A1C1A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C34 | C33 | doub | 1.36Å | 1.39Å | Aromatic |
| C34 | C35 | sing | 1.41Å | 1.43Å | Aromatic |
| C33 | C29 | sing | 1.39Å | 1.40Å | Aromatic |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C32 | C30 | sing | 1.53Å | 1.53Å | |
| C36 | C35 | doub | 1.41Å | 1.42Å | Aromatic |
| C36 | C37 | sing | 1.36Å | 1.39Å | Aromatic |
| C35 | C27 | sing | 1.42Å | 1.37Å | Aromatic |
| C29 | C30 | sing | 1.51Å | 1.53Å | |
| C29 | C28 | doub | 1.36Å | 1.39Å | Aromatic |
| C37 | C38 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.41Å | 1.43Å | Aromatic |
| C27 | C26 | doub | 1.41Å | 1.45Å | Aromatic |
| C38 | C26 | sing | 1.36Å | 1.39Å | Aromatic |
| C26 | C02 | sing | 1.51Å | 1.62Å | |
| C22 | N23 | sing | 1.47Å | 1.45Å | |
| C22 | C07 | sing | 1.53Å | 1.52Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C25 | N03 | sing | 1.47Å | 1.44Å | |
| C24 | C06 | sing | 1.53Å | 1.43Å | |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| C06 | C05 | sing | 1.53Å | 1.43Å | |
| C02 | N03 | sing | 1.47Å | 1.29Å | |
| C02 | C01 | sing | 1.53Å | 1.60Å | |
| N03 | C04 | sing | 1.47Å | 1.43Å | |
| C07 | C08 | sing | 1.51Å | 1.54Å | |
| O21 | C08 | doub | 1.21Å | 1.18Å | |
| C08 | N09 | sing | 1.35Å | 1.47Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| N09 | C10 | doub | 1.30Å | 1.47Å | |
| C10 | C11 | sing | 1.49Å | 1.54Å | |
| C11 | O20 | doub | 1.21Å | 1.19Å | |
| C11 | N12 | sing | 1.35Å | 1.46Å | |
| N12 | C13 | sing | 1.46Å | 1.46Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| O19 | C16 | doub | 1.21Å | 1.18Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | O17 | sing | 1.34Å | 1.40Å | |
| C16 | C15 | sing | 1.51Å | 1.53Å | |
| O17 | C18 | sing | 1.45Å | 1.40Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| N12 | H2 | sing | 0.97Å | 1.00Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.08Å | 1.08Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C02 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.09Å | 1.10Å | |
| C04 | H17 | sing | 1.09Å | 1.10Å | |
| C05 | H18 | sing | 1.09Å | 1.10Å | |
| C05 | H19 | sing | 1.09Å | 1.10Å | |
| C06 | H20 | sing | 1.09Å | 1.10Å | |
| C07 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.08Å | 1.08Å | |
| C34 | H37 | sing | 1.08Å | 1.08Å | |
| C36 | H38 | sing | 1.08Å | 1.08Å | |
| C37 | H39 | sing | 1.08Å | 1.08Å | |
| C38 | H40 | sing | 1.08Å | 1.08Å | |
| N23 | H42 | sing | 1.01Å | 1.00Å | |
| N23 | H43 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C33 | C34 | C35 | 120.3° | 119.7° |
| C34 | C33 | C29 | 119.4° | 121.0° |
