C3B | C4B | C5B | H54 | 120.7° | 122.3° |
| C3B | C4B | C5B | O5B | 44.7° | 176.6° |
| C4B | C3B | O3B | P3B | 164.9° | 120.0° |
| C3B | C4B | C5B | H52 | 75.2° | 56.6° |
| C3B | C4B | C5B | H53 | 164.8° | 63.4° |
| C4B | C3B | C2B | H56 | 163.6° | 118.8° |
| O3B | C3B | C4B | C5B | 66.0° | 98.6° |
| C3B | O3B | P3B | O8A | 108.3° | 175.0° |
| C3B | O3B | P3B | O9A | 133.3° | 65.0° |
| O3B | C3B | C4B | H54 | 54.8° | 23.7° |
| O3B | C3B | C2B | H56 | 77.7° | 122.6° |
| C4B | C5B | O5B | H52 | 120.0° | 120.0° |
| C4B | C5B | O5B | H53 | 120.0° | 120.0° |
| C4B | C5B | O5B | P1A | 86.9° | 179.9° |
| C4B | C5B | H52 | H53 | 120.0° | 120.0° |
| C5B | C4B | C3B | H55 | 61.8° | 24.0° |
| C05 | C06 | C07 | H20 | 120.2° | 120.0° |
| C05 | C06 | C07 | H21 | 120.2° | 120.0° |
| C05 | C06 | C07 | C09 | 81.7° | 175.1° |
| C05 | C06 | C07 | C08 | 156.1° | 65.0° |
| C06 | C05 | C04 | H18 | 51.3° | 60.1° |
| C06 | C05 | C04 | H70 | 169.8° | 60.0° |
| C06 | C05 | H71 | H19 | 118.1° | 120.0° |
| C05 | C06 | H20 | H21 | 119.4° | 120.0° |
| C05 | C06 | C07 | H22 | 37.0° | 55.0° |
| C5B | O5B | P1A | O1A | 11.2° | 55.0° |
| C5B | O5B | P1A | O2A | 131.7° | 65.0° |
| C5B | O5B | P1A | O3A | 107.4° | 175.0° |
| O5B | C5B | H52 | H53 | 120.0° | 120.0° |
| O5B | C5B | C4B | H54 | 75.9° | 54.2° |
| O3B | P3B | O8A | O9A | 119.7° | 120.0° |
| P3B | O3B | C3B | H55 | 69.0° | 2.6° |
| O3B | P3B | O8A | H66 | 121.3° | 180.0° |
| O3B | P3B | O9A | H67 | 120.5° | 60.0° |
| O8A | P3B | O9A | H67 | 120.8° | 60.0° |
| O9A | P3B | O8A | H66 | 119.0° | 60.0° |
| O5B | P1A | O1A | O2A | 120.8° | 120.0° |
| O5B | P1A | O1A | O3A | 118.8° | 120.0° |
| O5B | P1A | O2A | O3A | 120.0° | 120.0° |
| O5B | P1A | O3A | P2A | 144.7° | 165.0° |
| P1A | O5B | C5B | H52 | 153.1° | 60.0° |
| P1A | O5B | C5B | H53 | 33.1° | 60.0° |
| O5B | P1A | O2A | H64 | 120.7° | 60.0° |
| C06 | C07 | C09 | C08 | 122.1° | 120.0° |
| C06 | C07 | C09 | H22 | 118.4° | 120.1° |
| C06 | C07 | C08 | H22 | 119.1° | 120.1° |
| C06 | C07 | C09 | C10 | 142.4° | 175.0° |
| C07 | C06 | C05 | H71 | 40.7° | 60.0° |
| C07 | C06 | C05 | H19 | 78.1° | 60.0° |
| C07 | C06 | H20 | H21 | 119.3° | 120.0° |
| C06 | C07 | C08 | H23 | 180.0° | 180.0° |
| C06 | C07 | C08 | H25 | 60.0° | 60.0° |
| C06 | C07 | C08 | H24 | 60.0° | 59.9° |
| C06 | C07 | C09 | H26 | 97.2° | 55.0° |
| C06 | C07 | C09 | H27 | 22.1° | 65.0° |
| O1A | P1A | O2A | O3A | 119.3° | 120.0° |
| O1A | P1A | O3A | P2A | 95.9° | 44.9° |
