NJO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C08 | doub | 1.38Å | 1.40Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.41Å | Aromatic |
| C08 | N09 | sing | 1.32Å | 1.35Å | Aromatic |
| C06 | C05 | doub | 1.39Å | 1.40Å | Aromatic |
| N09 | C10 | doub | 1.32Å | 1.36Å | Aromatic |
| C05 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C05 | C04 | sing | 1.51Å | 1.53Å | |
| C39 | C40 | doub | 1.38Å | 1.40Å | Aromatic |
| C39 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C40 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C03 | C04 | sing | 1.53Å | 1.56Å | |
| C03 | C02 | sing | 1.51Å | 1.54Å | |
| C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | N30 | sing | 1.32Å | 1.35Å | Aromatic |
| C38 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| N11 | C02 | sing | 1.35Å | 1.42Å | |
| N11 | C12 | sing | 1.46Å | 1.51Å | |
| C02 | O01 | doub | 1.21Å | 1.26Å | |
| C32 | C33 | sing | 1.39Å | 1.41Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C35 | C34 | sing | 1.51Å | 1.53Å | |
| C35 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| N30 | C29 | doub | 1.32Å | 1.36Å | Aromatic |
| C34 | C12 | sing | 1.53Å | 1.56Å | |
| C12 | C13 | sing | 1.53Å | 1.59Å | |
| C17 | C16 | sing | 1.51Å | 1.54Å | |
| C17 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C37 | C36 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C29 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | S14 | sing | 1.81Å | 1.88Å | |
| C15 | C23 | sing | 1.51Å | 1.54Å | |
| C28 | C27 | sing | 1.51Å | 1.54Å | |
| C13 | S14 | sing | 1.81Å | 1.87Å | |
| N25 | C23 | sing | 1.35Å | 1.39Å | |
| N25 | C26 | sing | 1.46Å | 1.49Å | |
| C23 | O24 | doub | 1.21Å | 1.26Å | |
| C27 | C26 | sing | 1.53Å | 1.57Å | |
| C20 | H1 | sing | 1.08Å | 1.08Å | |
| C19 | H2 | sing | 1.08Å | 1.08Å | |
| C18 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C03 | H13 | sing | 1.09Å | 1.10Å | |
| C04 | H14 | sing | 1.09Å | 1.10Å | |
| C06 | H15 | sing | 1.08Å | 1.08Å | |
| C07 | H16 | sing | 1.08Å | 1.08Å | |
| C08 | H17 | sing | 1.08Å | 1.08Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.09Å | 1.10Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.08Å | 1.08Å | |
| C31 | H22 | sing | 1.08Å | 1.08Å | |
| C32 | H23 | sing | 1.08Å | 1.08Å | |
| C33 | H24 | sing | 1.08Å | 1.08Å | |
| C34 | H25 | sing | 1.09Å | 1.10Å | |
