NJ0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C36 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C31 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C32 | sing | 1.51Å | 1.52Å | |
| C31 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C32 | C11 | sing | 1.53Å | 1.56Å | |
| C29 | N28 | doub | 1.32Å | 1.35Å | Aromatic |
| C26 | C25 | sing | 1.51Å | 1.51Å | |
| C26 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.53Å | 1.56Å | |
| C11 | N10 | sing | 1.47Å | 1.50Å | |
| N28 | C27 | sing | 1.32Å | 1.35Å | Aromatic |
| C07 | C08 | doub | 1.38Å | 1.40Å | Aromatic |
| C07 | N06 | sing | 1.32Å | 1.35Å | Aromatic |
| C25 | N24 | sing | 1.46Å | 1.47Å | |
| O23 | C22 | doub | 1.21Å | 1.22Å | |
| C12 | S13 | sing | 1.81Å | 1.87Å | |
| C08 | C09 | sing | 1.39Å | 1.39Å | Aromatic |
| N10 | C02 | sing | 1.35Å | 1.41Å | |
| N06 | C05 | doub | 1.32Å | 1.35Å | Aromatic |
| C22 | N24 | sing | 1.35Å | 1.41Å | |
| C22 | C14 | sing | 1.51Å | 1.53Å | |
| C09 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.41Å | Aromatic |
| C04 | C03 | sing | 1.51Å | 1.50Å | |
| C02 | O01 | doub | 1.21Å | 1.22Å | |
| C02 | C03 | sing | 1.51Å | 1.54Å | |
| S13 | C14 | sing | 1.81Å | 1.88Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.51Å | 1.50Å | |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.08Å | 1.08Å | |
| C07 | H13 | sing | 1.08Å | 1.08Å | |
| C08 | H14 | sing | 1.08Å | 1.08Å | |
| C09 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.08Å | 1.08Å | |
| C29 | H21 | sing | 1.08Å | 1.08Å | |
| C30 | H22 | sing | 1.08Å | 1.08Å | |
| C31 | H23 | sing | 1.08Å | 1.08Å | |
| C32 | H24 | sing | 1.09Å | 1.10Å | |
| C32 | H25 | sing | 1.09Å | 1.10Å | |
| C34 | H26 | sing | 1.08Å | 1.08Å | |
| C35 | H27 | sing | 1.08Å | 1.08Å | |
| C36 | H28 | sing | 1.08Å | 1.08Å | |
| C37 | H29 | sing | 1.08Å | 1.08Å | |
| C38 | H30 | sing | 1.08Å | 1.08Å | |
| N10 | H31 | sing | 0.97Å | 1.00Å | |
| N24 | H32 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C37 | C36 | C35 | 118.5° | 120.0° |
| C36 | C37 | C38 | 120.5° | 120.0° |
| C37 | C36 | H28 | 120.7° | 120.0° |
| C36 | C37 | H29 | 119.8° | 120.0° |
| C36 | C35 | C34 | 120.7° | 120.0° |
| C36 | C35 | H27 | 119.6° | 120.0° |
| C35 | C36 | H28 | 120.8° | 120.0° |
| C37 | C38 | C33 | 121.7° | 120.0° |
| C38 | C37 | H29 | 119.7° | 120.0° |
| C37 | C38 | H30 | 119.2° | 120.0° |
