JKD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | sing | 1.34Å | 1.42Å | Aromatic |
| C02 | C03 | doub | 1.36Å | 1.45Å | Aromatic |
| N01 | C04 | doub | 1.31Å | 1.40Å | Aromatic |
| C04 | N05 | sing | 1.36Å | 1.48Å | Aromatic |
| C03 | C06 | sing | 1.41Å | 1.46Å | Aromatic |
| N05 | C06 | sing | 1.37Å | 1.36Å | Aromatic |
| C06 | N07 | doub | 1.32Å | 1.40Å | Aromatic |
| N07 | C08 | sing | 1.33Å | 1.37Å | Aromatic |
| N05 | N09 | sing | 1.40Å | 1.39Å | Aromatic |
| C08 | N09 | doub | 1.31Å | 1.36Å | Aromatic |
| C08 | C10 | sing | 1.51Å | 1.49Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C12 | N13 | sing | 1.33Å | 1.38Å | Aromatic |
| N13 | C14 | doub | 1.32Å | 1.37Å | Aromatic |
| C14 | N15 | sing | 1.35Å | 1.37Å | Aromatic |
| C12 | N16 | doub | 1.31Å | 1.36Å | Aromatic |
| N15 | N16 | sing | 1.40Å | 1.38Å | Aromatic |
| C14 | N17 | sing | 1.38Å | 1.49Å | |
| N17 | C18 | sing | 1.48Å | 1.46Å | |
| C18 | C19 | sing | 1.54Å | 1.50Å | |
| C19 | C20 | sing | 1.55Å | 1.50Å | |
| N17 | C21 | sing | 1.48Å | 1.44Å | |
| C20 | C21 | sing | 1.55Å | 1.51Å | |
| C02 | C22 | sing | 1.51Å | 1.49Å | |
| C04 | C23 | sing | 1.51Å | 1.54Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C25 | N26 | sing | 1.33Å | 1.36Å | Aromatic |
| N26 | C27 | doub | 1.32Å | 1.34Å | Aromatic |
| C27 | N28 | sing | 1.35Å | 1.36Å | Aromatic |
| C25 | N29 | doub | 1.31Å | 1.36Å | Aromatic |
| N28 | N29 | sing | 1.40Å | 1.36Å | Aromatic |
| C27 | N30 | sing | 1.38Å | 1.52Å | |
| N30 | C31 | sing | 1.48Å | 1.45Å | |
| C31 | C32 | sing | 1.54Å | 1.51Å | |
| C32 | C33 | sing | 1.55Å | 1.51Å | |
| N30 | C34 | sing | 1.48Å | 1.48Å | |
| C33 | C34 | sing | 1.55Å | 1.51Å | |
| N28 | C35 | sing | 1.46Å | 1.46Å | |
| N15 | C36 | sing | 1.47Å | 1.44Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C18 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C03 | H20 | sing | 1.08Å | 1.08Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| C31 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.09Å | 1.10Å | |
| C33 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| C34 | H28 | sing | 1.09Å | 1.10Å | |
| C35 | H29 | sing | 1.09Å | 1.10Å | |
| C35 | H30 | sing | 1.09Å | 1.10Å | |
| C35 | H31 | sing | 1.09Å | 1.10Å | |
| C36 | H32 | sing | 1.09Å | 1.10Å | |
| C36 | H33 | sing | 1.09Å | 1.10Å | |
| C36 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | C03 | 121.9° | 120.4° |