| C34 | H26 | sing | 1.09Å | 1.10Å | |
| C36 | H27 | sing | 1.08Å | 1.08Å | |
| C37 | H28 | sing | 1.08Å | 1.08Å | |
| C38 | H29 | sing | 1.08Å | 1.08Å | |
| C39 | H30 | sing | 1.08Å | 1.08Å | |
| C40 | H31 | sing | 1.08Å | 1.08Å | |
| N11 | H32 | sing | 0.97Å | 1.00Å | |
| C03 | H33 | sing | 1.09Å | 1.10Å | |
| C04 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| N25 | H36 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | C07 | C06 | 118.6° | 119.1° |
| C07 | C08 | N09 | 121.5° | 120.8° |
| C08 | C07 | H16 | 120.7° | 120.4° |
| C07 | C08 | H17 | 119.3° | 119.6° |
| C07 | C06 | C05 | 121.3° | 118.4° |
| C07 | C06 | H15 | 119.3° | 120.8° |
| C06 | C07 | H16 | 120.7° | 120.4° |
| C08 | N09 | C10 | 118.7° | 121.7° |
| N09 | C08 | H17 | 119.2° | 119.6° |
| C06 | C05 | C10 | 115.4° | 119.2° |
| C06 | C05 | C04 | 123.7° | 120.4° |
| C05 | C06 | H15 | 119.3° | 120.8° |
| N09 | C10 | C05 | 124.4° | 120.8° |
| N09 | C10 | H9 | 117.8° | 119.6° |
| C10 | C05 | C04 | 120.8° | 120.4° |
| C05 | C10 | H9 | 117.8° | 119.6° |
| C05 | C04 | C03 | 117.1° | 109.5° |
| C05 | C04 | H14 | 107.5° | 109.5° |
| C05 | C04 | H34 | 107.5° | 109.4° |
| C40 | C39 | C38 | 120.1° | 120.0° |
| C39 | C40 | C35 | 122.1° | 120.0° |
| C40 | C39 | H30 | 120.0° | 120.0° |
| C39 | C40 | H31 | 119.0° | 120.0° |
| C39 | C38 | C37 | 118.9° | 120.0° |
| C39 | C38 | H29 | 120.5° | 120.0° |
| C38 | C39 | H30 | 120.0° | 120.0° |
| C40 | C35 | C34 | 121.3° | 120.0° |
| C40 | C35 | C36 | 116.8° | 120.0° |
| C35 | C40 | H31 | 119.0° | 120.0° |
| C04 | C03 | C02 | 120.6° | 109.5° |
| C04 | C03 | H13 | 106.6° | 109.5° |
| C03 | C04 | H14 | 107.5° | 109.5° |
| C04 | C03 | H33 | 106.6° | 109.5° |
| C03 | C04 | H34 | 107.5° | 109.4° |
| C03 | C02 | N11 | 125.9° | 120.0° |
| C03 | C02 | O01 | 117.4° | 120.0° |
| C02 | C03 | H13 | 106.7° | 109.5° |
| C02 | C03 | H33 | 106.6° | 109.4° |
| C18 | C19 | C20 | 120.5° | 120.0° |
| C19 | C18 | C17 | 122.1° | 120.0° |
| C18 | C19 | H2 | 119.7° | 120.0° |
| C19 | C18 | H3 | 118.9° | 120.0° |
| C19 | C20 | C21 | 118.5° | 120.0° |
| C19 | C20 | H1 | 120.8° | 119.9° |
| C20 | C19 | H2 | 119.7° | 120.0° |
| C32 | C31 | N30 | 121.3° | 120.8° |
| C31 | C32 | C33 | 119.2° | 119.2° |
| C32 | C31 | H22 | 119.4° | 119.6° |
| C31 | C32 | H23 | 120.4° | 120.4° |
| C31 | N30 | C29 | 118.1° | 121.7° |
| N30 | C31 | H22 | 119.4° | 119.6° |
