NXR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C36 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C37 | N38 | sing | 1.32Å | 1.34Å | Aromatic |
| C35 | C34 | doub | 1.40Å | 1.40Å | Aromatic |
| N38 | C39 | doub | 1.32Å | 1.34Å | Aromatic |
| C34 | C39 | sing | 1.40Å | 1.40Å | Aromatic |
| C34 | C32 | sing | 1.48Å | 1.54Å | |
| O33 | C32 | doub | 1.22Å | 1.21Å | |
| C32 | N31 | sing | 1.35Å | 1.47Å | |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| N31 | C23 | sing | 1.46Å | 1.46Å | |
| C15 | C14 | sing | 1.51Å | 1.54Å | |
| C15 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | S21 | sing | 1.81Å | 1.81Å | |
| C13 | C02 | sing | 1.51Å | 1.52Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| S21 | C22 | sing | 1.81Å | 1.80Å | |
| C24 | C25 | sing | 1.51Å | 1.54Å | |
| C26 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C07 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| N03 | C02 | sing | 1.35Å | 1.45Å | |
| N03 | C04 | sing | 1.47Å | 1.46Å | |
| C02 | O01 | doub | 1.21Å | 1.21Å | |
| C27 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C30 | doub | 1.38Å | 1.41Å | Aromatic |
| C06 | C07 | sing | 1.51Å | 1.54Å | |
| C06 | C05 | sing | 1.53Å | 1.52Å | |
| C07 | C08 | doub | 1.38Å | 1.40Å | Aromatic |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C10 | N09 | doub | 1.32Å | 1.34Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C08 | N09 | sing | 1.32Å | 1.34Å | Aromatic |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C04 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.08Å | 1.08Å | |
| C27 | H25 | sing | 1.08Å | 1.08Å | |
| C28 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | H27 | sing | 1.08Å | 1.08Å | |
| C30 | H28 | sing | 1.08Å | 1.08Å | |
| C35 | H29 | sing | 1.08Å | 1.08Å | |
| C36 | H30 | sing | 1.08Å | 1.08Å | |
| C37 | H31 | sing | 1.08Å | 1.08Å | |
| C39 | H32 | sing | 1.08Å | 1.08Å | |
| N03 | H33 | sing | 0.97Å | 1.00Å | |
| N31 | H34 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C37 | C36 | C35 | 117.9° | 119.4° |
| C36 | C37 | N38 | 122.1° | 121.0° |
| C37 | C36 | H30 | 121.0° | 120.3° |
| C36 | C37 | H31 | 118.9° | 119.5° |
| C36 | C35 | C34 | 121.7° | 118.3° |
| C36 | C35 | H29 | 119.1° | 120.9° |
| C35 | C36 | H30 | 121.1° | 120.3° |
| C37 | N38 | C39 | 118.1° | 121.9° |
| N38 | C37 | H31 | 119.0° | 119.5° |
| C35 | C34 | C39 | 114.5° | 118.8° |
| C35 | C34 | C32 | 124.6° | 120.6° |
| C34 | C35 | H29 | 119.1° | 120.8° |
| N38 | C39 | C34 | 125.7° | 120.6° |