| C02 | N01 | C04 | 119.8° | 121.9° |
| N01 | C02 | C22 | 119.0° | 119.7° |
| C02 | C03 | C06 | 117.7° | 118.4° |
| C03 | C02 | C22 | 119.1° | 119.8° |
| C02 | C03 | H20 | 121.2° | 120.7° |
| N01 | C04 | N05 | 118.4° | 121.1° |
| N01 | C04 | C23 | 120.7° | 119.4° |
| C04 | N05 | C06 | 122.4° | 119.7° |
| C04 | N05 | N09 | 130.3° | 134.2° |
| N05 | C04 | C23 | 120.9° | 119.5° |
| C03 | C06 | N05 | 119.9° | 118.5° |
| C03 | C06 | N07 | 131.8° | 134.1° |
| C06 | C03 | H20 | 121.1° | 120.8° |
| N05 | C06 | N07 | 108.3° | 107.4° |
| C06 | N05 | N09 | 107.3° | 106.1° |
| C06 | N07 | C08 | 107.4° | 109.7° |
| N07 | C08 | N09 | 108.2° | 109.7° |
| N07 | C08 | C10 | 128.4° | 125.2° |
| N05 | N09 | C08 | 108.8° | 107.1° |
| N09 | C08 | C10 | 123.4° | 125.2° |
| C08 | C10 | C11 | 106.7° | 109.4° |
| C08 | C10 | H1 | 110.1° | 109.5° |
| C08 | C10 | H2 | 110.2° | 109.4° |
| C10 | C11 | C12 | 110.6° | 109.5° |
| C11 | C10 | H1 | 110.2° | 109.5° |
| C11 | C10 | H2 | 110.2° | 109.5° |
| C10 | C11 | H3 | 109.2° | 109.5° |
| C10 | C11 | H4 | 109.2° | 109.5° |
| C11 | C12 | N13 | 124.8° | 125.5° |
| C11 | C12 | N16 | 126.5° | 125.5° |
| C12 | C11 | H3 | 109.2° | 109.5° |
| C12 | C11 | H4 | 109.2° | 109.4° |
| C12 | N13 | C14 | 108.1° | 109.7° |
| N13 | C12 | N16 | 108.7° | 109.1° |
| N13 | C14 | N15 | 107.2° | 107.9° |
| N13 | C14 | N17 | 124.3° | 126.1° |
| C14 | N15 | N16 | 109.0° | 106.4° |
| N15 | C14 | N17 | 128.5° | 126.1° |
| C14 | N15 | C36 | 126.7° | 126.8° |
| C12 | N16 | N15 | 107.0° | 107.0° |
| N16 | N15 | C36 | 124.3° | 126.8° |
| C14 | N17 | C18 | 129.1° | 111.0° |
| C14 | N17 | C21 | 122.2° | 111.0° |
| N17 | C18 | C19 | 108.0° | 107.1° |
| C18 | N17 | C21 | 106.7° | 105.8° |
| N17 | C18 | H5 | 109.8° | 109.9° |
| N17 | C18 | H6 | 109.8° | 110.1° |
| C18 | C19 | C20 | 106.2° | 105.1° |
| C19 | C18 | H5 | 109.8° | 109.9° |
| C19 | C18 | H6 | 109.8° | 109.9° |
| C18 | C19 | H7 | 110.3° | 110.3° |
| C18 | C19 | H8 | 110.3° | 110.3° |
| C19 | C20 | C21 | 104.5° | 102.9° |
| C20 | C19 | H7 | 110.3° | 110.3° |
| C20 | C19 | H8 | 110.3° | 110.3° |
| C19 | C20 | H9 | 110.7° | 110.7° |
| C19 | C20 | H10 | 110.7° | 110.7° |
| N17 | C21 | C20 | 107.5° | 103.3° |
| N17 | C21 | H11 | 110.0° | 110.7° |
| N17 | C21 | H12 | 110.0° | 110.8° |
| C21 | C20 | H9 | 110.7° | 110.7° |
| C21 | C20 | H10 | 110.7° | 110.7° |
| C20 | C21 | H11 | 110.0° | 110.7° |
| C20 | C21 | H12 | 110.0° | 110.7° |