| C38 | C37 | C36 | 120.4° | 120.0° |
| C38 | C37 | H28 | 119.8° | 120.0° |
| C37 | C38 | H29 | 120.6° | 120.0° |
| C18 | C17 | C16 | 122.5° | 120.0° |
| C18 | C17 | C22 | 116.4° | 120.0° |
| C17 | C18 | H3 | 119.0° | 120.0° |
| C02 | N11 | C12 | 128.1° | 120.0° |
| N11 | C02 | O01 | 116.7° | 120.0° |
| C02 | N11 | H32 | 115.9° | 120.0° |
| N11 | C12 | C34 | 111.1° | 109.5° |
| N11 | C12 | C13 | 114.3° | 109.5° |
| N11 | C12 | H10 | 107.1° | 109.5° |
| C12 | N11 | H32 | 115.9° | 120.0° |
| C32 | C33 | C28 | 121.1° | 118.4° |
| C33 | C32 | H23 | 120.4° | 120.4° |
| C32 | C33 | H24 | 119.4° | 120.8° |
| C20 | C21 | C22 | 120.2° | 120.0° |
| C21 | C20 | H1 | 120.8° | 120.1° |
| C20 | C21 | H11 | 119.9° | 120.0° |
| C34 | C35 | C36 | 121.8° | 120.0° |
| C35 | C34 | C12 | 115.3° | 109.5° |
| C35 | C34 | H25 | 108.0° | 109.5° |
| C35 | C34 | H26 | 108.0° | 109.5° |
| C35 | C36 | C37 | 121.7° | 120.0° |
| C35 | C36 | H27 | 119.2° | 120.0° |
| N30 | C29 | C28 | 126.0° | 120.7° |
| N30 | C29 | H21 | 117.0° | 119.6° |
| C34 | C12 | C13 | 110.9° | 109.5° |
| C34 | C12 | H10 | 106.6° | 109.5° |
| C12 | C34 | H25 | 108.0° | 109.5° |
| C12 | C34 | H26 | 108.0° | 109.5° |
| C12 | C13 | S14 | 111.8° | 109.5° |
| C12 | C13 | H7 | 108.9° | 109.5° |
| C12 | C13 | H8 | 108.9° | 109.5° |
| C13 | C12 | H10 | 106.2° | 109.5° |
| C16 | C17 | C22 | 121.1° | 120.0° |
| C17 | C16 | C15 | 117.6° | 109.5° |
| C17 | C16 | H4 | 107.4° | 109.5° |
| C17 | C16 | H5 | 107.4° | 109.4° |
| C17 | C22 | C21 | 122.3° | 120.0° |
| C17 | C22 | H12 | 118.9° | 120.0° |
| C37 | C36 | H27 | 119.1° | 119.9° |
| C36 | C37 | H28 | 119.8° | 120.0° |
| C33 | C28 | C29 | 114.3° | 119.2° |
| C33 | C28 | C27 | 124.5° | 120.4° |
| C28 | C33 | H24 | 119.5° | 120.8° |
| C22 | C21 | H11 | 119.9° | 120.0° |
| C21 | C22 | H12 | 118.9° | 120.0° |
| C16 | C15 | S14 | 113.6° | 109.5° |
| C16 | C15 | C23 | 111.4° | 109.5° |
| C15 | C16 | H4 | 107.4° | 109.5° |
| C15 | C16 | H5 | 107.4° | 109.5° |
| C16 | C15 | H6 | 109.1° | 109.5° |
| C29 | C28 | C27 | 121.2° | 120.4° |
| C28 | C29 | H21 | 117.0° | 119.7° |
| S14 | C15 | C23 | 108.1° | 109.5° |
| C15 | S14 | C13 | 111.4° | 103.0° |
| S14 | C15 | H6 | 105.4° | 109.5° |
| C15 | C23 | N25 | 124.9° | 120.0° |
| C15 | C23 | O24 | 116.1° | 120.0° |
| C23 | C15 | H6 | 109.1° | 109.5° |
| C28 | C27 | C26 | 119.0° | 109.5° |