| N38 | C39 | H32 | 117.2° | 119.7° |
| C39 | C34 | C32 | 120.9° | 120.6° |
| C34 | C39 | H32 | 117.2° | 119.7° |
| C34 | C32 | O33 | 118.1° | 120.0° |
| C34 | C32 | N31 | 124.7° | 120.0° |
| O33 | C32 | N31 | 117.2° | 120.0° |
| C32 | N31 | C23 | 126.9° | 120.0° |
| C32 | N31 | H34 | 116.6° | 120.0° |
| C16 | C17 | C18 | 120.6° | 120.0° |
| C17 | C16 | C15 | 122.2° | 120.0° |
| C17 | C16 | H14 | 118.9° | 120.0° |
| C16 | C17 | H15 | 119.7° | 120.0° |
| C17 | C18 | C19 | 118.3° | 120.0° |
| C18 | C17 | H15 | 119.7° | 120.0° |
| C17 | C18 | H16 | 120.8° | 120.0° |
| C16 | C15 | C14 | 122.5° | 120.0° |
| C16 | C15 | C20 | 116.1° | 120.0° |
| C15 | C16 | H14 | 118.9° | 120.0° |
| C18 | C19 | C20 | 120.2° | 120.0° |
| C19 | C18 | H16 | 120.8° | 120.1° |
| C18 | C19 | H17 | 119.9° | 120.0° |
| N31 | C23 | C24 | 111.8° | 109.5° |
| N31 | C23 | C22 | 109.2° | 109.5° |
| N31 | C23 | H21 | 108.8° | 109.4° |
| C23 | N31 | H34 | 116.5° | 120.0° |
| C14 | C15 | C20 | 121.4° | 120.0° |
| C15 | C14 | C13 | 117.0° | 109.5° |
| C15 | C14 | H12 | 107.5° | 109.5° |
| C15 | C14 | H13 | 107.6° | 109.5° |
| C15 | C20 | C19 | 122.6° | 120.0° |
| C15 | C20 | H18 | 118.7° | 120.0° |
| C14 | C13 | S21 | 109.8° | 109.5° |
| C14 | C13 | C02 | 112.6° | 109.5° |
| C14 | C13 | H11 | 109.4° | 109.5° |
| C13 | C14 | H12 | 107.6° | 109.5° |
| C13 | C14 | H13 | 107.5° | 109.5° |
| S21 | C13 | C02 | 108.9° | 109.5° |
| C13 | S21 | C22 | 113.2° | 103.0° |
| S21 | C13 | H11 | 106.4° | 109.5° |
| C13 | C02 | N03 | 123.7° | 120.0° |
| C13 | C02 | O01 | 119.9° | 120.0° |
| C02 | C13 | H11 | 109.5° | 109.5° |
| C24 | C23 | C22 | 111.2° | 109.5° |
| C23 | C24 | C25 | 116.4° | 109.5° |
| C24 | C23 | H21 | 107.8° | 109.4° |
| C23 | C24 | H22 | 107.7° | 109.5° |
| C23 | C24 | H23 | 107.7° | 109.5° |
| C23 | C22 | S21 | 113.0° | 109.5° |
| C23 | C22 | H19 | 108.6° | 109.4° |
| C23 | C22 | H20 | 108.6° | 109.4° |
| C22 | C23 | H21 | 107.9° | 109.5° |
| C20 | C19 | H17 | 119.9° | 120.0° |
| C19 | C20 | H18 | 118.7° | 120.0° |
| S21 | C22 | H19 | 108.6° | 109.5° |
| S21 | C22 | H20 | 108.6° | 109.5° |
| C24 | C25 | C26 | 121.0° | 120.0° |
| C24 | C25 | C30 | 122.8° | 120.0° |
| C25 | C24 | H22 | 107.7° | 109.5° |
| C25 | C24 | H23 | 107.7° | 109.5° |
| C27 | C26 | C25 | 122.4° | 120.0° |
| C26 | C27 | C28 | 120.5° | 120.0° |
| C27 | C26 | H24 | 118.8° | 120.0° |
| C26 | C27 | H25 | 119.7° | 120.0° |
| C26 | C25 | C30 | 116.1° | 120.1° |
| C25 | C26 | H24 | 118.8° | 120.0° |