| C34 | C33 | H36 | 120.3° | 119.6° |
| C33 | C34 | H37 | 119.8° | 120.1° |
| C34 | C35 | C36 | 118.6° | 121.3° |
| C34 | C35 | C27 | 120.8° | 119.4° |
| C35 | C34 | H37 | 119.8° | 120.2° |
| C33 | C29 | C30 | 120.3° | 119.5° |
| C33 | C29 | C28 | 120.2° | 121.0° |
| C29 | C33 | H36 | 120.3° | 119.5° |
| C31 | C30 | C32 | 112.1° | 109.5° |
| C31 | C30 | C29 | 111.5° | 109.4° |
| C31 | C30 | H29 | 107.2° | 109.5° |
| C30 | C31 | H30 | 109.5° | 109.5° |
| C30 | C31 | H31 | 109.5° | 109.4° |
| C30 | C31 | H32 | 109.5° | 109.5° |
| C32 | C30 | C29 | 111.4° | 109.5° |
| C32 | C30 | H29 | 107.2° | 109.5° |
| C30 | C32 | H33 | 109.5° | 109.5° |
| C30 | C32 | H34 | 109.5° | 109.5° |
| C30 | C32 | H35 | 109.5° | 109.5° |
| C35 | C36 | C37 | 119.9° | 119.6° |
| C36 | C35 | C27 | 120.6° | 119.4° |
| C35 | C36 | H38 | 120.0° | 120.2° |
| C36 | C37 | C38 | 119.8° | 121.0° |
| C37 | C36 | H38 | 120.1° | 120.2° |
| C36 | C37 | H39 | 120.1° | 119.5° |
| C35 | C27 | C28 | 118.2° | 119.3° |
| C35 | C27 | C26 | 119.6° | 119.4° |
| C30 | C29 | C28 | 119.5° | 119.5° |
| C29 | C30 | H29 | 107.2° | 109.5° |
| C29 | C28 | C27 | 121.2° | 119.6° |
| C29 | C28 | H11 | 119.4° | 120.2° |
| C37 | C38 | C26 | 121.4° | 121.0° |
| C38 | C37 | H39 | 120.1° | 119.5° |
| C37 | C38 | H40 | 119.3° | 119.5° |
| C28 | C27 | C26 | 122.2° | 121.3° |
| C27 | C28 | H11 | 119.4° | 120.1° |
| C27 | C26 | C38 | 118.6° | 119.6° |
| C27 | C26 | C02 | 126.3° | 120.2° |
| C38 | C26 | C02 | 115.0° | 120.2° |
| C26 | C38 | H40 | 119.3° | 119.5° |
| C26 | C02 | N03 | 117.8° | 109.5° |
| C26 | C02 | C01 | 113.2° | 109.5° |
| C26 | C02 | H15 | 103.4° | 109.4° |
| N23 | C22 | C07 | 111.9° | 109.4° |
| N23 | C22 | H7 | 108.9° | 109.5° |
| N23 | C22 | H8 | 108.9° | 109.4° |
| C22 | N23 | H42 | 109.5° | 111.0° |
| C22 | N23 | H43 | 109.4° | 111.0° |
| C22 | C07 | C06 | 109.6° | 109.4° |
| C22 | C07 | C08 | 110.7° | 109.5° |
| C07 | C22 | H7 | 108.9° | 109.5° |
| C07 | C22 | H8 | 108.9° | 109.5° |
| C22 | C07 | H21 | 109.8° | 109.5° |
| C24 | C25 | N03 | 113.9° | 109.5° |
| C25 | C24 | C06 | 110.0° | 109.3° |
| C25 | C24 | H9 | 109.3° | 109.5° |
| C25 | C24 | H10 | 109.4° | 109.6° |
| C24 | C25 | H27 | 108.4° | 109.5° |
| C24 | C25 | H28 | 108.3° | 109.5° |
| C25 | N03 | C02 | 115.8° | 111.0° |
| C25 | N03 | C04 | 113.7° | 111.2° |
| N03 | C25 | H27 | 108.3° | 109.4° |
| N03 | C25 | H28 | 108.3° | 109.5° |
| C24 | C06 | C07 | 113.0° | 109.5° |
| C24 | C06 | C05 | 109.7° | 109.1° |
| C06 | C24 | H9 | 109.4° | 109.5° |
| C06 | C24 | H10 | 109.4° | 109.6° |
| C24 | C06 | H20 | 108.8° | 109.5° |
| C07 | C06 | C05 | 109.0° | 109.5° |