| O1A | P1A | O2A | H64 | 0.0° | 180.0° |
| O2A | P1A | O3A | P2A | 24.0° | 75.1° |
| P1A | O3A | P2A | O5A | 33.6° | 39.9° |
| P1A | O3A | P2A | O4A | 85.1° | 80.1° |
| P1A | O3A | P2A | O6A | 153.0° | 160.0° |
| O3A | P1A | O2A | H64 | 119.3° | 60.0° |
| C09 | C07 | C08 | H22 | 119.7° | 120.0° |
| C07 | C09 | C10 | H26 | 120.4° | 120.0° |
| C07 | C09 | C10 | H27 | 120.3° | 120.0° |
| C07 | C09 | C10 | C11 | 64.0° | 180.0° |
| C07 | C09 | C10 | H2 | 175.6° | 60.0° |
| C07 | C09 | C10 | H1 | 56.3° | 60.0° |
| C09 | C07 | C06 | H20 | 158.1° | 65.0° |
| C09 | C07 | C06 | H21 | 38.5° | 55.0° |
| C09 | C07 | C08 | H23 | 58.7° | 60.1° |
| C09 | C07 | C08 | H25 | 178.7° | 180.0° |
| C09 | C07 | C08 | H24 | 61.2° | 60.0° |
| C07 | C09 | H26 | H27 | 119.0° | 120.0° |
| C08 | C07 | C09 | C10 | 95.5° | 65.0° |
| C08 | C07 | C06 | H20 | 35.8° | 54.9° |
| C08 | C07 | C06 | H21 | 83.7° | 175.0° |
| C07 | C08 | H23 | H25 | 120.0° | 120.0° |
| C07 | C08 | H23 | H24 | 120.0° | 120.1° |
| C07 | C08 | H25 | H24 | 120.0° | 120.0° |
| C08 | C07 | C09 | H26 | 24.9° | 175.0° |
| C08 | C07 | C09 | H27 | 144.2° | 55.0° |
| C09 | C10 | C11 | H2 | 120.4° | 120.0° |
| C09 | C10 | C11 | H1 | 120.4° | 120.1° |
| C09 | C10 | C11 | C12 | 166.4° | 180.0° |
| C09 | C10 | H2 | H1 | 118.8° | 120.0° |
| C10 | C09 | C07 | H22 | 24.0° | 55.0° |
| C10 | C09 | H26 | H27 | 119.0° | 120.0° |
| C09 | C10 | C11 | H28 | 73.1° | 60.0° |
| C09 | C10 | C11 | H29 | 45.9° | 59.9° |
| C10 | C11 | C12 | C13 | 76.6° | 65.0° |
| C10 | C11 | C12 | H28 | 120.5° | 120.0° |
| C10 | C11 | C12 | H29 | 120.5° | 120.1° |
| C10 | C11 | C12 | C14 | 163.6° | 175.0° |
| C11 | C10 | H2 | H1 | 118.8° | 120.0° |
| C11 | C10 | C09 | H26 | 56.3° | 60.0° |
| C11 | C10 | C09 | H27 | 175.6° | 60.0° |
| C10 | C11 | H28 | H29 | 118.4° | 120.0° |
| C10 | C11 | C12 | H30 | 43.2° | 55.0° |
| O3A | P2A | O5A | O4A | 118.0° | 120.0° |
| O3A | P2A | O5A | O6A | 119.8° | 120.0° |
| O3A | P2A | O4A | O6A | 121.5° | 120.0° |
| O3A | P2A | O6A | CCP | 77.9° | 175.0° |
| O3A | P2A | O4A | H63 | 117.0° | 60.0° |
| C13 | C12 | C11 | C14 | 119.8° | 120.0° |
| C13 | C12 | C11 | H30 | 119.8° | 120.0° |
| C13 | C12 | C14 | H30 | 121.2° | 120.0° |
| C13 | C12 | C14 | C15 | 49.1° | 65.0° |
| C12 | C13 | H5 | H4 | 120.0° | 120.0° |
| C12 | C13 | H5 | H3 | 120.0° | 120.1° |
| C12 | C13 | H4 | H3 | 120.0° | 120.0° |
| C13 | C12 | C11 | H28 | 43.9° | 55.0° |
