P2J
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C4 | N5 | doub | 1.32Å | 1.33Å | Aromatic |
C4 | N3 | sing | 1.32Å | 1.32Å | Aromatic |
N5 | C6 | sing | 1.33Å | 1.33Å | Aromatic |
N3 | C2 | doub | 1.33Å | 1.36Å | Aromatic |
C6 | N17 | sing | 1.38Å | 1.47Å | |
C6 | C1 | doub | 1.40Å | 1.40Å | Aromatic |
O23 | C14 | sing | 1.43Å | 1.36Å | |
C2 | C1 | sing | 1.41Å | 1.39Å | Aromatic |
C2 | N9 | sing | 1.37Å | 1.38Å | Aromatic |
C14 | C13 | sing | 1.55Å | 1.54Å | |
C14 | C10 | sing | 1.55Å | 1.53Å | |
C1 | N7 | sing | 1.35Å | 1.35Å | Aromatic |
O77 | C75 | doub | 1.21Å | 1.26Å | |
C13 | O22 | sing | 1.43Å | 1.51Å | |
C13 | C12 | sing | 1.54Å | 1.29Å | |
N9 | C10 | sing | 1.46Å | 1.53Å | |
N9 | C8 | sing | 1.36Å | 1.33Å | Aromatic |
C10 | O11 | sing | 1.44Å | 1.28Å | |
N7 | C8 | doub | 1.30Å | 1.33Å | Aromatic |
C75 | C20 | sing | 1.51Å | 1.52Å | |
C75 | O76 | sing | 1.34Å | 1.26Å | |
N21 | C20 | sing | 1.47Å | 1.45Å | |
C15 | C12 | sing | 1.53Å | 1.55Å | |
C15 | N16 | sing | 1.47Å | 1.53Å | |
C12 | O11 | sing | 1.44Å | 1.64Å | |
C20 | C19 | sing | 1.53Å | 1.55Å | |
N16 | C18 | sing | 1.47Å | 1.50Å | |
N16 | C24 | sing | 1.47Å | 1.53Å | |
C19 | C18 | sing | 1.53Å | 1.56Å | |
C24 | C25 | sing | 1.53Å | 1.62Å | |
C25 | C26 | sing | 1.53Å | 1.63Å | |
C27 | C26 | sing | 1.53Å | 1.62Å | |
C27 | C28 | sing | 1.53Å | 1.62Å | |
C4 | H1 | sing | 1.08Å | 1.08Å | |
C8 | H2 | sing | 1.08Å | 1.08Å | |
C10 | H3 | sing | 1.09Å | 1.10Å | |
C12 | H4 | sing | 1.09Å | 1.10Å | |
C13 | H5 | sing | 1.09Å | 1.10Å | |
C14 | H6 | sing | 1.09Å | 1.10Å | |
C15 | H7 | sing | 1.09Å | 1.10Å | |
C15 | H8 | sing | 1.09Å | 1.10Å | |
C18 | H9 | sing | 1.09Å | 1.10Å | |
C18 | H10 | sing | 1.09Å | 1.10Å | |
C19 | H11 | sing | 1.09Å | 1.10Å | |
C19 | H12 | sing | 1.09Å | 1.10Å | |
C20 | H13 | sing | 1.09Å | 1.10Å | |
C24 | H14 | sing | 1.09Å | 1.10Å | |
C24 | H15 | sing | 1.09Å | 1.10Å | |
C25 | H16 | sing | 1.09Å | 1.10Å | |
C25 | H17 | sing | 1.09Å | 1.10Å | |
C26 | H18 | sing | 1.09Å | 1.10Å | |
C26 | H19 | sing | 1.09Å | 1.10Å | |
C27 | H20 | sing | 1.09Å | 1.10Å | |
C27 | H21 | sing | 1.09Å | 1.10Å | |
C28 | H22 | sing | 1.09Å | 1.10Å | |
C28 | H23 | sing | 1.09Å | 1.10Å | |
C28 | H24 | sing | 1.09Å | 1.10Å | |
N17 | H26 | sing | 0.97Å | 1.00Å | |
N17 | H27 | sing | 0.97Å | 1.00Å | |
