GR7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C34 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.41Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.42Å | Aromatic |
| O38 | C39 | sing | 1.43Å | 1.42Å | |
| O38 | C1 | sing | 1.36Å | 1.36Å | |
| C6 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C32 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | C31 | sing | 1.51Å | 1.54Å | |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| O8 | S7 | doub | 1.42Å | 1.55Å | |
| C31 | C18 | sing | 1.53Å | 1.54Å | |
| C2 | C3 | doub | 1.38Å | 1.42Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | S7 | sing | 1.76Å | 1.77Å | |
| C3 | C40 | sing | 1.51Å | 1.40Å | |
| S7 | O9 | doub | 1.42Å | 1.46Å | |
| S7 | N10 | sing | 1.68Å | 1.60Å | |
| C29 | C28 | sing | 1.54Å | 1.52Å | |
| C29 | C30 | sing | 1.57Å | 1.52Å | |
| C40 | O41 | sing | 1.43Å | 1.48Å | |
| C18 | N19 | sing | 1.47Å | 1.47Å | |
| C18 | C16 | sing | 1.53Å | 1.52Å | |
| C28 | O27 | sing | 1.43Å | 1.43Å | |
| C15 | N10 | sing | 1.47Å | 1.44Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| N10 | C11 | sing | 1.49Å | 1.43Å | |
| N19 | C20 | sing | 1.35Å | 1.33Å | |
| C16 | O17 | sing | 1.43Å | 1.44Å | |
| O21 | C20 | doub | 1.22Å | 1.26Å | |
| C20 | O22 | sing | 1.35Å | 1.35Å | |
| C30 | C26 | sing | 1.56Å | 1.52Å | |
| C30 | C23 | sing | 1.54Å | 1.53Å | |
| O41 | C42 | sing | 1.43Å | 1.44Å | |
| O27 | C26 | sing | 1.43Å | 1.43Å | |
| O22 | C23 | sing | 1.45Å | 1.44Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C26 | O25 | sing | 1.44Å | 1.43Å | |
| C23 | C24 | sing | 1.54Å | 1.55Å | |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C42 | C43 | sing | 1.51Å | 1.40Å | |
| O25 | C24 | sing | 1.43Å | 1.44Å | |
| C43 | C44 | doub | 1.31Å | 1.36Å | |
| C44 | C14 | sing | 1.51Å | 1.38Å | |
| C13 | C14 | sing | 1.53Å | 1.48Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| O17 | H7 | sing | 0.97Å | 0.95Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| N19 | H9 | sing | 0.97Å | 1.00Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C24 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C28 | H15 | sing | 1.09Å | 1.10Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C30 | H18 | sing | 1.09Å | 1.10Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.08Å | 1.08Å | |
| C33 | H22 | sing | 1.08Å | 1.08Å | |
| C34 | H23 | sing | 1.08Å | 1.08Å | |
| C35 | H24 | sing | 1.08Å | 1.08Å | |
| C36 | H25 | sing | 1.08Å | 1.08Å | |
| C39 | H26 | sing | 1.09Å | 1.10Å | |
| C39 | H27 | sing | 1.09Å | 1.10Å | |
| C39 | H28 | sing | 1.09Å | 1.10Å | |
| C11 | H29 | sing | 1.09Å | 1.10Å | |
| C11 | H30 | sing | 1.09Å | 1.10Å | |
| C12 | H31 | sing | 1.09Å | 1.10Å | |