| C13 | C12 | C11 | H29 | 162.9° | 174.9° |
| C13 | C12 | C14 | H31 | 71.5° | 175.0° |
| C13 | C12 | C14 | H72 | 169.6° | 55.0° |
| C11 | C12 | C14 | H30 | 120.1° | 120.0° |
| C11 | C12 | C14 | C15 | 167.8° | 175.0° |
| C12 | C11 | C10 | H2 | 46.1° | 60.0° |
| C12 | C11 | C10 | H1 | 73.2° | 60.0° |
| C11 | C12 | C13 | H5 | 180.0° | 180.0° |
| C11 | C12 | C13 | H4 | 60.0° | 60.0° |
| C11 | C12 | C13 | H3 | 60.0° | 60.0° |
| C12 | C11 | H28 | H29 | 118.5° | 120.0° |
| C11 | C12 | C14 | H31 | 47.3° | 55.0° |
| C11 | C12 | C14 | H72 | 71.7° | 65.0° |
| C12 | C14 | C15 | H31 | 120.5° | 120.0° |
| C12 | C14 | C15 | H72 | 120.5° | 120.0° |
| C12 | C14 | C15 | C16 | 158.3° | 180.0° |
| C14 | C12 | C13 | H5 | 60.8° | 60.0° |
| C14 | C12 | C13 | H4 | 179.2° | 180.0° |
| C14 | C12 | C13 | H3 | 59.2° | 60.0° |
| C12 | C14 | C15 | H6 | 37.9° | 60.0° |
| C12 | C14 | C15 | H69 | 81.2° | 60.0° |
| C14 | C12 | C11 | H28 | 75.9° | 65.0° |
| C14 | C12 | C11 | H29 | 43.1° | 55.0° |
| C12 | C14 | H31 | H72 | 118.4° | 120.0° |
| O5A | P2A | O4A | O6A | 121.5° | 120.0° |
| O5A | P2A | O6A | CCP | 40.0° | 55.0° |
| O5A | P2A | O4A | H63 | 0.0° | 180.0° |
| O4A | P2A | O6A | CCP | 161.5° | 65.0° |
| P2A | O6A | CCP | CBP | 111.7° | 180.0° |
| P2A | O6A | CCP | H50 | 128.2° | 60.0° |
| P2A | O6A | CCP | H51 | 8.3° | 60.0° |
| O6A | P2A | O4A | H63 | 121.6° | 60.0° |
| O6A | CCP | CBP | H50 | 120.1° | 120.0° |
| O6A | CCP | CBP | H51 | 120.0° | 120.0° |
| O6A | CCP | CBP | CEP | 150.1° | 60.0° |
| O6A | CCP | CBP | CDP | 31.1° | 60.0° |
| O6A | CCP | CBP | CAP | 90.0° | 180.0° |
| O6A | CCP | H50 | H51 | 119.9° | 120.0° |
| CCP | CBP | CEP | CDP | 120.1° | 120.0° |
| CCP | CBP | CEP | CAP | 119.8° | 120.1° |
| CCP | CBP | CDP | CAP | 120.9° | 120.1° |
| CCP | CBP | CAP | C9P | 89.6° | 54.4° |
| CCP | CBP | CAP | OAP | 151.0° | 65.5° |
| CCP | CBP | CAP | H43 | 31.4° | 174.5° |
| CCP | CBP | CEP | H44 | 180.0° | 67.1° |
| CCP | CBP | CEP | H46 | 60.0° | 52.9° |
| CCP | CBP | CEP | H45 | 60.0° | 172.9° |
| CCP | CBP | CDP | H49 | 180.0° | 63.0° |
| CCP | CBP | CDP | H48 | 60.0° | 57.0° |
| CCP | CBP | CDP | H47 | 60.0° | 177.0° |
| CBP | CCP | H50 | H51 | 119.9° | 120.0° |
| C14 | C15 | C16 | H6 | 120.4° | 119.9° |
| C14 | C15 | C16 | H69 | 120.5° | 120.0° |
| C14 | C15 | C16 | C17 | 92.0° | 180.0° |
| C14 | C15 | H6 | H69 | 118.7° | 120.0° |
| C15 | C14 | C12 | H30 | 72.1° | 55.0° |
| C15 | C14 | H31 | H72 | 118.4° | 120.0° |