| C35 | C34 | C33 | 121.7° | 120.0° |
| C35 | C34 | H26 | 119.1° | 120.0° |
| C34 | C35 | H27 | 119.7° | 120.0° |
| C38 | C33 | C34 | 116.8° | 120.0° |
| C38 | C33 | C32 | 122.1° | 120.0° |
| C33 | C38 | H30 | 119.2° | 120.0° |
| C31 | C30 | C29 | 118.6° | 119.1° |
| C30 | C31 | C26 | 120.5° | 118.4° |
| C31 | C30 | H22 | 120.7° | 120.4° |
| C30 | C31 | H23 | 119.7° | 120.8° |
| C30 | C29 | N28 | 122.5° | 120.8° |
| C30 | C29 | H21 | 118.8° | 119.6° |
| C29 | C30 | H22 | 120.7° | 120.5° |
| C34 | C33 | C32 | 121.1° | 120.0° |
| C33 | C34 | H26 | 119.1° | 119.9° |
| C33 | C32 | C11 | 117.5° | 109.5° |
| C33 | C32 | H24 | 107.4° | 109.5° |
| C33 | C32 | H25 | 107.4° | 109.5° |
| C31 | C26 | C25 | 121.7° | 120.3° |
| C31 | C26 | C27 | 116.5° | 119.2° |
| C26 | C31 | H23 | 119.8° | 120.9° |
| C32 | C11 | C12 | 112.6° | 109.5° |
| C32 | C11 | N10 | 108.0° | 109.5° |
| C32 | C11 | H1 | 107.0° | 109.5° |
| C11 | C32 | H24 | 107.4° | 109.5° |
| C11 | C32 | H25 | 107.4° | 109.5° |
| C29 | N28 | C27 | 117.6° | 121.7° |
| N28 | C29 | H21 | 118.8° | 119.6° |
| C25 | C26 | C27 | 121.8° | 120.5° |
| C26 | C25 | N24 | 118.5° | 109.4° |
| C26 | C25 | H18 | 107.2° | 109.5° |
| C26 | C25 | H19 | 107.2° | 109.4° |
| C26 | C27 | N28 | 124.3° | 120.8° |
| C26 | C27 | H20 | 117.8° | 119.6° |
| C12 | C11 | N10 | 114.0° | 109.4° |
| C11 | C12 | S13 | 118.5° | 109.5° |
| C12 | C11 | H1 | 107.0° | 109.5° |
| C11 | C12 | H2 | 107.2° | 109.5° |
| C11 | C12 | H3 | 107.2° | 109.4° |
| C11 | N10 | C02 | 127.0° | 120.0° |
| N10 | C11 | H1 | 107.8° | 109.4° |
| C11 | N10 | H31 | 116.5° | 120.0° |
| N28 | C27 | H20 | 117.8° | 119.6° |
| C08 | C07 | N06 | 122.5° | 120.8° |
| C07 | C08 | C09 | 119.1° | 119.1° |
| C08 | C07 | H13 | 118.8° | 119.6° |
| C07 | C08 | H14 | 120.5° | 120.4° |
| C07 | N06 | C05 | 117.0° | 121.7° |
| N06 | C07 | H13 | 118.8° | 119.6° |
| C25 | N24 | C22 | 123.5° | 119.9° |
| N24 | C25 | H18 | 107.1° | 109.5° |
| N24 | C25 | H19 | 107.2° | 109.5° |
| C25 | N24 | H32 | 118.3° | 120.1° |
| O23 | C22 | N24 | 120.5° | 120.0° |
| O23 | C22 | C14 | 121.8° | 120.0° |
| C12 | S13 | C14 | 111.8° | 103.0° |
| S13 | C12 | H2 | 107.2° | 109.5° |
| S13 | C12 | H3 | 107.2° | 109.4° |
| C08 | C09 | C04 | 120.0° | 118.4° |
| C09 | C08 | H14 | 120.5° | 120.5° |
| C08 | C09 | H15 | 120.0° | 120.8° |
| N10 | C02 | O01 | 122.1° | 120.0° |