| C11 | C12 | C07 | 121.3° | 118.4° |
| C12 | C11 | C10 | 118.2° | 119.2° |
| C12 | C11 | H9 | 120.9° | 120.4° |
| C11 | C12 | H10 | 119.4° | 120.8° |
| C12 | C07 | C06 | 124.7° | 120.4° |
| C12 | C07 | C08 | 114.6° | 119.2° |
| C07 | C12 | H10 | 119.4° | 120.8° |
| C11 | C10 | N09 | 122.2° | 120.7° |
| C11 | C10 | H8 | 118.9° | 119.6° |
| C10 | C11 | H9 | 120.9° | 120.4° |
| C02 | N03 | C04 | 125.5° | 120.0° |
| N03 | C02 | O01 | 116.5° | 120.0° |
| C02 | N03 | H33 | 117.3° | 120.0° |
| N03 | C04 | C05 | 115.8° | 109.5° |
| N03 | C04 | H1 | 107.9° | 109.4° |
| N03 | C04 | H2 | 107.9° | 109.5° |
| C04 | N03 | H33 | 117.3° | 120.0° |
| C27 | C28 | C29 | 118.3° | 120.0° |
| C28 | C27 | H25 | 119.8° | 120.1° |
| C27 | C28 | H26 | 120.9° | 120.0° |
| C25 | C30 | C29 | 122.4° | 120.0° |
| C25 | C30 | H28 | 118.8° | 120.1° |
| C07 | C06 | C05 | 116.8° | 109.4° |
| C06 | C07 | C08 | 120.6° | 120.4° |
| C07 | C06 | H5 | 107.6° | 109.5° |
| C07 | C06 | H6 | 107.6° | 109.5° |
| C06 | C05 | C04 | 116.1° | 109.4° |
| C06 | C05 | H3 | 107.8° | 109.5° |
| C06 | C05 | H4 | 107.8° | 109.5° |
| C05 | C06 | H5 | 107.6° | 109.5° |
| C05 | C06 | H6 | 107.6° | 109.5° |
| C07 | C08 | N09 | 125.9° | 120.7° |
| C07 | C08 | H7 | 117.1° | 119.6° |
| C05 | C04 | H1 | 107.9° | 109.5° |
| C05 | C04 | H2 | 107.9° | 109.5° |
| C04 | C05 | H3 | 107.8° | 109.5° |
| C04 | C05 | H4 | 107.8° | 109.4° |
| C10 | N09 | C08 | 117.8° | 121.8° |
| N09 | C10 | H8 | 118.9° | 119.6° |
| C28 | C29 | C30 | 120.4° | 120.0° |
| C29 | C28 | H26 | 120.9° | 120.0° |
| C28 | C29 | H27 | 119.8° | 120.0° |
| C30 | C29 | H27 | 119.8° | 120.0° |
| C29 | C30 | H28 | 118.8° | 120.0° |
| N09 | C08 | H7 | 117.1° | 119.7° |
| H1 | C04 | H2 | 109.5° | 109.5° |
| H3 | C05 | H4 | 109.5° | 109.5° |
| H5 | C06 | H6 | 109.5° | 109.5° |
| H12 | C14 | H13 | 109.5° | 109.5° |
| H19 | C22 | H20 | 109.4° | 109.5° |
| H22 | C24 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C37 | C36 | C35 | H30 | 180.0° | 180.0° |
| C36 | C37 | N38 | H31 | 180.0° | 180.0° |
| C37 | C36 | C35 | C34 | 0.1° | 0.0° |
| C36 | C37 | N38 | C39 | 0.1° | 0.0° |
| C37 | C36 | C35 | H29 | 180.0° | 180.0° |
| C35 | C36 | C37 | N38 | 0.1° | 0.0° |
| C36 | C35 | C34 | H29 | 180.0° | 180.0° |
| C36 | C35 | C34 | C39 | 0.3° | 0.0° |
| C36 | C35 | C34 | C32 | 179.9° | 179.7° |
| C35 | C36 | C37 | H31 | 179.9° | 180.0° |
| C37 | N38 | C39 | C34 | 0.4° | 0.0° |
| N38 | C37 | C36 | H30 | 179.9° | 180.0° |