| C02 | C22 | H13 | 109.5° | 109.5° |
| C02 | C22 | H14 | 109.5° | 109.5° |
| C02 | C22 | H15 | 109.5° | 109.5° |
| C04 | C23 | C24 | 106.0° | 109.5° |
| C04 | C23 | H16 | 110.3° | 109.5° |
| C04 | C23 | H17 | 110.3° | 109.4° |
| C23 | C24 | C25 | 113.3° | 109.5° |
| C24 | C23 | H16 | 110.3° | 109.5° |
| C24 | C23 | H17 | 110.3° | 109.5° |
| C23 | C24 | H18 | 108.5° | 109.5° |
| C23 | C24 | H19 | 108.5° | 109.5° |
| C24 | C25 | N26 | 125.1° | 125.5° |
| C24 | C25 | N29 | 125.5° | 125.4° |
| C25 | C24 | H18 | 108.5° | 109.4° |
| C25 | C24 | H19 | 108.5° | 109.5° |
| C25 | N26 | C27 | 106.3° | 109.7° |
| N26 | C25 | N29 | 109.3° | 109.1° |
| N26 | C27 | N28 | 110.5° | 107.8° |
| N26 | C27 | N30 | 123.7° | 126.1° |
| C27 | N28 | N29 | 106.8° | 106.3° |
| N28 | C27 | N30 | 125.5° | 126.1° |
| C27 | N28 | C35 | 126.6° | 126.8° |
| C25 | N29 | N28 | 107.0° | 107.0° |
| N29 | N28 | C35 | 126.5° | 126.8° |
| C27 | N30 | C31 | 119.2° | 111.0° |
| C27 | N30 | C34 | 115.3° | 111.0° |
| N30 | C31 | C32 | 99.1° | 107.1° |
| C31 | N30 | C34 | 106.1° | 105.8° |
| N30 | C31 | H21 | 112.0° | 109.9° |
| N30 | C31 | H22 | 112.0° | 109.9° |
| C31 | C32 | C33 | 107.7° | 105.1° |
| C32 | C31 | H21 | 112.0° | 109.9° |
| C32 | C31 | H22 | 112.0° | 110.0° |
| C31 | C32 | H23 | 109.9° | 110.3° |
| C31 | C32 | H24 | 109.9° | 110.3° |
| C32 | C33 | C34 | 104.0° | 102.9° |
| C33 | C32 | H23 | 109.9° | 110.3° |
| C33 | C32 | H24 | 109.9° | 110.3° |
| C32 | C33 | H25 | 110.8° | 110.7° |
| C32 | C33 | H26 | 110.8° | 110.7° |
| N30 | C34 | C33 | 99.8° | 103.2° |
| N30 | C34 | H27 | 111.9° | 110.7° |
| N30 | C34 | H28 | 111.8° | 110.7° |
| C34 | C33 | H25 | 110.8° | 110.7° |
| C34 | C33 | H26 | 110.8° | 110.7° |
| C33 | C34 | H27 | 111.8° | 110.7° |
| C33 | C34 | H28 | 111.9° | 110.6° |
| N28 | C35 | H29 | 109.5° | 109.5° |
| N28 | C35 | H30 | 109.5° | 109.5° |
| N28 | C35 | H31 | 109.4° | 109.5° |
| N15 | C36 | H32 | 109.5° | 109.5° |
| N15 | C36 | H33 | 109.5° | 109.4° |
| N15 | C36 | H34 | 109.5° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C11 | H4 | 109.4° | 109.5° |
| H5 | C18 | H6 | 109.4° | 109.8° |
| H7 | C19 | H8 | 109.4° | 110.3° |
| H9 | C20 | H10 | 109.5° | 110.8° |
| H11 | C21 | H12 | 109.4° | 110.6° |
| H13 | C22 | H14 | 109.5° | 109.5° |
| H13 | C22 | H15 | 109.5° | 109.4° |
| H14 | C22 | H15 | 109.5° | 109.4° |
| H16 | C23 | H17 | 109.5° | 109.5° |