| N10 | C02 | C03 | 118.8° | 120.0° |
| C02 | N10 | H31 | 116.5° | 120.0° |
| N06 | C05 | C04 | 124.9° | 120.8° |
| N06 | C05 | H12 | 117.6° | 119.6° |
| N24 | C22 | C14 | 117.7° | 120.0° |
| C22 | N24 | H32 | 118.2° | 120.0° |
| C22 | C14 | S13 | 106.5° | 109.5° |
| C22 | C14 | C15 | 112.5° | 109.5° |
| C22 | C14 | H4 | 111.5° | 109.5° |
| C09 | C04 | C05 | 116.6° | 119.2° |
| C09 | C04 | C03 | 124.0° | 120.4° |
| C04 | C09 | H15 | 120.0° | 120.8° |
| C05 | C04 | C03 | 119.4° | 120.4° |
| C04 | C05 | H12 | 117.6° | 119.6° |
| C04 | C03 | C02 | 113.7° | 109.5° |
| C04 | C03 | H10 | 108.4° | 109.5° |
| C04 | C03 | H11 | 108.4° | 109.5° |
| O01 | C02 | C03 | 119.1° | 120.0° |
| C02 | C03 | H10 | 108.4° | 109.5° |
| C02 | C03 | H11 | 108.4° | 109.5° |
| S13 | C14 | C15 | 107.3° | 109.5° |
| S13 | C14 | H4 | 107.3° | 109.5° |
| C14 | C15 | C16 | 115.7° | 109.5° |
| C15 | C14 | H4 | 111.4° | 109.4° |
| C14 | C15 | H5 | 107.9° | 109.4° |
| C14 | C15 | H6 | 107.9° | 109.5° |
| C15 | C16 | C17 | 122.4° | 120.0° |
| C15 | C16 | C21 | 120.3° | 120.0° |
| C16 | C15 | H5 | 107.9° | 109.5° |
| C16 | C15 | H6 | 107.9° | 109.5° |
| C17 | C16 | C21 | 117.3° | 120.0° |
| C16 | C17 | C18 | 121.0° | 120.0° |
| C16 | C17 | H7 | 119.5° | 120.0° |
| C16 | C21 | C20 | 122.1° | 120.0° |
| C16 | C21 | H9 | 118.9° | 119.9° |
| C17 | C18 | C19 | 120.5° | 120.0° |
| C18 | C17 | H7 | 119.5° | 120.0° |
| C17 | C18 | H16 | 119.8° | 120.0° |
| C21 | C20 | C19 | 120.2° | 120.0° |
| C21 | C20 | H8 | 119.9° | 120.0° |
| C20 | C21 | H9 | 119.0° | 120.0° |
| C18 | C19 | C20 | 119.0° | 120.0° |
| C19 | C18 | H16 | 119.7° | 120.0° |
| C18 | C19 | H17 | 120.5° | 120.0° |
| C19 | C20 | H8 | 119.9° | 120.0° |
| C20 | C19 | H17 | 120.5° | 120.0° |
| H2 | C12 | H3 | 109.5° | 109.5° |
| H5 | C15 | H6 | 109.4° | 109.5° |
| H10 | C03 | H11 | 109.4° | 109.5° |
| H18 | C25 | H19 | 109.5° | 109.5° |
| H24 | C32 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C37 | C36 | C35 | H28 | 180.0° | 179.8° |
| C36 | C37 | C38 | H29 | 180.0° | 179.8° |
| C37 | C36 | C35 | C34 | 0.1° | 0.0° |
| C36 | C37 | C38 | C33 | 0.2° | 0.5° |
| C37 | C36 | C35 | H27 | 179.9° | 180.0° |
| C36 | C37 | C38 | H30 | 179.8° | 180.0° |
| C35 | C36 | C37 | C38 | 0.2° | 0.2° |
| C36 | C35 | C34 | H27 | 180.0° | 180.0° |
| C36 | C35 | C34 | C33 | 0.0° | 0.0° |