| C06 | C07 | C08 | 107.5° | 109.5° |
| C07 | C06 | H20 | 107.4° | 109.5° |
| C06 | C07 | H21 | 109.6° | 109.5° |
| C06 | C05 | C04 | 110.3° | 109.3° |
| C06 | C05 | H18 | 109.3° | 109.5° |
| C06 | C05 | H19 | 109.3° | 109.5° |
| C05 | C06 | H20 | 108.8° | 109.6° |
| N03 | C02 | C01 | 110.4° | 109.5° |
| C02 | N03 | C04 | 105.2° | 111.0° |
| N03 | C02 | H15 | 106.9° | 109.5° |
| C02 | C01 | H12 | 109.5° | 109.5° |
| C02 | C01 | H13 | 109.5° | 109.5° |
| C02 | C01 | H14 | 109.5° | 109.4° |
| C01 | C02 | H15 | 103.5° | 109.5° |
| N03 | C04 | C05 | 115.2° | 109.5° |
| N03 | C04 | H16 | 108.0° | 109.4° |
| N03 | C04 | H17 | 108.0° | 109.5° |
| C07 | C08 | O21 | 120.3° | 120.0° |
| C07 | C08 | N09 | 120.9° | 120.0° |
| C08 | C07 | H21 | 109.6° | 109.5° |
| O21 | C08 | N09 | 118.7° | 120.0° |
| C08 | N09 | C10 | 119.0° | 120.0° |
| C05 | C04 | H16 | 108.0° | 109.5° |
| C05 | C04 | H17 | 108.0° | 109.5° |
| C04 | C05 | H18 | 109.3° | 109.5° |
| C04 | C05 | H19 | 109.3° | 109.5° |
| N09 | C10 | C11 | 118.9° | 120.0° |
| N09 | C10 | H1 | 120.5° | 120.0° |
| C10 | C11 | O20 | 120.9° | 120.0° |
| C10 | C11 | N12 | 119.2° | 120.0° |
| C11 | C10 | H1 | 120.6° | 120.0° |
| O20 | C11 | N12 | 119.9° | 120.0° |
| C11 | N12 | C13 | 120.3° | 120.0° |
| C11 | N12 | H2 | 119.9° | 120.0° |
| N12 | C13 | C14 | 108.4° | 109.5° |
| C13 | N12 | H2 | 119.8° | 120.0° |
| N12 | C13 | H3 | 109.7° | 109.5° |
| N12 | C13 | H4 | 109.7° | 109.5° |
| C13 | C14 | C15 | 111.5° | 109.5° |
| C14 | C13 | H3 | 109.7° | 109.5° |
| C14 | C13 | H4 | 109.7° | 109.4° |
| C13 | C14 | H22 | 109.0° | 109.4° |
| C13 | C14 | H23 | 109.0° | 109.5° |
| O19 | C16 | O17 | 120.5° | 120.0° |
| O19 | C16 | C15 | 119.8° | 120.0° |
| C14 | C15 | C16 | 112.3° | 109.4° |
| C14 | C15 | H5 | 108.8° | 109.4° |
| C14 | C15 | H6 | 108.8° | 109.5° |
| C15 | C14 | H22 | 109.0° | 109.5° |
| C15 | C14 | H23 | 108.9° | 109.5° |
| O17 | C16 | C15 | 119.7° | 120.0° |
| C16 | O17 | C18 | 114.5° | 117.0° |
| C16 | C15 | H5 | 108.8° | 109.5° |
| C16 | C15 | H6 | 108.8° | 109.5° |
| O17 | C18 | H24 | 109.5° | 109.5° |
| O17 | C18 | H25 | 109.5° | 109.5° |
| O17 | C18 | H26 | 109.5° | 109.4° |
| H3 | C13 | H4 | 109.5° | 109.4° |
| H5 | C15 | H6 | 109.5° | 109.5° |
| H7 | C22 | H8 | 109.5° | 109.5° |
| H9 | C24 | H10 | 109.4° | 109.5° |
| H12 | C01 | H13 | 109.5° | 109.5° |
| H12 | C01 | H14 | 109.5° | 109.5° |
| H13 | C01 | H14 | 109.4° | 109.5° |
| H16 | C04 | H17 | 109.5° | 109.5° |
| H18 | C05 | H19 | 109.5° | 109.5° |
| H22 | C14 | H23 | 109.5° | 109.5° |
| H24 | C18 | H25 | 109.5° | 109.4° |
| H24 | C18 | H26 | 109.5° | 109.5° |