| C37 | N38 | C39 | H32 | 179.7° | 179.8° |
| C35 | C34 | C39 | N38 | 0.5° | 0.0° |
| C35 | C34 | C39 | C32 | 179.6° | 179.7° |
| C35 | C34 | C32 | O33 | 3.4° | 0.3° |
| C35 | C34 | C32 | N31 | 176.6° | 179.7° |
| C34 | C35 | C36 | H30 | 179.9° | 180.0° |
| C35 | C34 | C39 | H32 | 179.6° | 179.8° |
| N38 | C39 | C34 | H32 | 180.0° | 179.8° |
| N38 | C39 | C34 | C32 | 179.9° | 179.7° |
| C39 | N38 | C37 | H31 | 179.9° | 180.0° |
| C39 | C34 | C32 | O33 | 177.0° | 180.0° |
| C39 | C34 | C32 | N31 | 2.9° | 0.0° |
| C39 | C34 | C35 | H29 | 179.7° | 180.0° |
| C34 | C32 | O33 | N31 | 180.0° | 179.9° |
| C34 | C32 | N31 | C23 | 179.4° | 180.0° |
| C32 | C34 | C35 | H29 | 0.1° | 0.3° |
| C32 | C34 | C39 | H32 | 0.0° | 0.1° |
| C34 | C32 | N31 | H34 | 0.5° | 0.1° |
| O33 | C32 | N31 | C23 | 0.6° | 0.1° |
| O33 | C32 | N31 | H34 | 179.4° | 180.0° |
| C32 | N31 | C23 | H34 | 180.0° | 179.9° |
| C32 | N31 | C23 | C24 | 83.0° | 84.9° |
| C32 | N31 | C23 | C22 | 153.6° | 155.0° |
| C32 | N31 | C23 | H21 | 36.0° | 35.0° |
| C16 | C17 | C18 | H15 | 180.0° | 179.9° |
| C17 | C16 | C15 | H14 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.1° | 0.0° |
| C17 | C16 | C15 | C14 | 179.1° | 179.9° |
| C17 | C16 | C15 | C20 | 1.0° | 0.4° |
| C16 | C17 | C18 | H16 | 179.9° | 180.0° |
| C18 | C17 | C16 | C15 | 0.4° | 0.1° |
| C17 | C18 | C19 | H16 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.0° | 0.2° |
| C18 | C17 | C16 | H14 | 179.6° | 180.0° |
| C17 | C18 | C19 | H17 | 180.0° | 180.0° |
| C16 | C15 | C14 | C20 | 178.0° | 179.7° |
| C16 | C15 | C14 | C13 | 74.6° | 83.9° |
| C16 | C15 | C20 | C19 | 1.1° | 0.5° |
| C16 | C15 | C14 | H12 | 46.5° | 156.1° |
| C16 | C15 | C14 | H13 | 164.4° | 36.1° |
| C15 | C16 | C17 | H15 | 179.6° | 180.0° |
| C16 | C15 | C20 | H18 | 178.9° | 179.7° |
| C18 | C19 | C20 | C15 | 0.7° | 0.4° |
| C18 | C19 | C20 | H17 | 180.0° | 179.9° |
| C19 | C18 | C17 | H15 | 179.9° | 179.9° |
| C18 | C19 | C20 | H18 | 179.3° | 179.8° |
| N31 | C23 | C24 | C22 | 122.3° | 120.0° |
| N31 | C23 | C24 | H21 | 119.5° | 120.0° |
| N31 | C23 | C22 | H21 | 118.1° | 120.0° |
| N31 | C23 | C22 | S21 | 73.2° | 65.0° |
| N31 | C23 | C24 | C25 | 171.1° | 65.0° |
| N31 | C23 | C22 | H19 | 166.2° | 175.0° |
| N31 | C23 | C22 | H20 | 47.3° | 55.1° |
| N31 | C23 | C24 | H22 | 50.1° | 55.0° |
| N31 | C23 | C24 | H23 | 67.8° | 175.0° |
| C15 | C14 | C13 | H12 | 121.1° | 120.0° |
| C15 | C14 | C13 | H13 | 121.1° | 120.0° |
| C15 | C14 | C13 | S21 | 167.7° | 174.2° |