| H18 | C24 | H19 | 109.5° | 109.5° |
| H21 | C31 | H22 | 109.5° | 110.0° |
| H23 | C32 | H24 | 109.5° | 110.4° |
| H25 | C33 | H26 | 109.5° | 110.8° |
| H27 | C34 | H28 | 109.5° | 110.7° |
| H29 | C35 | H30 | 109.4° | 109.5° |
| H29 | C35 | H31 | 109.5° | 109.4° |
| H30 | C35 | H31 | 109.5° | 109.5° |
| H32 | C36 | H33 | 109.5° | 109.5° |
| H32 | C36 | H34 | 109.5° | 109.5° |
| H33 | C36 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | C03 | C22 | 179.8° | 179.7° |
| C02 | N01 | C04 | N05 | 0.7° | 0.0° |
| N01 | C02 | C03 | C06 | 0.3° | 0.2° |
| C02 | N01 | C04 | C23 | 179.9° | 179.7° |
| N01 | C02 | C22 | H13 | 0.0° | 89.8° |
| N01 | C02 | C22 | H14 | 120.0° | 30.3° |
| N01 | C02 | C22 | H15 | 120.0° | 150.2° |
| N01 | C02 | C03 | H20 | 179.7° | 179.8° |
| C03 | C02 | N01 | C04 | 0.4° | 0.0° |
| C02 | C03 | C06 | H20 | 180.0° | 180.0° |
| C02 | C03 | C06 | N05 | 0.7° | 0.5° |
| C02 | C03 | C06 | N07 | 179.6° | 180.0° |
| C03 | C02 | C22 | H13 | 179.8° | 89.9° |
| C03 | C02 | C22 | H14 | 59.8° | 150.0° |
| C03 | C02 | C22 | H15 | 60.2° | 30.0° |
| N01 | C04 | N05 | C23 | 179.2° | 179.7° |
| N01 | C04 | N05 | C06 | 1.1° | 0.3° |
| N01 | C04 | N05 | N09 | 179.2° | 179.7° |
| C04 | N01 | C02 | C22 | 179.8° | 179.7° |
| N01 | C04 | C23 | C24 | 88.5° | 0.3° |
| N01 | C04 | C23 | H16 | 31.0° | 119.7° |
| N01 | C04 | C23 | H17 | 152.0° | 120.3° |
| C04 | N05 | C06 | C03 | 1.1° | 0.6° |
| C04 | N05 | C06 | N09 | 179.7° | 180.0° |
| C04 | N05 | C06 | N07 | 179.8° | 179.8° |
| C04 | N05 | N09 | C08 | 179.4° | 179.3° |
| N05 | C04 | C23 | C24 | 90.6° | 180.0° |
| N05 | C04 | C23 | H16 | 149.9° | 60.0° |
| N05 | C04 | C23 | H17 | 28.8° | 60.0° |
| C03 | C06 | N05 | N07 | 179.2° | 179.6° |
| C03 | C06 | N07 | C08 | 179.4° | 180.0° |
| C03 | C06 | N05 | N09 | 179.2° | 179.4° |
| C06 | C03 | C02 | C22 | 179.9° | 180.0° |
| N05 | C06 | N07 | C08 | 0.4° | 0.5° |
| C06 | N05 | N09 | C08 | 0.4° | 0.7° |
| C06 | N05 | C04 | C23 | 179.8° | 180.0° |
| N05 | C06 | C03 | H20 | 179.3° | 179.5° |
| N07 | C06 | N05 | N09 | 0.0° | 0.1° |
| C06 | N07 | C08 | N09 | 0.6° | 1.0° |
| C06 | N07 | C08 | C10 | 179.7° | 179.9° |
| N07 | C06 | C03 | H20 | 0.4° | 0.0° |
| N07 | C08 | N09 | N05 | 0.6° | 1.0° |
| N07 | C08 | N09 | C10 | 179.7° | 179.0° |
| N07 | C08 | C10 | C11 | 178.9° | 90.0° |
| N07 | C08 | C10 | H1 | 61.5° | 29.9° |
| N07 | C08 | C10 | H2 | 59.4° | 150.0° |
| N05 | N09 | C08 | C10 | 179.7° | 180.0° |