| H25 | C18 | H26 | 109.4° | 109.5° |
| H27 | C25 | H28 | 109.4° | 109.5° |
| H30 | C31 | H31 | 109.4° | 109.5° |
| H30 | C31 | H32 | 109.4° | 109.5° |
| H31 | C31 | H32 | 109.5° | 109.4° |
| H33 | C32 | H34 | 109.4° | 109.5° |
| H33 | C32 | H35 | 109.5° | 109.4° |
| H34 | C32 | H35 | 109.4° | 109.5° |
| H42 | N23 | H43 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C33 | C34 | C35 | H37 | 180.0° | 179.9° |
| C34 | C33 | C29 | H36 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 180.0° | 180.0° |
| C33 | C34 | C35 | C27 | 0.0° | 0.0° |
| C34 | C33 | C29 | C30 | 180.0° | 180.0° |
| C34 | C33 | C29 | C28 | 0.3° | 0.0° |
| C35 | C34 | C33 | C29 | 0.1° | 0.0° |
| C34 | C35 | C36 | C27 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 179.9° | 180.0° |
| C34 | C35 | C27 | C28 | 0.4° | 0.0° |
| C34 | C35 | C27 | C26 | 179.4° | 179.9° |
| C35 | C34 | C33 | H36 | 179.9° | 179.9° |
| C34 | C35 | C36 | H38 | 0.1° | 0.0° |
| C33 | C29 | C30 | C31 | 84.2° | 59.9° |
| C33 | C29 | C30 | C32 | 41.8° | 60.0° |
| C33 | C29 | C30 | C28 | 179.7° | 179.9° |
| C33 | C29 | C28 | C27 | 0.7° | 0.0° |
| C33 | C29 | C28 | H11 | 179.3° | 180.0° |
| C33 | C29 | C30 | H29 | 158.7° | 179.9° |
| C29 | C33 | C34 | H37 | 179.9° | 179.9° |
| C31 | C30 | C32 | C29 | 125.6° | 120.0° |
| C31 | C30 | C32 | H29 | 117.4° | 120.0° |
| C31 | C30 | C29 | H29 | 117.0° | 120.0° |
| C31 | C30 | C29 | C28 | 95.5° | 120.0° |
| C30 | C31 | H30 | H31 | 120.0° | 120.0° |
| C30 | C31 | H30 | H32 | 120.0° | 120.0° |
| C30 | C31 | H31 | H32 | 120.0° | 119.9° |
| C31 | C30 | C32 | H33 | 180.0° | 60.0° |
| C31 | C30 | C32 | H34 | 60.0° | 180.0° |
| C31 | C30 | C32 | H35 | 60.0° | 60.0° |
| C32 | C30 | C29 | H29 | 117.0° | 120.0° |
| C32 | C30 | C29 | C28 | 138.5° | 120.0° |
| C32 | C30 | C31 | H30 | 180.0° | 60.0° |
| C32 | C30 | C31 | H31 | 60.0° | 60.1° |
| C32 | C30 | C31 | H32 | 60.0° | 180.0° |
| C30 | C32 | H33 | H34 | 120.0° | 120.0° |
| C30 | C32 | H33 | H35 | 120.0° | 120.0° |
| C30 | C32 | H34 | H35 | 120.0° | 120.0° |
| C35 | C36 | C37 | H38 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.1° | 0.3° |
| C36 | C35 | C27 | C28 | 179.6° | 180.0° |
| C36 | C35 | C27 | C26 | 0.6° | 0.1° |
| C36 | C35 | C34 | H37 | 0.0° | 0.1° |
| C35 | C36 | C37 | H39 | 179.9° | 180.0° |
| C37 | C36 | C35 | C27 | 0.1° | 0.0° |
| C36 | C37 | C38 | H39 | 180.0° | 179.7° |
| C36 | C37 | C38 | C26 | 0.2° | 0.5° |
| C36 | C37 | C38 | H40 | 179.7° | 180.0° |
| C35 | C27 | C28 | C29 | 0.7° | 0.0° |
| C35 | C27 | C28 | C26 | 179.0° | 180.0° |
| C35 | C27 | C26 | C38 | 0.9° | 0.2° |