| C14 | C15 | C16 | H32 | 147.4° | 60.0° |
| C14 | C15 | C16 | H33 | 28.7° | 60.0° |
| C15 | C16 | C17 | H32 | 120.6° | 120.0° |
| C15 | C16 | C17 | H33 | 120.6° | 120.0° |
| C15 | C16 | C17 | C18 | 104.7° | 65.0° |
| C15 | C16 | C17 | C19 | 135.3° | 175.0° |
| C16 | C15 | H6 | H69 | 118.6° | 120.0° |
| C15 | C16 | C17 | H7 | 15.6° | 55.0° |
| C16 | C15 | C14 | H31 | 81.1° | 60.0° |
| C16 | C15 | C14 | H72 | 37.8° | 60.0° |
| C15 | C16 | H32 | H33 | 118.1° | 120.0° |
| CEP | CBP | CDP | CAP | 119.9° | 120.0° |
| CEP | CBP | CAP | C9P | 29.9° | 65.6° |
| CEP | CBP | CAP | OAP | 89.5° | 174.5° |
| CEP | CBP | CAP | H43 | 150.8° | 54.4° |
| CBP | CEP | H44 | H46 | 120.0° | 120.0° |
| CBP | CEP | H44 | H45 | 120.0° | 120.0° |
| CBP | CEP | H46 | H45 | 120.0° | 120.0° |
| CEP | CBP | CDP | H49 | 60.8° | 177.1° |
| CEP | CBP | CDP | H48 | 59.3° | 62.9° |
| CEP | CBP | CDP | H47 | 179.2° | 57.0° |
| CEP | CBP | CCP | H50 | 89.8° | 180.0° |
| CEP | CBP | CCP | H51 | 30.0° | 60.1° |
| O9P | C9P | CAP | CBP | 80.7° | 107.8° |
| O9P | C9P | CAP | N8P | 179.6° | 180.0° |
| O9P | C9P | CAP | OAP | 159.5° | 12.2° |
| O9P | C9P | N8P | C7P | 0.3° | 5.1° |
| O9P | C9P | CAP | H43 | 40.2° | 132.1° |
| O9P | C9P | N8P | H60 | 179.7° | 174.9° |
| CDP | CBP | CAP | C9P | 149.1° | 174.5° |
| CDP | CBP | CAP | OAP | 29.7° | 54.5° |
| CDP | CBP | CAP | H43 | 90.0° | 65.5° |
| CDP | CBP | CEP | H44 | 59.9° | 52.8° |
| CDP | CBP | CEP | H46 | 179.9° | 172.8° |
| CDP | CBP | CEP | H45 | 60.1° | 67.2° |
| CBP | CDP | H49 | H48 | 120.0° | 120.0° |
| CBP | CDP | H49 | H47 | 120.0° | 120.0° |
| CBP | CDP | H48 | H47 | 120.0° | 120.0° |
| CDP | CBP | CCP | H50 | 151.2° | 60.0° |
| CDP | CBP | CCP | H51 | 88.9° | 180.0° |
| CBP | CAP | C9P | OAP | 119.8° | 120.0° |
| CBP | CAP | C9P | H43 | 120.9° | 120.1° |
| CBP | CAP | C9P | N8P | 99.7° | 72.2° |
| CBP | CAP | OAP | H43 | 118.6° | 120.1° |
| CAP | CBP | CEP | H44 | 60.2° | 172.8° |
| CAP | CBP | CEP | H46 | 59.8° | 67.2° |
| CAP | CBP | CEP | H45 | 179.8° | 52.8° |
| CAP | CBP | CDP | H49 | 59.1° | 57.1° |
| CAP | CBP | CDP | H48 | 179.2° | 177.1° |
| CAP | CBP | CDP | H47 | 60.9° | 62.9° |
| CAP | CBP | CCP | H50 | 30.1° | 60.0° |
| CAP | CBP | CCP | H51 | 150.0° | 59.9° |
| CBP | CAP | OAP | H68 | 180.0° | 59.9° |
| C9P | CAP | OAP | H43 | 118.3° | 120.0° |
| CAP | C9P | N8P | C7P | 179.9° | 174.9° |
| CAP | C9P | N8P | H60 | 0.1° | 5.1° |
| C9P | CAP | OAP | H68 | 56.9° | 60.0° |