| N09 | N05 | C04 | C23 | 0.1° | 0.0° |
| N09 | C08 | C10 | C11 | 0.7° | 91.1° |
| N09 | C08 | C10 | H1 | 118.9° | 148.9° |
| N09 | C08 | C10 | H2 | 120.3° | 28.8° |
| C08 | C10 | C11 | H1 | 119.6° | 120.0° |
| C08 | C10 | C11 | H2 | 119.6° | 119.9° |
| C08 | C10 | C11 | C12 | 144.6° | 180.0° |
| C08 | C10 | H1 | H2 | 121.3° | 120.0° |
| C08 | C10 | C11 | H3 | 24.4° | 60.0° |
| C08 | C10 | C11 | H4 | 95.2° | 60.0° |
| C10 | C11 | C12 | H3 | 120.2° | 120.0° |
| C10 | C11 | C12 | H4 | 120.2° | 120.0° |
| C10 | C11 | C12 | N13 | 77.6° | 90.0° |
| C10 | C11 | C12 | N16 | 102.5° | 90.3° |
| C11 | C10 | H1 | H2 | 121.3° | 120.0° |
| C10 | C11 | H3 | H4 | 119.5° | 120.0° |
| C11 | C12 | N13 | N16 | 179.9° | 179.8° |
| C11 | C12 | N13 | C14 | 180.0° | 180.0° |
| C11 | C12 | N16 | N15 | 180.0° | 179.9° |
| C12 | C11 | C10 | H1 | 95.9° | 60.0° |
| C12 | C11 | C10 | H2 | 25.0° | 60.0° |
| C12 | C11 | H3 | H4 | 119.5° | 120.0° |
| C12 | N13 | C14 | N15 | 0.0° | 0.1° |
| N13 | C12 | N16 | N15 | 0.1° | 0.4° |
| C12 | N13 | C14 | N17 | 179.8° | 180.0° |
| N13 | C12 | C11 | H3 | 162.2° | 30.1° |
| N13 | C12 | C11 | H4 | 42.6° | 150.1° |
| N13 | C14 | N15 | N17 | 179.8° | 179.9° |
| C14 | N13 | C12 | N16 | 0.1° | 0.2° |
| N13 | C14 | N15 | N16 | 0.1° | 0.3° |
| N13 | C14 | N17 | C18 | 16.6° | 0.1° |
| N13 | C14 | N17 | C21 | 145.1° | 117.3° |
| N13 | C14 | N15 | C36 | 180.0° | 180.0° |
| C14 | N15 | N16 | C12 | 0.1° | 0.4° |
| C14 | N15 | N16 | C36 | 179.9° | 179.8° |
| N15 | C14 | N17 | C18 | 163.2° | 180.0° |
| N15 | C14 | N17 | C21 | 35.2° | 62.6° |
| C14 | N15 | C36 | H32 | 179.9° | 90.0° |
| C14 | N15 | C36 | H33 | 59.9° | 150.0° |
| C14 | N15 | C36 | H34 | 60.2° | 30.0° |
| C12 | N16 | N15 | C36 | 180.0° | 179.8° |
| N16 | C12 | C11 | H3 | 17.7° | 149.7° |
| N16 | C12 | C11 | H4 | 137.3° | 29.7° |
| N16 | N15 | C14 | N17 | 179.9° | 179.8° |
| N16 | N15 | C36 | H32 | 0.0° | 89.7° |
| N16 | N15 | C36 | H33 | 120.0° | 30.3° |
| N16 | N15 | C36 | H34 | 120.0° | 150.3° |
| C14 | N17 | C18 | C21 | 163.9° | 120.5° |
| C14 | N17 | C18 | C19 | 146.1° | 145.9° |
| C14 | N17 | C21 | C20 | 138.4° | 159.7° |
| N17 | C14 | N15 | C36 | 0.2° | 0.1° |
| C14 | N17 | C18 | H5 | 26.3° | 94.7° |
| C14 | N17 | C18 | H6 | 94.1° | 26.4° |
| C14 | N17 | C21 | H11 | 101.9° | 41.3° |
| C14 | N17 | C21 | H12 | 18.7° | 81.7° |
| N17 | C18 | C19 | H5 | 119.8° | 119.4° |
| N17 | C18 | C19 | H6 | 119.8° | 119.6° |