| C35 | C27 | C26 | C02 | 179.6° | 180.0° |
| C35 | C27 | C28 | H11 | 179.3° | 180.0° |
| C27 | C35 | C34 | H37 | 180.0° | 179.9° |
| C27 | C35 | C36 | H38 | 179.9° | 180.0° |
| C30 | C29 | C28 | C27 | 179.6° | 180.0° |
| C30 | C29 | C28 | H11 | 0.4° | 0.0° |
| C29 | C30 | C31 | H30 | 54.4° | 60.0° |
| C29 | C30 | C31 | H31 | 174.4° | 180.0° |
| C29 | C30 | C31 | H32 | 65.6° | 60.1° |
| C29 | C30 | C32 | H33 | 54.4° | 60.0° |
| C29 | C30 | C32 | H34 | 65.7° | 60.0° |
| C29 | C30 | C32 | H35 | 174.4° | 180.0° |
| C30 | C29 | C33 | H36 | 0.0° | 0.1° |
| C29 | C28 | C27 | H11 | 180.0° | 180.0° |
| C29 | C28 | C27 | C26 | 179.7° | 180.0° |
| C28 | C29 | C30 | H29 | 21.5° | 0.0° |
| C28 | C29 | C33 | H36 | 179.7° | 179.9° |
| C37 | C38 | C26 | C27 | 0.7° | 0.5° |
| C37 | C38 | C26 | H40 | 180.0° | 179.5° |
| C37 | C38 | C26 | C02 | 179.5° | 179.7° |
| C38 | C37 | C36 | H38 | 179.9° | 179.7° |
| C28 | C27 | C26 | C38 | 179.8° | 179.8° |
| C28 | C27 | C26 | C02 | 1.5° | 0.0° |
| C27 | C26 | C38 | C02 | 178.8° | 179.8° |
| C27 | C26 | C02 | N03 | 78.5° | 153.0° |
| C27 | C26 | C02 | C01 | 52.5° | 87.0° |
| C26 | C27 | C28 | H11 | 0.3° | 0.0° |
| C27 | C26 | C02 | H15 | 163.8° | 33.0° |
| C27 | C26 | C38 | H40 | 179.3° | 180.0° |
| C38 | C26 | C02 | N03 | 102.8° | 26.8° |
| C38 | C26 | C02 | C01 | 126.2° | 93.2° |
| C38 | C26 | C02 | H15 | 14.9° | 146.8° |
| C26 | C38 | C37 | H39 | 179.7° | 179.8° |
| C26 | C02 | N03 | C25 | 2.3° | 66.9° |
| C26 | C02 | N03 | C01 | 132.2° | 120.0° |
| C26 | C02 | N03 | H15 | 115.8° | 120.0° |
| C26 | C02 | C01 | H15 | 111.3° | 120.0° |
| C26 | C02 | N03 | C04 | 128.7° | 168.9° |
| C26 | C02 | C01 | H12 | 180.0° | 60.0° |
| C26 | C02 | C01 | H13 | 60.0° | 180.0° |
| C26 | C02 | C01 | H14 | 60.0° | 60.0° |
| C02 | C26 | C38 | H40 | 0.5° | 0.2° |
| N23 | C22 | C07 | H7 | 120.4° | 120.0° |
| N23 | C22 | C07 | H8 | 120.4° | 119.9° |
| N23 | C22 | C07 | C06 | 157.2° | 175.0° |
| N23 | C22 | C07 | C08 | 38.8° | 65.0° |
| N23 | C22 | H7 | H8 | 118.9° | 120.0° |
| N23 | C22 | C07 | H21 | 82.4° | 55.0° |
| C22 | N23 | H42 | H43 | 120.0° | 124.0° |
| C22 | C07 | C06 | C24 | 44.4° | 60.0° |
| C22 | C07 | C06 | C08 | 120.4° | 120.0° |
| C22 | C07 | C06 | H21 | 120.6° | 120.0° |
| C22 | C07 | C06 | C05 | 166.7° | 179.7° |
| C22 | C07 | C08 | H21 | 121.3° | 120.0° |
| C22 | C07 | C08 | O21 | 36.0° | 120.0° |
| C22 | C07 | C08 | N09 | 145.1° | 60.0° |
| C07 | C22 | H7 | H8 | 118.9° | 120.0° |
| C22 | C07 | C06 | H20 | 75.6° | 60.1° |
| C07 | C22 | N23 | H42 | 180.0° | 180.0° |
| C07 | C22 | N23 | H43 | 60.0° | 56.1° |
| C24 | C25 | N03 | H27 | 120.7° | 120.0° |