| N8P | C9P | CAP | OAP | 20.1° | 167.8° |
| C9P | N8P | C7P | H60 | 180.0° | 180.0° |
| C9P | N8P | C7P | C6P | 168.9° | 180.0° |
| C9P | N8P | C7P | H41 | 71.0° | 60.0° |
| C9P | N8P | C7P | H42 | 48.8° | 60.0° |
| N8P | C9P | CAP | H43 | 139.4° | 47.9° |
| C16 | C17 | C18 | C19 | 120.0° | 120.0° |
| C16 | C17 | C18 | H7 | 120.3° | 120.0° |
| C16 | C17 | C19 | H7 | 119.6° | 120.0° |
| C16 | C17 | C19 | C20 | 83.0° | 175.0° |
| C17 | C16 | C15 | H6 | 28.5° | 60.0° |
| C17 | C16 | C15 | H69 | 147.6° | 60.0° |
| C17 | C16 | H32 | H33 | 118.1° | 119.9° |
| C16 | C17 | C18 | H35 | 180.0° | 60.0° |
| C16 | C17 | C18 | H34 | 60.0° | 180.0° |
| C16 | C17 | C18 | H36 | 60.0° | 60.0° |
| C16 | C17 | C19 | H37 | 37.3° | 55.0° |
| C16 | C17 | C19 | H38 | 156.8° | 65.0° |
| N8P | C7P | C6P | H41 | 120.1° | 120.0° |
| N8P | C7P | C6P | H42 | 120.1° | 120.0° |
| N8P | C7P | C6P | C5P | 118.1° | 180.0° |
| N8P | C7P | C6P | H9 | 121.7° | 60.0° |
| N8P | C7P | C6P | H10 | 2.2° | 60.0° |
| N8P | C7P | H41 | H42 | 119.7° | 120.1° |
| C7P | C6P | C5P | H9 | 120.3° | 120.0° |
| C7P | C6P | C5P | H10 | 120.3° | 120.0° |
| C7P | C6P | C5P | N4P | 73.0° | 180.0° |
| C7P | C6P | C5P | O5P | 106.4° | 0.0° |
| C7P | C6P | H9 | H10 | 119.2° | 120.0° |
| C6P | C7P | H41 | H42 | 119.6° | 120.0° |
| C6P | C7P | N8P | H60 | 11.1° | 0.0° |
| C18 | C17 | C19 | H7 | 119.7° | 120.0° |
| C18 | C17 | C19 | C20 | 156.4° | 65.0° |
| C18 | C17 | C16 | H32 | 134.6° | 175.0° |
| C18 | C17 | C16 | H33 | 15.9° | 55.0° |
| C17 | C18 | H35 | H34 | 120.0° | 120.0° |
| C17 | C18 | H35 | H36 | 120.0° | 120.0° |
| C17 | C18 | H34 | H36 | 120.0° | 120.0° |
| C18 | C17 | C19 | H37 | 83.3° | 175.0° |
| C18 | C17 | C19 | H38 | 36.2° | 55.0° |
| C17 | C19 | C20 | O21 | 88.3° | 0.0° |
| C17 | C19 | C20 | S1P | 90.8° | 180.0° |
| C17 | C19 | C20 | H37 | 120.3° | 120.0° |
| C17 | C19 | C20 | H38 | 120.3° | 120.0° |
| C19 | C17 | C16 | H32 | 14.7° | 55.0° |
| C19 | C17 | C16 | H33 | 104.0° | 65.0° |
| C19 | C17 | C18 | H35 | 60.0° | 180.0° |
| C19 | C17 | C18 | H34 | 60.0° | 60.0° |
| C19 | C17 | C18 | H36 | 180.0° | 60.0° |
| C17 | C19 | H37 | H38 | 119.2° | 120.0° |
| O21 | C20 | S1P | C19 | 179.1° | 179.9° |
| O21 | C20 | S1P | C2P | 121.7° | 0.0° |
| O21 | C20 | C19 | H37 | 32.0° | 119.9° |
| O21 | C20 | C19 | H38 | 151.5° | 120.0° |
| C20 | S1P | C2P | C3P | 145.7° | 180.0° |
| S1P | C20 | C19 | H37 | 148.9° | 60.0° |
| S1P | C20 | C19 | H38 | 29.4° | 60.0° |