| C28 | C27 | H19 | 107.0° | 109.4° |
| C28 | C27 | H20 | 107.0° | 109.5° |
| S14 | C13 | H7 | 108.9° | 109.5° |
| S14 | C13 | H8 | 108.9° | 109.5° |
| C23 | N25 | C26 | 125.2° | 120.0° |
| N25 | C23 | O24 | 119.0° | 120.0° |
| C23 | N25 | H36 | 117.4° | 120.0° |
| N25 | C26 | C27 | 115.9° | 109.5° |
| N25 | C26 | H18 | 107.8° | 109.5° |
| N25 | C26 | H35 | 107.9° | 109.5° |
| C26 | N25 | H36 | 117.4° | 120.0° |
| C27 | C26 | H18 | 107.9° | 109.4° |
| C26 | C27 | H19 | 107.0° | 109.5° |
| C26 | C27 | H20 | 107.0° | 109.5° |
| C27 | C26 | H35 | 107.8° | 109.4° |
| H4 | C16 | H5 | 109.5° | 109.5° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H13 | C03 | H33 | 109.4° | 109.4° |
| H14 | C04 | H34 | 109.5° | 109.5° |
| H18 | C26 | H35 | 109.5° | 109.5° |
| H19 | C27 | H20 | 109.5° | 109.5° |
| H25 | C34 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | C07 | C06 | H16 | 180.0° | 179.7° |
| C07 | C08 | N09 | H17 | 180.0° | 179.7° |
| C08 | C07 | C06 | C05 | 0.1° | 0.0° |
| C07 | C08 | N09 | C10 | 0.0° | 0.6° |
| C08 | C07 | C06 | H15 | 179.9° | 179.9° |
| C06 | C07 | C08 | N09 | 0.1° | 0.3° |
| C07 | C06 | C05 | H15 | 180.0° | 179.9° |
| C07 | C06 | C05 | C10 | 0.1° | 0.0° |
| C07 | C06 | C05 | C04 | 180.0° | 180.0° |
| C06 | C07 | C08 | H17 | 179.9° | 180.0° |
| C08 | N09 | C10 | C05 | 0.0° | 0.6° |
| C08 | N09 | C10 | H9 | 180.0° | 179.7° |
| N09 | C08 | C07 | H16 | 180.0° | 180.0° |
| C06 | C05 | C10 | N09 | 0.0° | 0.3° |
| C06 | C05 | C10 | C04 | 179.9° | 179.9° |
| C06 | C05 | C04 | C03 | 35.9° | 89.9° |
| C06 | C05 | C10 | H9 | 180.0° | 179.9° |
| C06 | C05 | C04 | H14 | 157.0° | 150.0° |
| C05 | C06 | C07 | H16 | 179.9° | 179.7° |
| C06 | C05 | C04 | H34 | 85.2° | 30.0° |
| N09 | C10 | C05 | H9 | 180.0° | 179.7° |
| N09 | C10 | C05 | C04 | 179.9° | 179.7° |
| C10 | N09 | C08 | H17 | 180.0° | 179.7° |
| C10 | C05 | C04 | C03 | 144.2° | 90.0° |
| C10 | C05 | C04 | H14 | 23.1° | 30.0° |
| C10 | C05 | C06 | H15 | 179.9° | 180.0° |
| C10 | C05 | C04 | H34 | 94.7° | 150.1° |
| C05 | C04 | C03 | H14 | 121.1° | 120.1° |
| C05 | C04 | C03 | H34 | 121.1° | 119.9° |
| C05 | C04 | C03 | C02 | 170.0° | 180.0° |
| C04 | C05 | C10 | H9 | 0.0° | 0.0° |
| C05 | C04 | C03 | H13 | 48.4° | 59.9° |
| C05 | C04 | H14 | H34 | 116.6° | 120.0° |
| C04 | C05 | C06 | H15 | 0.0° | 0.1° |
| C05 | C04 | C03 | H33 | 68.5° | 60.0° |