| C15 | C14 | C13 | C02 | 46.1° | 65.8° |
| C14 | C15 | C20 | C19 | 179.2° | 179.8° |
| C15 | C14 | C13 | H11 | 75.9° | 54.2° |
| C15 | C14 | H12 | H13 | 116.6° | 120.0° |
| C14 | C15 | C16 | H14 | 0.9° | 0.0° |
| C14 | C15 | C20 | H18 | 0.7° | 0.0° |
| C20 | C15 | C14 | C13 | 103.4° | 95.8° |
| C15 | C20 | C19 | H18 | 180.0° | 179.8° |
| C20 | C15 | C14 | H12 | 135.5° | 24.2° |
| C20 | C15 | C14 | H13 | 17.6° | 144.2° |
| C20 | C15 | C16 | H14 | 179.0° | 179.7° |
| C15 | C20 | C19 | H17 | 179.3° | 179.7° |
| C14 | C13 | S21 | C02 | 123.8° | 120.0° |
| C14 | C13 | S21 | H11 | 118.2° | 120.0° |
| C14 | C13 | C02 | H11 | 121.9° | 120.0° |
| C14 | C13 | S21 | C22 | 176.7° | 68.0° |
| C14 | C13 | C02 | N03 | 121.7° | 85.3° |
| C14 | C13 | C02 | O01 | 58.5° | 95.0° |
| C13 | C14 | H12 | H13 | 116.6° | 120.0° |
| S21 | C13 | C02 | H11 | 116.0° | 120.0° |
| C13 | S21 | C22 | C23 | 70.4° | 175.2° |
| S21 | C13 | C02 | N03 | 116.3° | 154.7° |
| S21 | C13 | C02 | O01 | 63.5° | 25.0° |
| S21 | C13 | C14 | H12 | 71.3° | 65.8° |
| S21 | C13 | C14 | H13 | 46.6° | 54.2° |
| C13 | S21 | C22 | H19 | 50.1° | 55.2° |
| C13 | S21 | C22 | H20 | 169.1° | 64.8° |
| C02 | C13 | S21 | C22 | 52.9° | 172.0° |
| C13 | C02 | N03 | O01 | 179.8° | 179.8° |
| C13 | C02 | N03 | C04 | 179.8° | 179.7° |
| C02 | C13 | C14 | H12 | 167.2° | 54.2° |
| C02 | C13 | C14 | H13 | 75.0° | 174.3° |
| C13 | C02 | N03 | H33 | 0.3° | 0.2° |
| C24 | C23 | C22 | H21 | 118.1° | 120.0° |
| C24 | C23 | C22 | S21 | 163.0° | 175.0° |
| C23 | C24 | C25 | H22 | 121.0° | 120.0° |
| C23 | C24 | C25 | H23 | 121.0° | 120.0° |
| C23 | C24 | C25 | C26 | 85.8° | 89.7° |
| C23 | C24 | C25 | C30 | 94.5° | 90.0° |
| C24 | C23 | C22 | H19 | 42.4° | 55.0° |
| C24 | C23 | C22 | H20 | 76.5° | 65.0° |
| C23 | C24 | H22 | H23 | 116.8° | 120.0° |
| C24 | C23 | N31 | H34 | 97.0° | 95.0° |
| C23 | C22 | S21 | H19 | 120.5° | 120.0° |
| C23 | C22 | S21 | H20 | 120.5° | 120.0° |
| C22 | C23 | C24 | C25 | 66.6° | 175.0° |
| C23 | C22 | H19 | H20 | 118.4° | 119.9° |
| C22 | C23 | C24 | H22 | 172.5° | 65.0° |
| C22 | C23 | C24 | H23 | 54.5° | 55.0° |
| C22 | C23 | N31 | H34 | 26.5° | 25.1° |
| C20 | C19 | C18 | H16 | 180.0° | 179.8° |
| C22 | S21 | C13 | H11 | 65.1° | 52.0° |
| S21 | C22 | H19 | H20 | 118.4° | 120.1° |
| S21 | C22 | C23 | H21 | 44.9° | 55.0° |
| C24 | C25 | C26 | C27 | 179.8° | 180.0° |
| C24 | C25 | C26 | C30 | 179.8° | 179.7° |
| C24 | C25 | C30 | C29 | 179.9° | 179.8° |