| N17 | C18 | C19 | C20 | 1.8° | 1.2° |
| C18 | N17 | C21 | C20 | 26.9° | 39.2° |
| N17 | C18 | H5 | H6 | 120.6° | 121.3° |
| N17 | C18 | C19 | H7 | 117.7° | 120.2° |
| N17 | C18 | C19 | H8 | 121.3° | 117.7° |
| C18 | N17 | C21 | H11 | 92.8° | 79.3° |
| C18 | N17 | C21 | H12 | 146.6° | 157.7° |
| C18 | C19 | C20 | H7 | 119.5° | 118.9° |
| C18 | C19 | C20 | H8 | 119.5° | 119.0° |
| C19 | C18 | N17 | C21 | 17.8° | 25.3° |
| C18 | C19 | C20 | C21 | 13.9° | 21.9° |
| C19 | C18 | H5 | H6 | 120.6° | 121.1° |
| C18 | C19 | H7 | H8 | 121.5° | 122.1° |
| C18 | C19 | C20 | H9 | 105.3° | 140.3° |
| C18 | C19 | C20 | H10 | 133.1° | 96.4° |
| C19 | C20 | C21 | N17 | 25.3° | 37.4° |
| C19 | C20 | C21 | H9 | 119.2° | 118.4° |
| C19 | C20 | C21 | H10 | 119.2° | 118.3° |
| C20 | C19 | C18 | H5 | 121.6° | 120.6° |
| C20 | C19 | C18 | H6 | 118.0° | 118.4° |
| C20 | C19 | H7 | H8 | 121.5° | 122.1° |
| C19 | C20 | H9 | H10 | 122.3° | 123.2° |
| C19 | C20 | C21 | H11 | 94.4° | 81.0° |
| C19 | C20 | C21 | H12 | 145.0° | 156.0° |
| N17 | C21 | C20 | H11 | 119.7° | 118.4° |
| N17 | C21 | C20 | H12 | 119.7° | 118.6° |
| C21 | N17 | C18 | H5 | 137.6° | 144.7° |
| C21 | N17 | C18 | H6 | 102.0° | 94.1° |
| N17 | C21 | C20 | H9 | 93.9° | 155.8° |
| N17 | C21 | C20 | H10 | 144.6° | 80.9° |
| N17 | C21 | H11 | H12 | 120.9° | 123.1° |
| C21 | C20 | C19 | H7 | 133.4° | 97.0° |
| C21 | C20 | C19 | H8 | 105.6° | 140.9° |
| C21 | C20 | H9 | H10 | 122.3° | 123.3° |
| C20 | C21 | H11 | H12 | 120.9° | 123.0° |
| C02 | C22 | H13 | H14 | 120.0° | 120.1° |
| C02 | C22 | H13 | H15 | 120.0° | 120.0° |
| C02 | C22 | H14 | H15 | 120.0° | 120.0° |
| C22 | C02 | C03 | H20 | 0.1° | 0.0° |
| C04 | C23 | C24 | H16 | 119.5° | 120.0° |
| C04 | C23 | C24 | H17 | 119.5° | 119.9° |
| C04 | C23 | C24 | C25 | 177.8° | 180.0° |
| C04 | C23 | H16 | H17 | 121.6° | 120.0° |
| C04 | C23 | C24 | H18 | 57.2° | 60.0° |
| C04 | C23 | C24 | H19 | 61.7° | 60.1° |
| C23 | C24 | C25 | H18 | 120.6° | 120.0° |
| C23 | C24 | C25 | H19 | 120.6° | 120.0° |
| C23 | C24 | C25 | N26 | 55.1° | 90.0° |
| C23 | C24 | C25 | N29 | 125.2° | 90.3° |
| C24 | C23 | H16 | H17 | 121.6° | 120.0° |
| C23 | C24 | H18 | H19 | 118.3° | 120.1° |
| C24 | C25 | N26 | N29 | 179.7° | 179.8° |
| C24 | C25 | N26 | C27 | 179.5° | 180.0° |
| C24 | C25 | N29 | N28 | 180.0° | 180.0° |
| C25 | C24 | C23 | H16 | 62.8° | 60.0° |