| C40 | C39 | C38 | H30 | 180.0° | 179.5° |
| C39 | C40 | C35 | H31 | 180.0° | 179.4° |
| C40 | C39 | C38 | C37 | 0.1° | 0.3° |
| C39 | C40 | C35 | C34 | 179.7° | 179.7° |
| C39 | C40 | C35 | C36 | 0.2° | 0.5° |
| C40 | C39 | C38 | H29 | 179.9° | 179.8° |
| C38 | C39 | C40 | C35 | 0.1° | 0.6° |
| C39 | C38 | C37 | H29 | 180.0° | 180.0° |
| C39 | C38 | C37 | C36 | 0.0° | 0.0° |
| C39 | C38 | C37 | H28 | 180.0° | 180.0° |
| C38 | C39 | C40 | H31 | 179.9° | 180.0° |
| C40 | C35 | C34 | C36 | 179.4° | 179.8° |
| C40 | C35 | C34 | C12 | 82.6° | 90.3° |
| C40 | C35 | C36 | C37 | 0.3° | 0.2° |
| C40 | C35 | C34 | H25 | 156.6° | 149.8° |
| C40 | C35 | C34 | H26 | 38.3° | 29.8° |
| C40 | C35 | C36 | H27 | 179.7° | 179.7° |
| C35 | C40 | C39 | H30 | 180.0° | 180.0° |
| C04 | C03 | C02 | H13 | 121.6° | 120.1° |
| C04 | C03 | C02 | H33 | 121.6° | 120.0° |
| C04 | C03 | C02 | N11 | 104.5° | 180.0° |
| C04 | C03 | C02 | O01 | 74.9° | 0.1° |
| C04 | C03 | H13 | H33 | 115.0° | 120.0° |
| C03 | C04 | H14 | H34 | 116.5° | 119.9° |
| C03 | C02 | N11 | O01 | 179.5° | 180.0° |
| C03 | C02 | N11 | C12 | 179.8° | 180.0° |
| C02 | C03 | H13 | H33 | 115.0° | 119.9° |
| C02 | C03 | C04 | H14 | 68.9° | 59.9° |
| C03 | C02 | N11 | H32 | 0.2° | 0.0° |
| C02 | C03 | C04 | H34 | 48.9° | 60.1° |
| C18 | C19 | C20 | H2 | 180.0° | 179.9° |
| C19 | C18 | C17 | H3 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.2° | 0.0° |
| C19 | C18 | C17 | C16 | 180.0° | 179.7° |
| C19 | C18 | C17 | C22 | 0.3° | 0.3° |
| C18 | C19 | C20 | H1 | 179.8° | 179.7° |
| C20 | C19 | C18 | C17 | 0.3° | 0.0° |
| C19 | C20 | C21 | H1 | 180.0° | 179.7° |
| C19 | C20 | C21 | C22 | 0.1° | 0.3° |
| C20 | C19 | C18 | H3 | 179.7° | 179.9° |
| C19 | C20 | C21 | H11 | 179.9° | 179.7° |
| C32 | C31 | N30 | H22 | 180.0° | 179.7° |
| C31 | C32 | C33 | H23 | 180.0° | 179.8° |
| C32 | C31 | N30 | C29 | 0.2° | 0.3° |
| C31 | C32 | C33 | C28 | 0.3° | 0.0° |
| C31 | C32 | C33 | H24 | 179.7° | 180.0° |
| N30 | C31 | C32 | C33 | 0.3° | 0.3° |
| C31 | N30 | C29 | C28 | 0.0° | 0.0° |
| C31 | N30 | C29 | H21 | 180.0° | 180.0° |
| N30 | C31 | C32 | H23 | 179.7° | 180.0° |
| C38 | C37 | C36 | C35 | 0.2° | 0.1° |
| C38 | C37 | C36 | H28 | 180.0° | 180.0° |
| C38 | C37 | C36 | H27 | 179.8° | 180.0° |
| C37 | C38 | C39 | H30 | 179.9° | 179.7° |
| C18 | C17 | C16 | C22 | 179.7° | 179.4° |
| C18 | C17 | C22 | C21 | 0.1° | 0.6° |