N21 | H28 | sing | 1.01Å | 1.00Å | |
N21 | H29 | sing | 1.01Å | 1.00Å | |
O22 | H31 | sing | 0.97Å | 0.95Å | |
O23 | H32 | sing | 0.97Å | 0.95Å | |
O76 | H33 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
N5 | C4 | N3 | 119.4° | 122.4° |
C4 | N5 | C6 | 121.5° | 121.2° |
N5 | C4 | H1 | 120.3° | 118.8° |
C4 | N3 | C2 | 123.5° | 120.7° |
N3 | C4 | H1 | 120.3° | 118.8° |
N5 | C6 | N17 | 120.4° | 120.8° |
N5 | C6 | C1 | 120.1° | 118.4° |
N3 | C2 | C1 | 117.6° | 119.1° |
N3 | C2 | N9 | 136.0° | 134.9° |
N17 | C6 | C1 | 119.5° | 120.8° |
C6 | N17 | H26 | 109.5° | 120.0° |
C6 | N17 | H27 | 109.5° | 120.0° |
C6 | C1 | C2 | 117.9° | 118.2° |
C6 | C1 | N7 | 135.1° | 134.7° |
O23 | C14 | C13 | 110.2° | 110.9° |
O23 | C14 | C10 | 110.3° | 110.9° |
O23 | C14 | H6 | 113.6° | 110.9° |
C14 | O23 | H32 | 109.5° | 114.0° |
C1 | C2 | N9 | 106.3° | 106.0° |
C2 | C1 | N7 | 107.0° | 107.2° |
C2 | N9 | C10 | 130.4° | 126.3° |
C2 | N9 | C8 | 108.2° | 107.4° |
C13 | C14 | C10 | 100.5° | 102.1° |
C14 | C13 | O22 | 109.6° | 110.5° |
C14 | C13 | C12 | 105.3° | 104.2° |
C14 | C13 | H5 | 108.9° | 110.6° |
C13 | C14 | H6 | 110.7° | 110.9° |
C14 | C10 | N9 | 116.2° | 110.8° |
C14 | C10 | O11 | 100.8° | 103.4° |
C14 | C10 | H3 | 107.1° | 110.6° |
C10 | C14 | H6 | 110.8° | 110.9° |
C1 | N7 | C8 | 109.2° | 109.4° |
O77 | C75 | C20 | 119.6° | 120.0° |
O77 | C75 | O76 | 120.1° | 120.0° |
O22 | C13 | C12 | 110.9° | 110.5° |
O22 | C13 | H5 | 109.3° | 110.4° |
C13 | O22 | H31 | 109.5° | 114.0° |
C13 | C12 | C15 | 108.5° | 110.0° |
C13 | C12 | O11 | 106.4° | 107.3° |
C13 | C12 | H4 | 113.4° | 109.9° |
C12 | C13 | H5 | 112.7° | 110.5° |
C10 | N9 | C8 | 121.4° | 126.3° |
N9 | C10 | O11 | 114.8° | 110.6° |
N9 | C10 | H3 | 107.2° | 110.6° |
N9 | C8 | N7 | 109.3° | 110.0° |
N9 | C8 | H2 | 125.4° | 125.0° |
C10 | O11 | C12 | 104.0° | 107.0° |
O11 | C10 | H3 | 110.5° | 110.6° |
N7 | C8 | H2 | 125.4° | 125.0° |
C20 | C75 | O76 | 120.3° | 120.0° |
C75 | C20 | N21 | 110.0° | 109.5° |
C75 | C20 | C19 | 110.5° | 109.5° |
C75 | C20 | H13 | 108.6° | 109.5° |
C75 | O76 | H33 | 109.5° | 117.0° |
N21 | C20 | C19 | 110.0° | 109.4° |
N21 | C20 | H13 | 109.6° | 109.4° |
C20 | N21 | H28 | 109.5° | 110.9° |
C20 | N21 | H29 | 109.4° | 111.0° |
C12 | C15 | N16 | 115.2° | 109.5° |