| C25 | C24 | C23 | H21 | 51.6° | 55.0° |
| C25 | C24 | H22 | H23 | 116.8° | 120.0° |
| C24 | C25 | C26 | H24 | 0.1° | 0.0° |
| C24 | C25 | C30 | H28 | 0.2° | 0.0° |
| C27 | C26 | C25 | H24 | 180.0° | 180.0° |
| C26 | C27 | C28 | H25 | 180.0° | 179.9° |
| C27 | C26 | C25 | C30 | 0.1° | 0.3° |
| C26 | C27 | C28 | C29 | 0.1° | 0.1° |
| C26 | C27 | C28 | H26 | 179.9° | 180.0° |
| C25 | C26 | C27 | C28 | 0.1° | 0.0° |
| C26 | C25 | C30 | C29 | 0.1° | 0.5° |
| C26 | C25 | C24 | H22 | 35.2° | 150.3° |
| C26 | C25 | C24 | H23 | 153.2° | 30.3° |
| C25 | C26 | C27 | H25 | 179.9° | 179.9° |
| C26 | C25 | C30 | H28 | 179.9° | 179.7° |
| C11 | C12 | C07 | H10 | 180.0° | 180.0° |
| C12 | C11 | C10 | H9 | 180.0° | 179.7° |
| C11 | C12 | C07 | C06 | 179.5° | 180.0° |
| C11 | C12 | C07 | C08 | 0.0° | 0.3° |
| C12 | C11 | C10 | N09 | 0.0° | 0.3° |
| C12 | C11 | C10 | H8 | 179.9° | 179.9° |
| C07 | C12 | C11 | C10 | 0.0° | 0.0° |
| C12 | C07 | C06 | C08 | 179.5° | 179.7° |
| C12 | C07 | C06 | C05 | 98.7° | 90.3° |
| C12 | C07 | C08 | N09 | 0.1° | 0.3° |
| C12 | C07 | C06 | H5 | 22.3° | 149.7° |
| C12 | C07 | C06 | H6 | 140.2° | 29.7° |
| C12 | C07 | C08 | H7 | 180.0° | 179.7° |
| C07 | C12 | C11 | H9 | 180.0° | 179.7° |
| C11 | C10 | N09 | H8 | 180.0° | 179.7° |
| C11 | C10 | N09 | C08 | 0.0° | 0.2° |
| C10 | C11 | C12 | H10 | 180.0° | 180.0° |
| C02 | N03 | C04 | H33 | 180.0° | 180.0° |
| C02 | N03 | C04 | C05 | 75.1° | 180.0° |
| C02 | N03 | C04 | H1 | 163.9° | 60.0° |
| C02 | N03 | C04 | H2 | 45.8° | 60.0° |
| N03 | C02 | C13 | H11 | 0.3° | 34.7° |
| C04 | N03 | C02 | O01 | 0.4° | 0.0° |
| N03 | C04 | C05 | C06 | 108.9° | 180.0° |
| N03 | C04 | C05 | H1 | 120.9° | 120.0° |
| N03 | C04 | C05 | H2 | 120.9° | 120.0° |
| N03 | C04 | H1 | H2 | 117.1° | 120.0° |
| N03 | C04 | C05 | H3 | 12.1° | 60.0° |
| N03 | C04 | C05 | H4 | 130.2° | 60.1° |
| O01 | C02 | C13 | H11 | 179.5° | 145.0° |
| O01 | C02 | N03 | H33 | 179.5° | 180.0° |
| C27 | C28 | C29 | H26 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.1° | 0.2° |
| C28 | C27 | C26 | H24 | 179.9° | 180.0° |
| C27 | C28 | C29 | H27 | 179.9° | 180.0° |
| C25 | C30 | C29 | C28 | 0.1° | 0.4° |
| C25 | C30 | C29 | H28 | 180.0° | 179.8° |
| C30 | C25 | C24 | H22 | 144.6° | 30.0° |
| C30 | C25 | C24 | H23 | 26.6° | 150.0° |
| C30 | C25 | C26 | H24 | 179.9° | 179.7° |
| C25 | C30 | C29 | H27 | 179.9° | 179.7° |
| C07 | C06 | C05 | H5 | 121.1° | 120.0° |
| C07 | C06 | C05 | H6 | 121.1° | 120.0° |
| C07 | C06 | C05 | C04 | 25.8° | 180.0° |