| C18 | C17 | C16 | C15 | 83.0° | 83.0° |
| C17 | C18 | C19 | H2 | 179.7° | 180.0° |
| C18 | C17 | C16 | H4 | 38.2° | 37.1° |
| C18 | C17 | C16 | H5 | 155.9° | 157.0° |
| C18 | C17 | C22 | H12 | 179.9° | 180.0° |
| C02 | N11 | C12 | H32 | 180.0° | 180.0° |
| C02 | N11 | C12 | C34 | 75.8° | 85.0° |
| C02 | N11 | C12 | C13 | 50.7° | 155.0° |
| C02 | N11 | C12 | H10 | 168.1° | 35.0° |
| N11 | C02 | C03 | H13 | 17.0° | 59.9° |
| N11 | C02 | C03 | H33 | 133.9° | 60.0° |
| C12 | N11 | C02 | O01 | 0.3° | 0.0° |
| N11 | C12 | C34 | C35 | 131.7° | 65.0° |
| N11 | C12 | C34 | C13 | 128.4° | 120.0° |
| N11 | C12 | C34 | H10 | 116.4° | 120.0° |
| N11 | C12 | C13 | H10 | 118.0° | 120.0° |
| N11 | C12 | C13 | S14 | 107.5° | 65.0° |
| N11 | C12 | C13 | H7 | 132.2° | 175.0° |
| N11 | C12 | C13 | H8 | 12.8° | 55.0° |
| N11 | C12 | C34 | H25 | 107.4° | 55.0° |
| N11 | C12 | C34 | H26 | 10.9° | 175.0° |
| O01 | C02 | C03 | H13 | 163.5° | 120.0° |
| O01 | C02 | N11 | H32 | 179.7° | 179.9° |
| O01 | C02 | C03 | H33 | 46.6° | 120.0° |
| C32 | C33 | C28 | H24 | 180.0° | 179.9° |
| C32 | C33 | C28 | C29 | 0.1° | 0.2° |
| C32 | C33 | C28 | C27 | 179.6° | 180.0° |
| C33 | C32 | C31 | H22 | 179.7° | 180.0° |
| C20 | C21 | C22 | C17 | 0.0° | 0.5° |
| C20 | C21 | C22 | H11 | 180.0° | 179.9° |
| C21 | C20 | C19 | H2 | 179.8° | 179.9° |
| C20 | C21 | C22 | H12 | 179.9° | 180.0° |
| C35 | C34 | C12 | H25 | 120.9° | 120.0° |
| C35 | C34 | C12 | H26 | 120.8° | 120.0° |
| C35 | C34 | C12 | C13 | 99.9° | 175.0° |
| C34 | C35 | C36 | C37 | 179.7° | 180.0° |
| C35 | C34 | C12 | H10 | 15.3° | 55.0° |
| C35 | C34 | H25 | H26 | 117.3° | 120.0° |
| C34 | C35 | C36 | H27 | 0.3° | 0.1° |
| C34 | C35 | C40 | H31 | 0.3° | 0.3° |
| C36 | C35 | C34 | C12 | 96.8° | 89.9° |
| C35 | C36 | C37 | H27 | 180.0° | 180.0° |
| C36 | C35 | C34 | H25 | 24.0° | 30.0° |
| C36 | C35 | C34 | H26 | 142.3° | 150.0° |
| C35 | C36 | C37 | H28 | 179.8° | 180.0° |
| C36 | C35 | C40 | H31 | 179.8° | 180.0° |
| N30 | C29 | C28 | C33 | 0.1° | 0.2° |
| N30 | C29 | C28 | H21 | 180.0° | 180.0° |
| N30 | C29 | C28 | C27 | 179.7° | 180.0° |
| C29 | N30 | C31 | H22 | 179.8° | 180.0° |
| C34 | C12 | C13 | H10 | 115.4° | 120.0° |
| C34 | C12 | C13 | S14 | 125.9° | 175.0° |
| C34 | C12 | C13 | H7 | 5.5° | 55.0° |
| C34 | C12 | C13 | H8 | 113.8° | 65.0° |
| C12 | C34 | H25 | H26 | 117.4° | 120.0° |