C15 | C12 | O11 | 111.1° | 109.8° |
C15 | C12 | H4 | 109.3° | 109.8° |
C12 | C15 | H7 | 108.0° | 109.5° |
C12 | C15 | H8 | 108.0° | 109.5° |
C15 | N16 | C18 | 115.7° | 111.0° |
C15 | N16 | C24 | 114.0° | 111.0° |
N16 | C15 | H7 | 108.0° | 109.5° |
N16 | C15 | H8 | 108.0° | 109.5° |
O11 | C12 | H4 | 108.2° | 109.9° |
C20 | C19 | C18 | 111.4° | 109.5° |
C20 | C19 | H11 | 109.0° | 109.4° |
C20 | C19 | H12 | 109.0° | 109.4° |
C19 | C20 | H13 | 108.2° | 109.5° |
C18 | N16 | C24 | 113.2° | 111.0° |
N16 | C18 | C19 | 108.6° | 109.5° |
N16 | C18 | H9 | 109.7° | 109.5° |
N16 | C18 | H10 | 109.7° | 109.5° |
N16 | C24 | C25 | 108.2° | 109.4° |
N16 | C24 | H14 | 109.8° | 109.4° |
N16 | C24 | H15 | 109.8° | 109.5° |
C19 | C18 | H9 | 109.7° | 109.5° |
C19 | C18 | H10 | 109.7° | 109.5° |
C18 | C19 | H11 | 109.0° | 109.5° |
C18 | C19 | H12 | 109.0° | 109.5° |
C24 | C25 | C26 | 111.9° | 109.5° |
C25 | C24 | H14 | 109.8° | 109.5° |
C25 | C24 | H15 | 109.8° | 109.5° |
C24 | C25 | H16 | 108.8° | 109.5° |
C24 | C25 | H17 | 108.8° | 109.5° |
C25 | C26 | C27 | 112.6° | 109.5° |
C26 | C25 | H16 | 108.9° | 109.4° |
C26 | C25 | H17 | 108.9° | 109.5° |
C25 | C26 | H18 | 108.7° | 109.4° |
C25 | C26 | H19 | 108.7° | 109.5° |
C26 | C27 | C28 | 110.6° | 109.5° |
C27 | C26 | H18 | 108.7° | 109.5° |
C27 | C26 | H19 | 108.7° | 109.5° |
C26 | C27 | H20 | 109.2° | 109.5° |
C26 | C27 | H21 | 109.2° | 109.4° |
C28 | C27 | H20 | 109.2° | 109.5° |
C28 | C27 | H21 | 109.2° | 109.5° |
C27 | C28 | H22 | 109.5° | 109.5° |
C27 | C28 | H23 | 109.5° | 109.5° |
C27 | C28 | H24 | 109.5° | 109.5° |
H7 | C15 | H8 | 109.5° | 109.5° |
H9 | C18 | H10 | 109.5° | 109.4° |
H11 | C19 | H12 | 109.5° | 109.5° |
H14 | C24 | H15 | 109.5° | 109.5° |
H16 | C25 | H17 | 109.5° | 109.5° |
H18 | C26 | H19 | 109.5° | 109.4° |
H20 | C27 | H21 | 109.5° | 109.5° |
H22 | C28 | H23 | 109.4° | 109.5° |
H22 | C28 | H24 | 109.5° | 109.5° |
H23 | C28 | H24 | 109.5° | 109.5° |
H26 | N17 | H27 | 109.5° | 120.0° |
H28 | N21 | H29 | 109.5° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
N5 | C4 | N3 | H1 | 180.0° | 179.8° |
N5 | C4 | N3 | C2 | 0.0° | 0.1° |
C4 | N5 | C6 | N17 | 179.9° | 180.0° |
C4 | N5 | C6 | C1 | 0.1° | 0.1° |
N3 | C4 | N5 | C6 | 0.1° | 0.1° |
C4 | N3 | C2 | C1 | 0.3° | 0.1° |
C4 | N3 | C2 | N9 | 179.4° | 180.0° |