| C24 | C25 | N03 | H28 | 120.7° | 120.0° |
| C25 | C24 | C06 | H9 | 120.1° | 119.9° |
| C25 | C24 | C06 | H10 | 120.1° | 120.0° |
| C25 | C24 | C06 | C07 | 176.4° | 177.5° |
| C25 | C24 | C06 | C05 | 61.7° | 57.7° |
| C24 | C25 | N03 | C02 | 164.5° | 174.2° |
| C24 | C25 | N03 | C04 | 42.5° | 61.7° |
| C25 | C24 | H9 | H10 | 119.8° | 120.1° |
| C25 | C24 | C06 | H20 | 57.2° | 62.3° |
| C24 | C25 | H27 | H28 | 118.0° | 120.0° |
| N03 | C25 | C24 | C06 | 52.7° | 59.2° |
| C25 | N03 | C02 | C04 | 126.4° | 124.2° |
| C25 | N03 | C02 | C01 | 134.6° | 173.2° |
| C25 | N03 | C04 | C05 | 41.8° | 61.8° |
| N03 | C25 | C24 | H9 | 67.4° | 179.1° |
| N03 | C25 | C24 | H10 | 172.8° | 60.8° |
| C25 | N03 | C02 | H15 | 113.4° | 53.1° |
| C25 | N03 | C04 | H16 | 79.0° | 178.2° |
| C25 | N03 | C04 | H17 | 162.7° | 58.3° |
| N03 | C25 | H27 | H28 | 118.0° | 120.0° |
| C24 | C06 | C07 | C05 | 122.3° | 119.6° |
| C24 | C06 | C07 | H20 | 120.0° | 120.1° |
| C24 | C06 | C05 | H20 | 118.9° | 119.9° |
| C24 | C06 | C07 | C08 | 164.7° | 180.0° |
| C24 | C06 | C05 | C04 | 60.6° | 57.7° |
| C06 | C24 | H9 | H10 | 119.8° | 120.1° |
| C24 | C06 | C05 | H18 | 59.5° | 177.7° |
| C24 | C06 | C05 | H19 | 179.3° | 62.3° |
| C24 | C06 | C07 | H21 | 76.2° | 60.0° |
| C06 | C24 | C25 | H27 | 68.0° | 60.8° |
| C06 | C24 | C25 | H28 | 173.4° | 179.2° |
| C07 | C06 | C05 | H20 | 116.8° | 120.2° |
| C06 | C07 | C08 | H21 | 119.0° | 120.0° |
| C06 | C07 | C08 | O21 | 83.7° | 0.0° |
| C06 | C07 | C08 | N09 | 95.2° | 179.9° |
| C07 | C06 | C05 | C04 | 175.1° | 177.5° |
| C06 | C07 | C22 | H7 | 36.8° | 55.0° |
| C06 | C07 | C22 | H8 | 82.4° | 65.0° |
| C07 | C06 | C24 | H9 | 63.5° | 62.5° |
| C07 | C06 | C24 | H10 | 56.3° | 57.5° |
| C07 | C06 | C05 | H18 | 64.7° | 62.5° |
| C07 | C06 | C05 | H19 | 55.0° | 57.6° |
| C06 | C05 | C04 | N03 | 50.9° | 59.2° |
| C05 | C06 | C07 | C08 | 73.0° | 60.3° |
| C06 | C05 | C04 | H18 | 120.1° | 120.0° |
| C06 | C05 | C04 | H19 | 120.1° | 120.0° |
| C05 | C06 | C24 | H9 | 58.4° | 177.6° |
| C05 | C06 | C24 | H10 | 178.2° | 62.4° |
| C06 | C05 | C04 | H16 | 69.9° | 179.2° |
| C06 | C05 | C04 | H17 | 171.7° | 60.8° |
| C06 | C05 | H18 | H19 | 119.7° | 120.1° |
| C05 | C06 | C07 | H21 | 46.1° | 59.7° |
| N03 | C02 | C01 | H15 | 114.1° | 120.0° |
| C02 | N03 | C04 | C05 | 169.5° | 174.2° |
| N03 | C02 | C01 | H12 | 45.5° | 60.0° |
| N03 | C02 | C01 | H13 | 165.5° | 60.0° |
| N03 | C02 | C01 | H14 | 74.6° | 180.0° |
| C02 | N03 | C04 | H16 | 48.6° | 54.2° |
| C02 | N03 | C04 | H17 | 69.7° | 65.8° |
| C02 | N03 | C25 | H27 | 43.8° | 65.8° |
| C02 | N03 | C25 | H28 | 74.9° | 54.2° |