| C20 | S1P | C2P | H39 | 26.1° | 59.9° |
| C20 | S1P | C2P | H40 | 94.6° | 60.0° |
| C2P | S1P | C20 | C19 | 59.2° | 180.0° |
| S1P | C2P | C3P | N4P | 26.3° | 180.0° |
| S1P | C2P | C3P | H39 | 119.7° | 120.1° |
| S1P | C2P | C3P | H40 | 119.7° | 120.0° |
| S1P | C2P | C3P | H73 | 93.3° | 60.0° |
| S1P | C2P | C3P | H8 | 146.0° | 60.0° |
| S1P | C2P | H39 | H40 | 120.9° | 120.0° |
| C20 | C19 | C17 | H7 | 36.7° | 55.0° |
| C20 | C19 | H37 | H38 | 119.2° | 120.0° |
| C6P | C5P | N4P | O5P | 179.4° | 180.0° |
| C6P | C5P | N4P | C3P | 179.5° | 180.0° |
| C5P | C6P | H9 | H10 | 119.2° | 120.1° |
| C5P | C6P | C7P | H41 | 2.0° | 60.0° |
| C5P | C6P | C7P | H42 | 121.8° | 60.0° |
| C6P | C5P | N4P | H74 | 0.5° | 0.0° |
| C5P | N4P | C3P | H74 | 180.0° | 179.9° |
| C5P | N4P | C3P | C2P | 90.4° | 180.0° |
| C5P | N4P | C3P | H73 | 149.8° | 60.0° |
| C5P | N4P | C3P | H8 | 29.2° | 60.0° |
| N4P | C5P | C6P | H9 | 47.3° | 60.0° |
| N4P | C5P | C6P | H10 | 166.8° | 60.0° |
| C3P | N4P | C5P | O5P | 0.1° | 0.0° |
| N4P | C3P | C2P | H73 | 119.7° | 120.1° |
| N4P | C3P | C2P | H8 | 119.7° | 120.0° |
| N4P | C3P | H73 | H8 | 120.9° | 120.0° |
| N4P | C3P | C2P | H39 | 93.3° | 60.0° |
| N4P | C3P | C2P | H40 | 146.0° | 60.0° |
| O5P | C5P | C6P | H9 | 133.3° | 120.0° |
| O5P | C5P | C6P | H10 | 13.9° | 120.0° |
| O5P | C5P | N4P | H74 | 179.9° | 179.9° |
| C2P | C3P | H73 | H8 | 120.9° | 119.9° |
| C3P | C2P | H39 | H40 | 120.9° | 119.9° |
| C2P | C3P | N4P | H74 | 89.6° | 0.1° |
| H2 | C10 | C09 | H26 | 64.0° | 60.0° |
| H2 | C10 | C09 | H27 | 55.3° | 180.0° |
| H2 | C10 | C11 | H28 | 166.6° | NaN° |
| H2 | C10 | C11 | H29 | 74.5° | 60.0° |
| H1 | C10 | C09 | H26 | 176.7° | 179.9° |
| H1 | C10 | C09 | H27 | 64.0° | 60.0° |
| H1 | C10 | C11 | H28 | 47.3° | 60.0° |
| H1 | C10 | C11 | H29 | 166.3° | 180.0° |
| H5 | C13 | H4 | H3 | 120.0° | 120.0° |
| H5 | C13 | C12 | H30 | 60.5° | 59.9° |
| H4 | C13 | C12 | H30 | 59.5° | 60.0° |
| H3 | C13 | C12 | H30 | 179.5° | 180.0° |
| H6 | C15 | C14 | H31 | 158.4° | 59.9° |
| H6 | C15 | C14 | H72 | 82.7° | 180.0° |
| H6 | C15 | C16 | H32 | 92.1° | 179.9° |
| H6 | C15 | C16 | H33 | 149.1° | 59.9° |
| H69 | C15 | C14 | H31 | 39.3° | 180.0° |
| H69 | C15 | C14 | H72 | 158.2° | 60.0° |
| H69 | C15 | C16 | H32 | 27.0° | 60.0° |
| H69 | C15 | C16 | H33 | 91.8° | 180.0° |
| H7 | C17 | C16 | H32 | 105.0° | 65.0° |
| H7 | C17 | C16 | H33 | 136.2° | 175.0° |