N5 | C6 | N17 | C1 | 179.9° | 179.9° |
N5 | C6 | C1 | C2 | 0.3° | 0.0° |
N5 | C6 | C1 | N7 | 179.3° | 180.0° |
C6 | N5 | C4 | H1 | 179.9° | 179.7° |
N5 | C6 | N17 | H26 | 0.0° | 180.0° |
N5 | C6 | N17 | H27 | 120.0° | 0.1° |
N3 | C2 | C1 | C6 | 0.4° | 0.0° |
N3 | C2 | C1 | N9 | 179.7° | 180.0° |
N3 | C2 | C1 | N7 | 179.7° | 180.0° |
N3 | C2 | N9 | C10 | 1.4° | 0.0° |
N3 | C2 | N9 | C8 | 179.9° | 180.0° |
C2 | N3 | C4 | H1 | 180.0° | 179.7° |
N17 | C6 | C1 | C2 | 179.8° | 180.0° |
N17 | C6 | C1 | N7 | 0.8° | 0.1° |
C6 | N17 | H26 | H27 | 120.0° | 179.9° |
C6 | C1 | C2 | N7 | 179.3° | 180.0° |
C6 | C1 | C2 | N9 | 179.3° | 180.0° |
C6 | C1 | N7 | C8 | 179.6° | 180.0° |
C1 | C6 | N17 | H26 | 179.9° | 0.1° |
C1 | C6 | N17 | H27 | 60.1° | 180.0° |
O23 | C14 | C13 | C10 | 116.4° | 118.2° |
O23 | C14 | C13 | H6 | 126.5° | 123.7° |
O23 | C14 | C10 | H6 | 126.7° | 123.6° |
O23 | C14 | C13 | O22 | 158.0° | 144.0° |
O23 | C14 | C13 | C12 | 82.6° | 97.3° |
O23 | C14 | C10 | N9 | 56.4° | 37.4° |
O23 | C14 | C10 | O11 | 68.3° | 81.2° |
O23 | C14 | C10 | H3 | 176.1° | 160.3° |
O23 | C14 | C13 | H5 | 38.5° | 21.5° |
C1 | C2 | N9 | C10 | 178.9° | 180.0° |
C1 | C2 | N9 | C8 | 0.4° | 0.0° |
C2 | C1 | N7 | C8 | 0.5° | 0.0° |
C2 | N9 | C10 | C14 | 2.1° | 89.4° |
N9 | C2 | C1 | N7 | 0.1° | 0.0° |
C2 | N9 | C10 | C8 | 178.3° | 180.0° |
C2 | N9 | C10 | O11 | 119.4° | 156.5° |
C2 | N9 | C8 | N7 | 0.8° | 0.0° |
C2 | N9 | C8 | H2 | 179.2° | 180.0° |
C2 | N9 | C10 | H3 | 117.5° | 33.5° |
C13 | C14 | C10 | H6 | 117.1° | 118.2° |
C14 | C13 | O22 | C12 | 115.9° | 114.8° |
C14 | C13 | O22 | H5 | 119.2° | 122.6° |
C14 | C13 | C12 | H5 | 118.6° | 118.8° |
C13 | C14 | C10 | N9 | 172.6° | 155.6° |
C13 | C14 | C10 | O11 | 47.9° | 37.0° |
C14 | C13 | C12 | C15 | 109.5° | 121.5° |
C14 | C13 | C12 | O11 | 10.1° | 2.1° |
C13 | C14 | C10 | H3 | 67.7° | 81.5° |
C14 | C13 | C12 | H4 | 128.8° | 117.4° |
C14 | C13 | O22 | H31 | 180.0° | 65.2° |
C13 | C14 | O23 | H32 | 180.0° | 61.5° |
C10 | C14 | C13 | O22 | 85.6° | 97.8° |
C10 | C14 | C13 | C12 | 33.7° | 20.9° |
C14 | C10 | N9 | O11 | 117.2° | 114.1° |
C14 | C10 | N9 | H3 | 119.7° | 123.0° |
C14 | C10 | N9 | C8 | 179.6° | 90.6° |
C14 | C10 | O11 | H3 | 113.0° | 118.4° |
C14 | C10 | O11 | C12 | 41.3° | 40.1° |