| C01 | C02 | N03 | C04 | 99.0° | 49.0° |
| C02 | C01 | H12 | H13 | 120.0° | 120.0° |
| C02 | C01 | H12 | H14 | 120.0° | 120.0° |
| C02 | C01 | H13 | H14 | 120.0° | 120.0° |
| N03 | C04 | C05 | H16 | 120.8° | 120.0° |
| N03 | C04 | C05 | H17 | 120.8° | 120.0° |
| C04 | N03 | C02 | H15 | 13.0° | 71.1° |
| N03 | C04 | H16 | H17 | 117.4° | 120.0° |
| N03 | C04 | C05 | H18 | 69.2° | 179.2° |
| N03 | C04 | C05 | H19 | 171.0° | 60.8° |
| C04 | N03 | C25 | H27 | 78.2° | 58.2° |
| C04 | N03 | C25 | H28 | 163.2° | 178.3° |
| C07 | C08 | O21 | N09 | 178.9° | 179.9° |
| C07 | C08 | N09 | C10 | 179.5° | 180.0° |
| C08 | C07 | C22 | H7 | 81.5° | 175.0° |
| C08 | C07 | C22 | H8 | 159.2° | 55.0° |
| C08 | C07 | C06 | H20 | 44.8° | 59.9° |
| O21 | C08 | N09 | C10 | 0.6° | 0.0° |
| O21 | C08 | C07 | H21 | 157.3° | 120.0° |
| C08 | N09 | C10 | C11 | 163.8° | 179.9° |
| C08 | N09 | C10 | H1 | 16.2° | 0.3° |
| N09 | C08 | C07 | H21 | 23.8° | 60.0° |
| C05 | C04 | H16 | H17 | 117.4° | 120.0° |
| C04 | C05 | H18 | H19 | 119.6° | 120.1° |
| C04 | C05 | C06 | H20 | 58.3° | 62.3° |
| N09 | C10 | C11 | H1 | 180.0° | 179.7° |
| N09 | C10 | C11 | O20 | 16.3° | 0.3° |
| N09 | C10 | C11 | N12 | 163.9° | 179.7° |
| C10 | C11 | O20 | N12 | 179.8° | 179.9° |
| C10 | C11 | N12 | C13 | 179.9° | 180.0° |
| C10 | C11 | N12 | H2 | 0.1° | 0.0° |
| O20 | C11 | N12 | C13 | 0.3° | 0.0° |
| O20 | C11 | C10 | H1 | 163.7° | 180.0° |
| O20 | C11 | N12 | H2 | 179.7° | 179.9° |
| C11 | N12 | C13 | H2 | 180.0° | 180.0° |
| C11 | N12 | C13 | C14 | 148.8° | 180.0° |
| N12 | C11 | C10 | H1 | 16.1° | 0.1° |
| C11 | N12 | C13 | H3 | 29.0° | 59.9° |
| C11 | N12 | C13 | H4 | 91.3° | 60.0° |
| N12 | C13 | C14 | H3 | 119.8° | 120.1° |
| N12 | C13 | C14 | H4 | 119.8° | 120.0° |
| N12 | C13 | C14 | C15 | 135.0° | 180.0° |
| N12 | C13 | H3 | H4 | 120.5° | 120.0° |
| N12 | C13 | C14 | H22 | 14.7° | 60.0° |
| N12 | C13 | C14 | H23 | 104.7° | 60.0° |
| C13 | C14 | C15 | H22 | 120.3° | 120.0° |
| C13 | C14 | C15 | H23 | 120.3° | 120.0° |
| C13 | C14 | C15 | C16 | 97.8° | 180.0° |
| C14 | C13 | N12 | H2 | 31.2° | 0.0° |
| C14 | C13 | H3 | H4 | 120.5° | 119.9° |
| C13 | C14 | C15 | H5 | 141.8° | 60.0° |
| C13 | C14 | C15 | H6 | 22.6° | 60.0° |
| C13 | C14 | H22 | H23 | 119.1° | 120.0° |
| O19 | C16 | C15 | C14 | 38.1° | 0.0° |
| O19 | C16 | O17 | C15 | 179.6° | 179.9° |
| O19 | C16 | O17 | C18 | 33.8° | 0.1° |
| O19 | C16 | C15 | H5 | 82.3° | 119.9° |
| O19 | C16 | C15 | H6 | 158.5° | 120.0° |
| C14 | C15 | C16 | O17 | 141.6° | 180.0° |
| C14 | C15 | C16 | H5 | 120.4° | 120.0° |
| C14 | C15 | C16 | H6 | 120.4° | 120.0° |