| C25 | C24 | C23 | H17 | 58.3° | 60.0° |
| C25 | C24 | H18 | H19 | 118.2° | 119.9° |
| C25 | N26 | C27 | N28 | 1.0° | 0.1° |
| N26 | C25 | N29 | N28 | 0.2° | 0.3° |
| C25 | N26 | C27 | N30 | 175.5° | 179.8° |
| N26 | C25 | C24 | H18 | 175.6° | 30.0° |
| N26 | C25 | C24 | H19 | 65.5° | 150.0° |
| N26 | C27 | N28 | N30 | 174.4° | 180.0° |
| C27 | N26 | C25 | N29 | 0.8° | 0.2° |
| N26 | C27 | N28 | N29 | 0.9° | 0.0° |
| N26 | C27 | N30 | C31 | 153.4° | 0.1° |
| N26 | C27 | N30 | C34 | 25.5° | 117.4° |
| N26 | C27 | N28 | C35 | 179.6° | 179.9° |
| C27 | N28 | N29 | C25 | 0.4° | 0.2° |
| C27 | N28 | N29 | C35 | 179.5° | 180.0° |
| N28 | C27 | N30 | C31 | 32.9° | 180.0° |
| N28 | C27 | N30 | C34 | 160.9° | 62.6° |
| C27 | N28 | C35 | H29 | 179.4° | 89.9° |
| C27 | N28 | C35 | H30 | 60.6° | 150.0° |
| C27 | N28 | C35 | H31 | 59.4° | 30.0° |
| C25 | N29 | N28 | C35 | 179.9° | 179.8° |
| N29 | C25 | C24 | H18 | 4.7° | 149.7° |
| N29 | C25 | C24 | H19 | 114.2° | 29.7° |
| N29 | N28 | C27 | N30 | 175.3° | 180.0° |
| N29 | N28 | C35 | H29 | 0.0° | 90.1° |
| N29 | N28 | C35 | H30 | 120.0° | 30.0° |
| N29 | N28 | C35 | H31 | 120.0° | 150.0° |
| C27 | N30 | C31 | C34 | 132.1° | 120.5° |
| C27 | N30 | C31 | C32 | 178.2° | 145.9° |
| C27 | N30 | C34 | C33 | 177.8° | 159.7° |
| N30 | C27 | N28 | C35 | 5.2° | 0.0° |
| C27 | N30 | C31 | H21 | 60.0° | 26.5° |
| C27 | N30 | C31 | H22 | 63.5° | 94.8° |
| C27 | N30 | C34 | H27 | 59.4° | 81.8° |
| C27 | N30 | C34 | H28 | 63.8° | 41.3° |
| N30 | C31 | C32 | H21 | 118.3° | 119.3° |
| N30 | C31 | C32 | H22 | 118.3° | 119.4° |
| N30 | C31 | C32 | C33 | 26.0° | 1.2° |
| C31 | N30 | C34 | C33 | 48.0° | 39.2° |
| N30 | C31 | H21 | H22 | 124.9° | 121.2° |
| N30 | C31 | C32 | H23 | 145.7° | 120.1° |
| N30 | C31 | C32 | H24 | 93.7° | 117.7° |
| C31 | N30 | C34 | H27 | 166.4° | 157.6° |
| C31 | N30 | C34 | H28 | 70.4° | 79.2° |
| C31 | C32 | C33 | H23 | 119.7° | 118.9° |
| C31 | C32 | C33 | H24 | 119.7° | 118.9° |
| C32 | C31 | N30 | C34 | 46.1° | 25.3° |
| C31 | C32 | C33 | C34 | 1.8° | 21.9° |
| C32 | C31 | H21 | H22 | 124.9° | 121.2° |
| C31 | C32 | H23 | H24 | 120.8° | 122.1° |
| C31 | C32 | C33 | H25 | 120.9° | 140.3° |
| C31 | C32 | C33 | H26 | 117.3° | 96.4° |
| C32 | C33 | C34 | N30 | 28.4° | 37.4° |
| C32 | C33 | C34 | H25 | 119.1° | 118.4° |
| C32 | C33 | C34 | H26 | 119.1° | 118.4° |
| C33 | C32 | C31 | H21 | 92.2° | 118.1° |
| C33 | C32 | C31 | H22 | 144.3° | 120.6° |