| C36 | C35 | C34 | H26 | 180.0° | 179.9° |
| C35 | C36 | C37 | H29 | 179.8° | 180.0° |
| C37 | C38 | C33 | H30 | 180.0° | 179.5° |
| C37 | C38 | C33 | C34 | 0.0° | 0.5° |
| C37 | C38 | C33 | C32 | 179.9° | 179.7° |
| C38 | C37 | C36 | H28 | 179.8° | 180.0° |
| C35 | C34 | C33 | C38 | 0.0° | 0.3° |
| C35 | C34 | C33 | H26 | 180.0° | 179.9° |
| C35 | C34 | C33 | C32 | 179.8° | 180.0° |
| C34 | C35 | C36 | H28 | 179.9° | 179.7° |
| C38 | C33 | C34 | C32 | 179.8° | 179.7° |
| C38 | C33 | C32 | C11 | 106.3° | 90.3° |
| C38 | C33 | C32 | H24 | 132.5° | 149.8° |
| C38 | C33 | C32 | H25 | 14.9° | 29.8° |
| C38 | C33 | C34 | H26 | 179.9° | 179.8° |
| C33 | C38 | C37 | H29 | 179.8° | 179.7° |
| C31 | C30 | C29 | H22 | 180.0° | 179.9° |
| C30 | C31 | C26 | H23 | 180.0° | 180.0° |
| C31 | C30 | C29 | N28 | 0.0° | 0.2° |
| C30 | C31 | C26 | C25 | 180.0° | 180.0° |
| C30 | C31 | C26 | C27 | 0.0° | 0.3° |
| C31 | C30 | C29 | H21 | 180.0° | 180.0° |
| C29 | C30 | C31 | C26 | 0.0° | 0.0° |
| C30 | C29 | N28 | H21 | 180.0° | 179.8° |
| C30 | C29 | N28 | C27 | 0.0° | 0.2° |
| C29 | C30 | C31 | H23 | 179.9° | 179.9° |
| C34 | C33 | C32 | C11 | 73.9° | 90.0° |
| C34 | C33 | C32 | H24 | 47.3° | 30.0° |
| C34 | C33 | C32 | H25 | 165.0° | 150.0° |
| C33 | C34 | C35 | H27 | 180.0° | 180.0° |
| C34 | C33 | C38 | H30 | 179.9° | 180.0° |
| C33 | C32 | C11 | H24 | 121.2° | 120.0° |
| C33 | C32 | C11 | H25 | 121.1° | 120.0° |
| C33 | C32 | C11 | C12 | 144.2° | 175.0° |
| C33 | C32 | C11 | N10 | 17.4° | 65.0° |
| C33 | C32 | C11 | H1 | 98.5° | 55.0° |
| C33 | C32 | H24 | H25 | 116.3° | 120.0° |
| C32 | C33 | C34 | H26 | 0.2° | 0.0° |
| C32 | C33 | C38 | H30 | 0.1° | 0.2° |
| C31 | C26 | C25 | C27 | 180.0° | 179.7° |
| C31 | C26 | C27 | N28 | 0.0° | 0.3° |
| C31 | C26 | C25 | N24 | 117.8° | 90.3° |
| C31 | C26 | C25 | H18 | 3.4° | 29.7° |
| C31 | C26 | C25 | H19 | 120.9° | 149.7° |
| C31 | C26 | C27 | H20 | 180.0° | 179.7° |
| C26 | C31 | C30 | H22 | 179.9° | 180.0° |
| C32 | C11 | C12 | N10 | 123.6° | 120.0° |
| C32 | C11 | C12 | H1 | 117.4° | 120.0° |
| C32 | C11 | N10 | H1 | 115.3° | 120.0° |
| C32 | C11 | C12 | S13 | 151.6° | 175.0° |
| C32 | C11 | N10 | C02 | 156.7° | 85.0° |
| C32 | C11 | C12 | H2 | 87.1° | 55.0° |
| C32 | C11 | C12 | H3 | 30.3° | 65.0° |
| C11 | C32 | H24 | H25 | 116.3° | 120.0° |
| C32 | C11 | N10 | H31 | 23.3° | 95.0° |