C10 | C14 | C13 | H5 | 154.9° | 139.6° |
C10 | C14 | O23 | H32 | 70.0° | 174.2° |
C1 | N7 | C8 | N9 | 0.8° | 0.0° |
C1 | N7 | C8 | H2 | 179.2° | 180.0° |
O77 | C75 | C20 | O76 | 179.8° | 179.9° |
O77 | C75 | C20 | N21 | 114.7° | 20.0° |
O77 | C75 | C20 | C19 | 123.6° | 99.9° |
O77 | C75 | C20 | H13 | 5.1° | 140.0° |
O77 | C75 | O76 | H33 | 0.0° | 0.1° |
O22 | C13 | C12 | H5 | 122.9° | 122.5° |
O22 | C13 | C12 | C15 | 132.0° | 119.8° |
O22 | C13 | C12 | O11 | 108.4° | 120.7° |
O22 | C13 | C12 | H4 | 10.3° | 1.2° |
O22 | C13 | C14 | H6 | 31.5° | 20.3° |
C13 | C12 | O11 | C10 | 21.6° | 26.6° |
C13 | C12 | C15 | O11 | 116.6° | 117.9° |
C13 | C12 | C15 | H4 | 124.1° | 121.1° |
C13 | C12 | C15 | N16 | 141.0° | 179.4° |
C13 | C12 | O11 | H4 | 122.1° | 119.5° |
C12 | C13 | C14 | H6 | 150.9° | 139.0° |
C13 | C12 | C15 | H7 | 98.1° | 59.3° |
C13 | C12 | C15 | H8 | 20.2° | 60.6° |
C12 | C13 | O22 | H31 | 64.1° | 180.0° |
N9 | C10 | O11 | H3 | 121.3° | 122.9° |
C10 | N9 | C8 | N7 | 179.4° | 180.0° |
N9 | C10 | O11 | C12 | 166.9° | 158.7° |
C10 | N9 | C8 | H2 | 0.6° | 0.0° |
N9 | C10 | C14 | H6 | 70.3° | 86.2° |
C8 | N9 | C10 | O11 | 62.3° | 23.5° |
N9 | C8 | N7 | H2 | 180.0° | 179.9° |
C8 | N9 | C10 | H3 | 60.8° | 146.5° |
C10 | O11 | C12 | C15 | 139.5° | 146.1° |
C10 | O11 | C12 | H4 | 100.5° | 93.0° |
O11 | C10 | C14 | H6 | 165.0° | 155.2° |
C75 | C20 | N21 | C19 | 121.9° | 120.0° |
C75 | C20 | N21 | H13 | 119.3° | 120.0° |
C75 | C20 | C19 | H13 | 118.8° | 120.1° |
C75 | C20 | C19 | C18 | 135.7° | 175.0° |
C75 | C20 | C19 | H11 | 104.1° | 55.0° |
C75 | C20 | C19 | H12 | 15.4° | 65.0° |
C75 | C20 | N21 | H28 | 180.0° | 63.9° |
C75 | C20 | N21 | H29 | 60.0° | 60.0° |
C20 | C75 | O76 | H33 | 179.8° | 180.0° |
O76 | C75 | C20 | N21 | 65.1° | 160.0° |
O76 | C75 | C20 | C19 | 56.5° | 80.0° |
O76 | C75 | C20 | H13 | 175.0° | 40.0° |
N21 | C20 | C19 | H13 | 119.6° | 119.9° |
N21 | C20 | C19 | C18 | 102.7° | 65.0° |
N21 | C20 | C19 | H11 | 17.5° | 175.0° |
N21 | C20 | C19 | H12 | 137.0° | 55.1° |
C20 | N21 | H28 | H29 | 120.0° | 123.8° |
C12 | C15 | N16 | H7 | 120.9° | 120.0° |
C12 | C15 | N16 | H8 | 120.8° | 120.0° |
C15 | C12 | O11 | H4 | 120.0° | 120.9° |
C12 | C15 | N16 | C18 | 64.3° | 170.0° |
C12 | C15 | N16 | C24 | 69.5° | 66.0° |
C15 | C12 | C13 | H5 | 9.1° | 2.7° |