| C34 | C12 | N11 | H32 | 104.2° | 95.0° |
| C12 | C13 | S14 | C15 | 35.4° | 174.9° |
| C12 | C13 | S14 | H7 | 120.3° | 120.0° |
| C12 | C13 | S14 | H8 | 120.3° | 120.0° |
| C12 | C13 | H7 | H8 | 119.0° | 120.0° |
| C13 | C12 | C34 | H25 | 20.9° | 65.0° |
| C13 | C12 | C34 | H26 | 139.2° | 55.0° |
| C13 | C12 | N11 | H32 | 129.3° | 25.0° |
| C16 | C17 | C22 | C21 | 179.9° | 180.0° |
| C17 | C16 | C15 | H4 | 121.2° | 120.0° |
| C17 | C16 | C15 | H5 | 121.2° | 119.9° |
| C17 | C16 | C15 | S14 | 167.7° | 174.2° |
| C17 | C16 | C15 | C23 | 45.3° | 65.8° |
| C16 | C17 | C18 | H3 | 0.0° | 0.3° |
| C17 | C16 | H4 | H5 | 116.3° | 120.0° |
| C17 | C16 | C15 | H6 | 75.1° | 54.2° |
| C16 | C17 | C22 | H12 | 0.1° | 0.6° |
| C17 | C22 | C21 | H12 | 180.0° | 179.5° |
| C22 | C17 | C16 | C15 | 96.8° | 96.4° |
| C22 | C17 | C18 | H3 | 179.7° | 179.7° |
| C22 | C17 | C16 | H4 | 142.0° | 143.5° |
| C22 | C17 | C16 | H5 | 24.4° | 23.5° |
| C17 | C22 | C21 | H11 | 180.0° | 179.4° |
| C36 | C37 | C38 | H29 | 180.0° | 179.9° |
| C33 | C28 | C29 | C27 | 179.6° | 179.8° |
| C33 | C28 | C27 | C26 | 23.6° | 90.3° |
| C33 | C28 | C27 | H19 | 97.7° | 149.8° |
| C33 | C28 | C27 | H20 | 144.9° | 29.8° |
| C33 | C28 | C29 | H21 | 179.9° | 179.8° |
| C28 | C33 | C32 | H23 | 179.8° | 179.8° |
| C22 | C21 | C20 | H1 | 179.9° | 179.9° |
| C16 | C15 | S14 | C23 | 124.1° | 120.0° |
| C16 | C15 | S14 | H6 | 119.3° | 120.0° |
| C16 | C15 | C23 | H6 | 120.4° | 120.0° |
| C16 | C15 | S14 | C13 | 120.0° | 68.1° |
| C16 | C15 | C23 | N25 | 113.5° | 85.0° |
| C16 | C15 | C23 | O24 | 66.1° | 95.0° |
| C15 | C16 | H4 | H5 | 116.3° | 120.0° |
| C29 | C28 | C27 | C26 | 156.8° | 90.0° |
| C29 | C28 | C27 | H19 | 81.9° | 30.0° |
| C29 | C28 | C27 | H20 | 35.4° | 150.0° |
| C29 | C28 | C33 | H24 | 179.9° | 179.7° |
| S14 | C15 | C23 | H6 | 114.1° | 120.0° |
| S14 | C15 | C23 | N25 | 121.1° | 155.0° |
| S14 | C15 | C23 | O24 | 59.4° | 25.0° |
| S14 | C15 | C16 | H4 | 71.1° | 54.2° |
| S14 | C15 | C16 | H5 | 46.5° | 65.8° |
| C15 | S14 | C13 | H7 | 84.9° | 65.1° |
| C15 | S14 | C13 | H8 | 155.8° | 54.9° |
| C23 | C15 | S14 | C13 | 115.9° | 171.9° |
| C15 | C23 | N25 | O24 | 179.5° | 180.0° |
| C15 | C23 | N25 | C26 | 179.6° | 180.0° |
| C23 | C15 | C16 | H4 | 166.5° | 174.2° |
| C23 | C15 | C16 | H5 | 75.8° | 54.2° |
| C15 | C23 | N25 | H36 | 0.4° | 0.1° |