| C29 | N28 | C27 | C26 | 0.0° | 0.0° |
| C29 | N28 | C27 | H20 | 180.0° | 179.9° |
| N28 | C29 | C30 | H22 | 180.0° | 179.7° |
| C25 | C26 | C27 | N28 | 180.0° | 180.0° |
| C26 | C25 | N24 | H18 | 121.3° | 120.0° |
| C26 | C25 | N24 | H19 | 121.3° | 119.9° |
| C26 | C25 | N24 | C22 | 50.8° | 179.9° |
| C26 | C25 | H18 | H19 | 115.9° | 119.9° |
| C25 | C26 | C27 | H20 | 0.0° | 0.0° |
| C25 | C26 | C31 | H23 | 0.1° | 0.0° |
| C26 | C25 | N24 | H32 | 129.2° | 0.0° |
| C26 | C27 | N28 | H20 | 180.0° | 180.0° |
| C27 | C26 | C25 | N24 | 62.2° | 90.0° |
| C27 | C26 | C25 | H18 | 176.6° | 150.0° |
| C27 | C26 | C25 | H19 | 59.1° | 30.0° |
| C27 | C26 | C31 | H23 | 180.0° | 179.7° |
| C12 | C11 | N10 | H1 | 118.6° | 120.0° |
| C11 | C12 | S13 | H2 | 121.3° | 120.0° |
| C11 | C12 | S13 | H3 | 121.3° | 119.9° |
| C12 | C11 | N10 | C02 | 77.2° | 155.0° |
| C11 | C12 | S13 | C14 | 129.5° | 174.8° |
| C11 | C12 | H2 | H3 | 115.9° | 120.0° |
| C12 | C11 | C32 | H24 | 94.6° | 65.0° |
| C12 | C11 | C32 | H25 | 23.1° | 55.0° |
| C12 | C11 | N10 | H31 | 102.8° | 25.0° |
| N10 | C11 | C12 | S13 | 28.0° | 65.0° |
| C11 | N10 | C02 | H31 | 180.0° | 179.9° |
| C11 | N10 | C02 | O01 | 0.2° | 0.1° |
| C11 | N10 | C02 | C03 | 178.4° | 180.0° |
| N10 | C11 | C12 | H2 | 149.3° | 175.0° |
| N10 | C11 | C12 | H3 | 93.3° | 55.0° |
| N10 | C11 | C32 | H24 | 138.5° | 55.0° |
| N10 | C11 | C32 | H25 | 103.8° | 175.0° |
| C27 | N28 | C29 | H21 | 180.0° | 180.0° |
| C08 | C07 | N06 | H13 | 180.0° | 179.7° |
| C07 | C08 | C09 | H14 | 180.0° | 179.7° |
| C08 | C07 | N06 | C05 | 0.1° | 0.3° |
| C07 | C08 | C09 | C04 | 0.7° | 0.0° |
| C07 | C08 | C09 | H15 | 179.3° | 180.0° |
| N06 | C07 | C08 | C09 | 0.0° | 0.3° |
| C07 | N06 | C05 | C04 | 0.4° | 0.0° |
| C07 | N06 | C05 | H12 | 179.7° | 180.0° |
| N06 | C07 | C08 | H14 | 180.0° | 180.0° |
| C25 | N24 | C22 | O23 | 0.5° | 0.0° |
| C25 | N24 | C22 | H32 | 180.0° | 179.9° |
| C25 | N24 | C22 | C14 | 179.6° | 180.0° |
| N24 | C25 | H18 | H19 | 115.9° | 120.1° |
| O23 | C22 | N24 | C14 | 179.9° | 180.0° |
| O23 | C22 | C14 | S13 | 93.5° | 25.0° |
| O23 | C22 | C14 | C15 | 23.8° | 95.0° |
| O23 | C22 | C14 | H4 | 149.7° | 145.0° |
| O23 | C22 | N24 | H32 | 179.5° | 179.9° |
| C12 | S13 | C14 | C22 | 32.2° | 171.7° |
| C12 | S13 | C14 | C15 | 88.5° | 68.2° |
| S13 | C12 | C11 | H1 | 91.1° | 55.0° |