| C15 | C14 | C13 | H3 | 105.1° | 59.9° |
| C15 | C14 | C13 | H4 | 15.2° | 60.0° |
| C14 | C15 | H5 | H6 | 118.7° | 120.0° |
| C15 | C14 | H22 | H23 | 119.1° | 120.0° |
| O17 | C16 | C15 | H5 | 98.0° | 60.0° |
| O17 | C16 | C15 | H6 | 21.1° | 60.1° |
| C16 | O17 | C18 | H24 | 180.0° | 59.9° |
| C16 | O17 | C18 | H25 | 60.0° | 60.0° |
| C16 | O17 | C18 | H26 | 60.0° | 179.9° |
| C15 | C16 | O17 | C18 | 146.6° | 180.0° |
| C16 | C15 | H5 | H6 | 118.7° | 120.0° |
| C16 | C15 | C14 | H22 | 22.5° | 60.0° |
| C16 | C15 | C14 | H23 | 141.8° | 60.0° |
| O17 | C18 | H24 | H25 | 120.0° | 120.0° |
| O17 | C18 | H24 | H26 | 120.0° | 120.0° |
| O17 | C18 | H25 | H26 | 120.0° | 120.0° |
| H2 | N12 | C13 | H3 | 151.0° | 120.1° |
| H2 | N12 | C13 | H4 | 88.7° | 120.0° |
| H3 | C13 | C14 | H22 | 134.5° | 179.9° |
| H3 | C13 | C14 | H23 | 15.2° | 60.1° |
| H4 | C13 | C14 | H22 | 105.1° | 60.0° |
| H4 | C13 | C14 | H23 | 135.5° | 180.0° |
| H5 | C15 | C14 | H22 | 97.9° | 180.0° |
| H5 | C15 | C14 | H23 | 21.4° | 60.0° |
| H6 | C15 | C14 | H22 | 142.9° | 60.0° |
| H6 | C15 | C14 | H23 | 97.7° | 180.0° |
| H7 | C22 | C07 | H21 | 157.3° | 65.0° |
| H7 | C22 | N23 | H42 | 59.6° | 60.0° |
| H7 | C22 | N23 | H43 | 60.4° | 176.1° |
| H8 | C22 | C07 | H21 | 38.0° | 175.0° |
| H8 | C22 | N23 | H42 | 59.6° | 60.1° |
| H8 | C22 | N23 | H43 | 179.6° | 63.9° |
| H9 | C24 | C06 | H20 | 177.3° | 57.6° |
| H9 | C24 | C25 | H27 | 171.9° | 59.2° |
| H9 | C24 | C25 | H28 | 53.3° | 60.9° |
| H10 | C24 | C06 | H20 | 62.9° | 177.7° |
| H10 | C24 | C25 | H27 | 52.1° | 179.2° |
| H10 | C24 | C25 | H28 | 66.5° | 59.1° |
| H12 | C01 | H13 | H14 | 120.0° | 120.0° |
| H12 | C01 | C02 | H15 | 68.7° | 180.0° |
| H13 | C01 | C02 | H15 | 51.3° | 60.0° |
| H14 | C01 | C02 | H15 | 171.3° | 60.0° |
| H16 | C04 | C05 | H18 | 169.9° | 60.9° |
| H16 | C04 | C05 | H19 | 50.2° | 59.2° |
| H17 | C04 | C05 | H18 | 51.6° | 59.1° |
| H17 | C04 | C05 | H19 | 68.1° | 179.2° |
| H18 | C05 | C06 | H20 | 178.4° | 57.7° |
| H19 | C05 | C06 | H20 | 61.8° | 177.8° |
| H20 | C06 | C07 | H21 | 163.8° | 179.9° |
| H24 | C18 | H25 | H26 | 120.0° | 120.0° |
| H29 | C30 | C31 | H30 | 62.6° | 180.0° |
| H29 | C30 | C31 | H31 | 57.4° | 59.9° |
| H29 | C30 | C31 | H32 | 177.4° | 60.0° |
| H29 | C30 | C32 | H33 | 62.6° | 179.9° |
| H29 | C30 | C32 | H34 | 177.4° | 60.0° |
| H29 | C30 | C32 | H35 | 57.4° | 60.0° |
| H30 | C31 | H31 | H32 | 120.0° | 120.0° |
| H33 | C32 | H34 | H35 | 120.0° | 120.0° |
| H36 | C33 | C34 | H37 | 0.1° | 0.0° |
| H38 | C36 | C37 | H39 | 0.1° | 0.0° |
| H39 | C37 | C38 | H40 | 0.3° | 0.3° |