C12 | C15 | H7 | H8 | 117.3° | 120.0° |
N16 | C15 | C12 | O11 | 102.4° | 61.5° |
C15 | N16 | C18 | C24 | 134.1° | 124.0° |
C15 | N16 | C18 | C19 | 112.5° | 75.9° |
C15 | N16 | C24 | C25 | 117.5° | 163.9° |
N16 | C15 | C12 | H4 | 16.9° | 59.5° |
N16 | C15 | H7 | H8 | 117.4° | 120.0° |
C15 | N16 | C18 | H9 | 7.4° | 164.0° |
C15 | N16 | C18 | H10 | 127.7° | 44.1° |
C15 | N16 | C24 | H14 | 122.7° | 43.9° |
C15 | N16 | C24 | H15 | 2.3° | 76.1° |
C12 | O11 | C10 | H3 | 71.8° | 78.4° |
O11 | C12 | C13 | H5 | 128.7° | 116.7° |
O11 | C12 | C15 | H7 | 18.5° | 58.6° |
O11 | C12 | C15 | H8 | 136.8° | 178.5° |
C20 | C19 | C18 | N16 | 61.8° | 178.7° |
C20 | C19 | C18 | H11 | 120.3° | 119.9° |
C20 | C19 | C18 | H12 | 120.3° | 120.0° |
C20 | C19 | C18 | H9 | 58.1° | 61.3° |
C20 | C19 | C18 | H10 | 178.4° | 58.7° |
C20 | C19 | H11 | H12 | 119.1° | 119.9° |
C19 | C20 | N21 | H28 | 58.1° | 176.1° |
C19 | C20 | N21 | H29 | 178.1° | 60.1° |
N16 | C18 | C19 | H9 | 119.9° | 120.0° |
N16 | C18 | C19 | H10 | 119.8° | 120.1° |
C18 | N16 | C24 | C25 | 107.6° | 72.2° |
C18 | N16 | C15 | H7 | 174.8° | 50.0° |
C18 | N16 | C15 | H8 | 56.5° | 70.0° |
N16 | C18 | H9 | H10 | 120.3° | 120.0° |
N16 | C18 | C19 | H11 | 58.5° | 61.4° |
N16 | C18 | C19 | H12 | 178.0° | 58.7° |
C18 | N16 | C24 | H14 | 12.2° | 167.9° |
C18 | N16 | C24 | H15 | 132.6° | 47.8° |
C24 | N16 | C18 | C19 | 113.4° | 160.1° |
N16 | C24 | C25 | H14 | 119.8° | 120.0° |
N16 | C24 | C25 | H15 | 119.8° | 120.0° |
N16 | C24 | C25 | C26 | 159.2° | 174.5° |
C24 | N16 | C15 | H7 | 51.4° | 174.0° |
C24 | N16 | C15 | H8 | 169.7° | 54.0° |
C24 | N16 | C18 | H9 | 126.7° | 40.1° |
C24 | N16 | C18 | H10 | 6.5° | 79.9° |
N16 | C24 | H14 | H15 | 120.6° | 120.0° |
N16 | C24 | C25 | H16 | 80.4° | 54.6° |
N16 | C24 | C25 | H17 | 38.9° | 65.4° |
C19 | C18 | H9 | H10 | 120.4° | 119.9° |
C18 | C19 | H11 | H12 | 119.1° | 120.1° |
C18 | C19 | C20 | H13 | 16.9° | 54.9° |
C24 | C25 | C26 | H16 | 120.3° | 120.0° |
C24 | C25 | C26 | H17 | 120.4° | 120.1° |
C24 | C25 | C26 | C27 | 130.6° | 180.0° |
C25 | C24 | H14 | H15 | 120.6° | 120.0° |
C24 | C25 | H16 | H17 | 118.9° | 120.1° |
C24 | C25 | C26 | H18 | 109.0° | 60.0° |
C24 | C25 | C26 | H19 | 10.1° | 59.9° |
C25 | C26 | C27 | H18 | 120.5° | 120.0° |
C25 | C26 | C27 | H19 | 120.5° | 120.1° |