| C06 | C07 | C08 | N09 | 179.5° | 180.0° |
| C07 | C06 | C05 | H3 | 146.8° | 60.0° |
| C07 | C06 | C05 | H4 | 95.1° | 60.1° |
| C07 | C06 | H5 | H6 | 116.7° | 120.0° |
| C06 | C07 | C08 | H7 | 0.5° | 0.0° |
| C06 | C07 | C12 | H10 | 0.5° | 0.0° |
| C05 | C06 | C07 | C08 | 81.8° | 90.0° |
| C06 | C05 | C04 | H3 | 121.0° | 120.0° |
| C06 | C05 | C04 | H4 | 120.9° | 119.9° |
| C06 | C05 | C04 | H1 | 12.1° | 60.0° |
| C06 | C05 | C04 | H2 | 130.2° | 60.0° |
| C06 | C05 | H3 | H4 | 117.0° | 120.0° |
| C05 | C06 | H5 | H6 | 116.6° | 120.0° |
| C07 | C08 | N09 | C10 | 0.0° | 0.1° |
| C07 | C08 | N09 | H7 | 180.0° | 179.9° |
| C08 | C07 | C06 | H5 | 157.2° | 30.0° |
| C08 | C07 | C06 | H6 | 39.3° | 150.0° |
| C08 | C07 | C12 | H10 | 180.0° | 179.7° |
| C05 | C04 | H1 | H2 | 117.1° | 120.0° |
| C04 | C05 | H3 | H4 | 117.0° | 120.0° |
| C04 | C05 | C06 | H5 | 95.3° | 60.0° |
| C04 | C05 | C06 | H6 | 146.9° | 60.0° |
| C05 | C04 | N03 | H33 | 104.9° | 0.0° |
| C10 | N09 | C08 | H7 | 180.0° | 180.0° |
| N09 | C10 | C11 | H9 | 180.0° | 179.9° |
| C28 | C29 | C30 | H27 | 180.0° | 179.8° |
| C29 | C28 | C27 | H25 | 179.9° | 180.0° |
| C28 | C29 | C30 | H28 | 179.9° | 179.8° |
| C30 | C29 | C28 | H26 | 179.9° | 179.8° |
| C08 | N09 | C10 | H8 | 179.9° | 179.9° |
| H1 | C04 | C05 | H3 | 133.1° | 60.0° |
| H1 | C04 | C05 | H4 | 108.9° | 180.0° |
| H1 | C04 | N03 | H33 | 16.0° | 120.0° |
| H2 | C04 | C05 | H3 | 108.8° | 180.0° |
| H2 | C04 | C05 | H4 | 9.3° | 59.9° |
| H2 | C04 | N03 | H33 | 134.2° | 120.0° |
| H3 | C05 | C06 | H5 | 25.7° | 180.0° |
| H3 | C05 | C06 | H6 | 92.1° | 60.0° |
| H4 | C05 | C06 | H5 | 143.8° | 59.9° |
| H4 | C05 | C06 | H6 | 26.0° | 180.0° |
| H8 | C10 | C11 | H9 | 0.0° | 0.4° |
| H9 | C11 | C12 | H10 | 0.0° | 0.3° |
| H11 | C13 | C14 | H12 | 45.1° | 174.2° |
| H11 | C13 | C14 | H13 | 163.0° | 65.7° |
| H14 | C16 | C17 | H15 | 0.4° | 0.1° |
| H15 | C17 | C18 | H16 | 0.1° | 0.0° |
| H16 | C18 | C19 | H17 | 0.0° | 0.1° |
| H17 | C19 | C20 | H18 | 0.7° | 0.1° |
| H19 | C22 | C23 | H21 | 75.7° | 65.0° |
| H20 | C22 | C23 | H21 | 165.4° | 175.0° |
| H21 | C23 | C24 | H22 | 69.4° | 175.0° |
| H21 | C23 | C24 | H23 | 172.6° | 65.0° |
| H21 | C23 | N31 | H34 | 144.0° | 145.1° |
| H24 | C26 | C27 | H25 | 0.1° | 0.1° |
| H25 | C27 | C28 | H26 | 0.1° | 0.0° |
| H26 | C28 | C29 | H27 | 0.1° | 0.0° |
| H27 | C29 | C30 | H28 | 0.1° | 0.1° |
| H29 | C35 | C36 | H30 | 0.1° | 0.0° |
| H30 | C36 | C37 | H31 | 0.1° | 0.0° |