| S13 | C12 | H2 | H3 | 115.9° | 120.0° |
| C12 | S13 | C14 | H4 | 151.7° | 51.8° |
| C08 | C09 | C04 | H15 | 180.0° | 180.0° |
| C08 | C09 | C04 | C05 | 1.1° | 0.3° |
| C08 | C09 | C04 | C03 | 178.9° | 180.0° |
| C09 | C08 | C07 | H13 | 180.0° | 180.0° |
| N10 | C02 | C03 | C04 | 54.4° | 180.0° |
| N10 | C02 | O01 | C03 | 178.7° | 180.0° |
| C02 | N10 | C11 | H1 | 41.4° | 35.0° |
| N10 | C02 | C03 | H10 | 66.3° | 60.0° |
| N10 | C02 | C03 | H11 | 175.0° | 60.0° |
| N06 | C05 | C04 | C09 | 1.0° | 0.3° |
| N06 | C05 | C04 | H12 | 180.0° | 179.9° |
| N06 | C05 | C04 | C03 | 178.9° | 180.0° |
| C05 | N06 | C07 | H13 | 179.9° | 180.0° |
| N24 | C22 | C14 | S13 | 86.6° | 155.0° |
| N24 | C22 | C14 | C15 | 156.1° | 85.0° |
| N24 | C22 | C14 | H4 | 30.2° | 35.0° |
| C22 | N24 | C25 | H18 | 70.4° | 60.0° |
| C22 | N24 | C25 | H19 | 172.1° | 60.0° |
| C22 | C14 | S13 | C15 | 120.6° | 120.1° |
| C22 | C14 | S13 | H4 | 119.5° | 120.0° |
| C22 | C14 | C15 | H4 | 126.0° | 120.0° |
| C22 | C14 | C15 | C16 | 162.8° | 65.8° |
| C22 | C14 | C15 | H5 | 41.9° | 54.2° |
| C22 | C14 | C15 | H6 | 76.2° | 174.2° |
| C14 | C22 | N24 | H32 | 0.4° | 0.1° |
| C09 | C04 | C05 | C03 | 177.9° | 179.7° |
| C09 | C04 | C03 | C02 | 108.7° | 90.3° |
| C09 | C04 | C03 | H10 | 12.0° | 149.7° |
| C09 | C04 | C03 | H11 | 130.7° | 29.7° |
| C09 | C04 | C05 | H12 | 179.0° | 179.8° |
| C04 | C09 | C08 | H14 | 179.3° | 179.7° |
| C05 | C04 | C03 | C02 | 69.0° | 90.0° |
| C05 | C04 | C03 | H10 | 170.3° | 30.0° |
| C05 | C04 | C03 | H11 | 51.6° | 150.0° |
| C05 | C04 | C09 | H15 | 178.9° | 179.7° |
| C04 | C03 | C02 | O01 | 124.3° | 0.0° |
| C04 | C03 | C02 | H10 | 120.7° | 120.0° |
| C04 | C03 | C02 | H11 | 120.6° | 120.0° |
| C04 | C03 | H10 | H11 | 118.1° | 120.0° |
| C03 | C04 | C05 | H12 | 1.1° | 0.1° |
| C03 | C04 | C09 | H15 | 1.1° | 0.0° |
| O01 | C02 | C03 | H10 | 115.0° | 120.0° |
| O01 | C02 | C03 | H11 | 3.7° | 120.0° |
| O01 | C02 | N10 | H31 | 179.7° | 180.0° |
| C02 | C03 | H10 | H11 | 118.0° | 120.0° |
| C03 | C02 | N10 | H31 | 1.6° | 0.0° |
| S13 | C14 | C15 | H4 | 117.2° | 120.0° |
| S13 | C14 | C15 | C16 | 80.4° | 174.2° |
| C14 | S13 | C12 | H2 | 109.2° | 65.2° |
| C14 | S13 | C12 | H3 | 8.2° | 54.9° |
| S13 | C14 | C15 | H5 | 158.7° | 65.9° |
| S13 | C14 | C15 | H6 | 40.6° | 54.2° |
| C14 | C15 | C16 | H5 | 120.9° | 119.9° |
| C14 | C15 | C16 | H6 | 120.9° | 120.0° |