C25 | C26 | C27 | C28 | 115.4° | 180.0° |
C26 | C25 | C24 | H14 | 39.4° | 54.6° |
C26 | C25 | C24 | H15 | 81.0° | 65.5° |
C26 | C25 | H16 | H17 | 118.9° | 120.0° |
C25 | C26 | H18 | H19 | 118.6° | 120.0° |
C25 | C26 | C27 | H20 | 124.4° | 60.0° |
C25 | C26 | C27 | H21 | 4.7° | 60.0° |
C26 | C27 | C28 | H20 | 120.2° | 120.0° |
C26 | C27 | C28 | H21 | 120.2° | 120.0° |
C27 | C26 | C25 | H16 | 10.2° | 60.0° |
C27 | C26 | C25 | H17 | 109.1° | 59.9° |
C27 | C26 | H18 | H19 | 118.5° | 120.0° |
C26 | C27 | H20 | H21 | 119.5° | 120.0° |
C26 | C27 | C28 | H22 | 180.0° | 180.0° |
C26 | C27 | C28 | H23 | 60.0° | 60.0° |
C26 | C27 | C28 | H24 | 60.0° | 60.0° |
C28 | C27 | C26 | H18 | 5.1° | 60.0° |
C28 | C27 | C26 | H19 | 124.1° | 60.0° |
C28 | C27 | H20 | H21 | 119.5° | 120.0° |
C27 | C28 | H22 | H23 | 120.0° | 120.0° |
C27 | C28 | H22 | H24 | 120.0° | 120.0° |
C27 | C28 | H23 | H24 | 120.0° | 120.0° |
H3 | C10 | C14 | H6 | 49.4° | 36.7° |
H4 | C12 | C13 | H5 | 112.6° | 123.8° |
H4 | C12 | C15 | H7 | 137.8° | 179.6° |
H4 | C12 | C15 | H8 | 103.9° | 60.5° |
H5 | C13 | C14 | H6 | 87.9° | 102.2° |
H5 | C13 | O22 | H31 | 60.8° | 57.4° |
H6 | C14 | O23 | H32 | 55.1° | 62.2° |
H9 | C18 | C19 | H11 | 178.4° | 58.7° |
H9 | C18 | C19 | H12 | 62.2° | 178.7° |
H10 | C18 | C19 | H11 | 61.3° | 178.6° |
H10 | C18 | C19 | H12 | 58.1° | 61.3° |
H11 | C19 | C20 | H13 | 137.2° | 65.1° |
H12 | C19 | C20 | H13 | 103.4° | 175.0° |
H13 | C20 | N21 | H28 | 60.7° | 56.1° |
H13 | C20 | N21 | H29 | 59.3° | 180.0° |
H14 | C24 | C25 | H16 | 159.8° | 65.3° |
H14 | C24 | C25 | H17 | 80.9° | 174.6° |
H15 | C24 | C25 | H16 | 39.4° | 174.6° |
H15 | C24 | C25 | H17 | 158.7° | 54.6° |
H16 | C25 | C26 | H18 | 130.7° | 180.0° |
H16 | C25 | C26 | H19 | 110.2° | 60.0° |
H17 | C25 | C26 | H18 | 11.4° | 60.1° |
H17 | C25 | C26 | H19 | 130.4° | 180.0° |
H18 | C26 | C27 | H20 | 115.1° | 180.0° |
H18 | C26 | C27 | H21 | 125.2° | 60.0° |
H19 | C26 | C27 | H20 | 3.9° | 60.0° |
H19 | C26 | C27 | H21 | 115.7° | 179.9° |
H20 | C27 | C28 | H22 | 59.8° | 60.0° |
H20 | C27 | C28 | H23 | 179.8° | 180.0° |
H20 | C27 | C28 | H24 | 60.2° | 60.0° |
H21 | C27 | C28 | H22 | 59.8° | 60.1° |
H21 | C27 | C28 | H23 | 60.2° | 60.0° |
H21 | C27 | C28 | H24 | 179.9° | 179.9° |
H22 | C28 | H23 | H24 | 120.0° | 120.0° |