| C28 | C27 | C26 | N25 | 36.6° | 180.0° |
| C28 | C27 | C26 | H19 | 121.3° | 120.0° |
| C28 | C27 | C26 | H20 | 121.3° | 120.0° |
| C28 | C27 | C26 | H18 | 157.5° | 60.0° |
| C28 | C27 | H19 | H20 | 115.7° | 120.0° |
| C27 | C28 | C29 | H21 | 0.3° | 0.0° |
| C27 | C28 | C33 | H24 | 0.4° | 0.0° |
| C28 | C27 | C26 | H35 | 84.4° | 60.0° |
| C13 | S14 | C15 | H6 | 0.7° | 51.9° |
| S14 | C13 | H7 | H8 | 118.9° | 120.0° |
| S14 | C13 | C12 | H10 | 10.4° | 55.0° |
| C23 | N25 | C26 | H36 | 180.0° | 180.0° |
| C23 | N25 | C26 | C27 | 164.7° | 180.0° |
| N25 | C23 | C15 | H6 | 7.0° | 35.0° |
| C23 | N25 | C26 | H18 | 74.4° | 60.0° |
| C23 | N25 | C26 | H35 | 43.8° | 60.0° |
| C26 | N25 | C23 | O24 | 0.1° | 0.0° |
| N25 | C26 | C27 | H18 | 120.9° | 120.0° |
| N25 | C26 | C27 | H35 | 120.9° | 120.0° |
| N25 | C26 | H18 | H35 | 117.1° | 120.0° |
| N25 | C26 | C27 | H19 | 157.9° | 60.0° |
| N25 | C26 | C27 | H20 | 84.8° | 60.0° |
| O24 | C23 | C15 | H6 | 173.5° | 145.0° |
| O24 | C23 | N25 | H36 | 179.9° | 179.9° |
| C27 | C26 | H18 | H35 | 117.1° | 120.0° |
| C26 | C27 | H19 | H20 | 115.7° | 120.0° |
| C27 | C26 | N25 | H36 | 15.3° | 0.0° |
| H1 | C20 | C19 | H2 | 0.2° | 0.4° |
| H1 | C20 | C21 | H11 | 0.1° | 0.0° |
| H2 | C19 | C18 | H3 | 0.3° | 0.0° |
| H4 | C16 | C15 | H6 | 46.1° | 65.8° |
| H5 | C16 | C15 | H6 | 163.7° | 174.2° |
| H7 | C13 | C12 | H10 | 109.9° | 65.0° |
| H8 | C13 | C12 | H10 | 130.8° | 175.0° |
| H10 | C12 | C34 | H25 | 136.1° | 175.0° |
| H10 | C12 | C34 | H26 | 105.5° | 65.0° |
| H10 | C12 | N11 | H32 | 11.9° | 144.9° |
| H11 | C21 | C22 | H12 | 0.0° | 0.1° |
| H13 | C03 | C04 | H14 | 169.5° | 180.0° |
| H13 | C03 | C04 | H34 | 72.7° | 60.0° |
| H14 | C04 | C03 | H33 | 52.6° | 60.0° |
| H15 | C06 | C07 | H16 | 0.1° | 0.3° |
| H16 | C07 | C08 | H17 | 0.1° | 0.3° |
| H18 | C26 | C27 | H19 | 81.2° | 60.0° |
| H18 | C26 | C27 | H20 | 36.2° | 180.0° |
| H18 | C26 | N25 | H36 | 105.7° | 120.0° |
| H19 | C27 | C26 | H35 | 37.0° | 180.0° |
| H20 | C27 | C26 | H35 | 154.3° | 60.0° |
| H22 | C31 | C32 | H23 | 0.3° | 0.2° |
| H23 | C32 | C33 | H24 | 0.3° | 0.3° |
| H27 | C36 | C37 | H28 | 0.2° | 0.0° |
| H28 | C37 | C38 | H29 | 0.0° | 0.0° |
| H29 | C38 | C39 | H30 | 0.1° | 0.3° |
| H30 | C39 | C40 | H31 | 0.0° | 0.5° |
| H33 | C03 | C04 | H34 | 170.4° | 180.0° |
| H35 | C26 | N25 | H36 | 136.2° | 119.9° |