| C14 | C15 | C16 | C17 | 87.5° | 96.1° |
| C14 | C15 | C16 | C21 | 91.1° | 84.3° |
| C14 | C15 | H5 | H6 | 117.1° | 120.0° |
| C15 | C16 | C17 | C21 | 178.7° | 179.6° |
| C15 | C16 | C17 | C18 | 179.3° | 180.0° |
| C15 | C16 | C21 | C20 | 179.5° | 180.0° |
| C16 | C15 | C14 | H4 | 36.8° | 54.2° |
| C16 | C15 | H5 | H6 | 117.2° | 120.0° |
| C15 | C16 | C17 | H7 | 0.6° | 0.1° |
| C15 | C16 | C21 | H9 | 0.5° | 0.0° |
| C16 | C17 | C18 | H7 | 180.0° | 179.9° |
| C17 | C16 | C21 | C20 | 0.8° | 0.3° |
| C16 | C17 | C18 | C19 | 0.4° | 0.1° |
| C17 | C16 | C15 | H5 | 151.6° | 23.8° |
| C17 | C16 | C15 | H6 | 33.4° | 143.9° |
| C17 | C16 | C21 | H9 | 179.2° | 179.7° |
| C16 | C17 | C18 | H16 | 179.6° | 179.9° |
| C21 | C16 | C17 | C18 | 0.6° | 0.4° |
| C16 | C21 | C20 | H9 | 180.0° | 180.0° |
| C16 | C21 | C20 | C19 | 0.7° | 0.0° |
| C21 | C16 | C15 | H5 | 29.8° | 155.8° |
| C21 | C16 | C15 | H6 | 147.9° | 35.8° |
| C21 | C16 | C17 | H7 | 179.3° | 179.8° |
| C16 | C21 | C20 | H8 | 179.3° | 179.7° |
| C17 | C18 | C19 | H16 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.2° | 0.2° |
| C17 | C18 | C19 | H17 | 179.7° | 180.0° |
| C21 | C20 | C19 | C18 | 0.4° | 0.2° |
| C21 | C20 | C19 | H8 | 180.0° | 179.8° |
| C21 | C20 | C19 | H17 | 179.6° | 180.0° |
| C18 | C19 | C20 | H17 | 180.0° | 179.8° |
| C19 | C18 | C17 | H7 | 179.6° | 180.0° |
| C18 | C19 | C20 | H8 | 179.6° | 180.0° |
| C19 | C20 | C21 | H9 | 179.3° | 180.0° |
| C20 | C19 | C18 | H16 | 179.7° | 179.8° |
| H1 | C11 | C12 | H2 | 30.2° | 65.0° |
| H1 | C11 | C12 | H3 | 147.7° | 174.9° |
| H1 | C11 | C32 | H24 | 22.7° | 174.9° |
| H1 | C11 | C32 | H25 | 140.4° | 65.1° |
| H1 | C11 | N10 | H31 | 138.6° | 145.0° |
| H4 | C14 | C15 | H5 | 84.1° | 174.2° |
| H4 | C14 | C15 | H6 | 157.8° | 65.8° |
| H7 | C17 | C18 | H16 | 0.4° | 0.0° |
| H8 | C20 | C21 | H9 | 0.7° | 0.3° |
| H8 | C20 | C19 | H17 | 0.4° | 0.2° |
| H13 | C07 | C08 | H14 | 0.1° | 0.3° |
| H14 | C08 | C09 | H15 | 0.7° | 0.3° |
| H16 | C18 | C19 | H17 | 0.3° | 0.0° |
| H18 | C25 | N24 | H32 | 109.5° | 120.0° |
| H19 | C25 | N24 | H32 | 7.9° | 119.9° |
| H21 | C29 | C30 | H22 | 0.1° | 0.1° |
| H22 | C30 | C31 | H23 | 0.1° | 0.0° |
| H26 | C34 | C35 | H27 | 0.0° | 0.1° |
| H27 | C35 | C36 | H28 | 0.1° | 0.3° |
| H28 | C36 | C37 | H29 | 0.2° | 0.2° |
| H29 | C37 | C38 | H30 | 0.2° | 0.2° |