| C33 | C32 | H23 | H24 | 120.8° | 122.2° |
| C32 | C33 | H25 | H26 | 122.5° | 123.3° |
| C32 | C33 | C34 | H27 | 146.8° | 155.9° |
| C32 | C33 | C34 | H28 | 90.0° | 81.0° |
| N30 | C34 | C33 | H27 | 118.4° | 118.5° |
| N30 | C34 | C33 | H28 | 118.4° | 118.4° |
| C34 | N30 | C31 | H21 | 72.1° | 94.0° |
| C34 | N30 | C31 | H22 | 164.4° | 144.7° |
| N30 | C34 | C33 | H25 | 147.5° | 155.8° |
| N30 | C34 | C33 | H26 | 90.8° | 81.0° |
| N30 | C34 | H27 | H28 | 124.5° | 123.2° |
| C34 | C33 | C32 | H23 | 117.9° | 97.0° |
| C34 | C33 | C32 | H24 | 121.5° | 140.8° |
| C34 | C33 | H25 | H26 | 122.5° | 123.2° |
| C33 | C34 | H27 | H28 | 124.5° | 123.0° |
| N28 | C35 | H29 | H30 | 120.0° | 120.0° |
| N28 | C35 | H29 | H31 | 120.0° | 120.0° |
| N28 | C35 | H30 | H31 | 120.0° | 120.0° |
| N15 | C36 | H32 | H33 | 120.0° | 120.0° |
| N15 | C36 | H32 | H34 | 120.0° | 120.0° |
| N15 | C36 | H33 | H34 | 120.0° | 120.0° |
| H1 | C10 | C11 | H3 | 143.9° | 60.0° |
| H1 | C10 | C11 | H4 | 24.3° | 180.0° |
| H2 | C10 | C11 | H3 | 95.2° | 179.9° |
| H2 | C10 | C11 | H4 | 145.2° | 59.9° |
| H5 | C18 | C19 | H7 | 2.1° | 120.5° |
| H5 | C18 | C19 | H8 | 118.9° | 1.7° |
| H6 | C18 | C19 | H7 | 122.5° | 0.6° |
| H6 | C18 | C19 | H8 | 1.6° | 122.7° |
| H7 | C19 | C20 | H9 | 14.2° | 21.4° |
| H7 | C19 | C20 | H10 | 107.4° | 144.7° |
| H8 | C19 | C20 | H9 | 135.2° | 100.7° |
| H8 | C19 | C20 | H10 | 13.6° | 22.6° |
| H9 | C20 | C21 | H11 | 146.4° | 37.3° |
| H9 | C20 | C21 | H12 | 25.8° | 85.6° |
| H10 | C20 | C21 | H11 | 24.9° | 160.6° |
| H10 | C20 | C21 | H12 | 95.7° | 37.7° |
| H13 | C22 | H14 | H15 | 120.0° | 119.9° |
| H16 | C23 | C24 | H18 | 176.7° | 180.0° |
| H16 | C23 | C24 | H19 | 57.8° | 60.0° |
| H17 | C23 | C24 | H18 | 62.2° | 59.9° |
| H17 | C23 | C24 | H19 | 178.9° | 180.0° |
| H21 | C31 | C32 | H23 | 27.5° | 0.8° |
| H21 | C31 | C32 | H24 | 148.0° | 122.9° |
| H22 | C31 | C32 | H23 | 96.0° | 120.5° |
| H22 | C31 | C32 | H24 | 24.6° | 1.7° |
| H23 | C32 | C33 | H25 | 1.2° | 21.4° |
| H23 | C32 | C33 | H26 | 122.9° | 144.7° |
| H24 | C32 | C33 | H25 | 119.3° | 100.8° |
| H24 | C32 | C33 | H26 | 2.4° | 22.5° |
| H25 | C33 | C34 | H27 | 94.1° | 85.7° |
| H25 | C33 | C34 | H28 | 29.1° | 37.4° |
| H26 | C33 | C34 | H27 | 27.7° | 37.5° |
| H26 | C33 | C34 | H28 | 150.9° | 160.6° |
| H29 | C35 | H30 | H31 | 120.0° | 120.0° |
| H32 | C36 | H33 | H34 | 120.0° | 120.0° |