| H7 | C17 | C18 | H35 | 59.7° | 60.0° |
| H7 | C17 | C18 | H34 | 179.7° | 60.0° |
| H7 | C17 | C18 | H36 | 60.3° | 180.0° |
| H7 | C17 | C19 | H37 | 157.0° | 65.0° |
| H7 | C17 | C19 | H38 | 83.6° | 175.0° |
| H73 | C3P | C2P | H39 | 147.0° | 60.1° |
| H73 | C3P | C2P | H40 | 26.4° | 179.9° |
| H73 | C3P | N4P | H74 | 30.2° | 120.0° |
| H8 | C3P | C2P | H39 | 26.3° | 180.0° |
| H8 | C3P | C2P | H40 | 94.3° | 60.0° |
| H8 | C3P | N4P | H74 | 150.8° | 120.0° |
| H9 | C6P | C7P | H41 | 118.2° | 180.0° |
| H9 | C6P | C7P | H42 | 1.6° | 60.0° |
| H10 | C6P | C7P | H41 | 122.3° | 60.0° |
| H10 | C6P | C7P | H42 | 117.9° | 180.0° |
| H12 | C01 | H13 | H11 | 120.0° | 120.0° |
| H12 | C01 | C02 | H14 | 62.6° | 180.0° |
| H13 | C01 | C02 | H14 | 177.4° | 60.0° |
| H11 | C01 | C02 | H14 | 57.4° | 60.0° |
| H14 | C02 | C03 | H17 | 62.0° | 60.0° |
| H14 | C02 | C03 | H16 | 58.0° | 60.0° |
| H14 | C02 | C03 | H15 | 178.0° | 180.0° |
| H14 | C02 | C04 | H18 | 36.1° | 175.0° |
| H14 | C02 | C04 | H70 | 154.6° | 65.0° |
| H17 | C03 | H16 | H15 | 119.9° | 120.0° |
| H18 | C04 | C05 | H71 | 69.3° | 180.0° |
| H18 | C04 | C05 | H19 | 171.9° | 60.0° |
| H70 | C04 | C05 | H71 | 49.1° | 60.0° |
| H70 | C04 | C05 | H19 | 69.7° | 180.0° |
| H71 | C05 | C06 | H20 | 160.9° | 180.0° |
| H71 | C05 | C06 | H21 | 79.5° | 60.0° |
| H19 | C05 | C06 | H20 | 42.1° | 60.0° |
| H19 | C05 | C06 | H21 | 161.7° | 180.0° |
| H20 | C06 | C07 | H22 | 83.2° | 175.0° |
| H21 | C06 | C07 | H22 | 157.2° | 65.0° |
| H22 | C07 | C08 | H23 | 60.9° | 59.9° |
| H22 | C07 | C08 | H25 | 59.1° | 60.0° |
| H22 | C07 | C08 | H24 | 179.1° | 180.0° |
| H22 | C07 | C09 | H26 | 144.3° | 65.0° |
| H22 | C07 | C09 | H27 | 96.4° | 175.0° |
| H23 | C08 | H25 | H24 | 120.0° | 120.0° |
| H28 | C11 | C12 | H30 | 163.7° | 175.0° |
| H29 | C11 | C12 | H30 | 77.3° | 65.0° |
| H30 | C12 | C14 | H31 | 167.3° | 65.0° |
| H30 | C12 | C14 | H72 | 48.4° | 175.0° |
| H35 | C18 | H34 | H36 | 120.0° | 120.0° |
| H41 | C7P | N8P | H60 | 109.0° | 120.0° |
| H42 | C7P | N8P | H60 | 131.1° | 120.0° |
| H43 | CAP | OAP | H68 | 61.4° | 180.0° |
| H44 | CEP | H46 | H45 | 120.0° | 120.0° |
| H49 | CDP | H48 | H47 | 120.0° | 120.0° |
| H52 | C5B | C4B | H54 | 164.1° | 65.7° |
| H53 | C5B | C4B | H54 | 44.1° | 174.3° |
| H54 | C4B | C3B | H55 | 177.4° | 146.3° |
| H55 | C3B | C2B | H56 | 49.3° | 0.1° |
| H56 | C2B | C1B | H57 | 112.6° | 146.4° |
| H56 | C2B | O2B | H65 | 53.4° | 57.4° |