| C12 | H32 | sing | 1.09Å | 1.10Å | |
| C13 | H33 | sing | 1.09Å | 1.10Å | |
| C13 | H34 | sing | 1.09Å | 1.10Å | |
| C14 | H35 | sing | 1.09Å | 1.10Å | |
| C14 | H36 | sing | 1.09Å | 1.10Å | |
| C40 | H37 | sing | 1.09Å | 1.10Å | |
| C40 | H38 | sing | 1.09Å | 1.10Å | |
| C42 | H39 | sing | 1.09Å | 1.10Å | |
| C42 | H40 | sing | 1.09Å | 1.10Å | |
| C43 | H41 | sing | 1.08Å | 1.08Å | |
| C44 | H42 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C35 | C34 | C33 | 121.8° | 120.0° |
| C34 | C35 | C36 | 120.3° | 120.0° |
| C35 | C34 | H23 | 119.1° | 119.9° |
| C34 | C35 | H24 | 119.9° | 120.1° |
| C34 | C33 | C32 | 117.3° | 120.0° |
| C34 | C33 | H22 | 121.4° | 120.0° |
| C33 | C34 | H23 | 119.1° | 120.0° |
| C35 | C36 | C37 | 118.5° | 119.9° |
| C36 | C35 | H24 | 119.9° | 120.0° |
| C35 | C36 | H25 | 120.7° | 120.0° |
| C33 | C32 | C37 | 121.8° | 120.0° |
| C33 | C32 | H21 | 119.1° | 120.0° |
| C32 | C33 | H22 | 121.4° | 120.0° |
| C36 | C37 | C32 | 119.5° | 120.0° |
| C36 | C37 | C31 | 119.6° | 119.9° |
| C37 | C36 | H25 | 120.8° | 120.1° |
| C39 | O38 | C1 | 112.3° | 117.0° |
| O38 | C39 | H26 | 109.5° | 109.5° |
| O38 | C39 | H27 | 109.4° | 109.4° |
| O38 | C39 | H28 | 109.5° | 109.5° |
| O38 | C1 | C6 | 118.9° | 120.1° |
| O38 | C1 | C2 | 124.4° | 120.1° |
| C1 | C6 | C5 | 121.5° | 120.0° |
| C6 | C1 | C2 | 116.6° | 119.9° |
| C1 | C6 | H3 | 119.3° | 120.0° |
| C6 | C5 | C4 | 123.0° | 120.0° |
| C6 | C5 | H2 | 118.5° | 119.9° |
| C5 | C6 | H3 | 119.3° | 120.0° |
| C32 | C37 | C31 | 120.5° | 120.0° |
| C37 | C32 | H21 | 119.1° | 120.0° |
| C37 | C31 | C18 | 110.5° | 109.5° |
| C37 | C31 | H19 | 109.2° | 109.5° |
| C37 | C31 | H20 | 109.2° | 109.5° |
| C1 | C2 | C3 | 121.7° | 119.9° |
| C1 | C2 | H1 | 119.1° | 120.0° |
| C5 | C4 | C3 | 116.0° | 120.1° |
| C5 | C4 | S7 | 117.8° | 119.9° |
| C4 | C5 | H2 | 118.5° | 120.0° |
| O8 | S7 | C4 | 102.2° | 106.6° |
| O8 | S7 | O9 | 116.1° | 123.3° |
| O8 | S7 | N10 | 105.7° | 106.6° |
| C31 | C18 | N19 | 108.0° | 109.5° |
| C31 | C18 | C16 | 112.3° | 109.4° |
| C31 | C18 | H8 | 108.8° | 109.5° |
| C18 | C31 | H19 | 109.2° | 109.5° |
| C18 | C31 | H20 | 109.2° | 109.5° |
| C2 | C3 | C4 | 121.2° | 120.1° |
| C2 | C3 | C40 | 114.6° | 120.0° |
| C3 | C2 | H1 | 119.1° | 120.0° |
| C3 | C4 | S7 | 126.1° | 120.0° |
| C4 | C3 | C40 | 124.2° | 120.0° |
| C4 | S7 | O9 | 107.8° | 106.6° |
| C4 | S7 | N10 | 112.6° | 106.2° |
| C3 | C40 | O41 | 102.9° | 109.4° |
| C3 | C40 | H37 | 111.1° | 109.5° |
| C3 | C40 | H38 | 111.1° | 109.5° |
| O9 | S7 | N10 | 112.2° | 106.5° |
| S7 | N10 | C15 | 122.6° | 122.9° |
| S7 | N10 | C11 | 116.7° | 114.2° |
| C28 | C29 | C30 | 103.4° | 102.8° |
| C29 | C28 | O27 | 103.8° | 107.7° |
| C29 | C28 | H14 | 110.8° | 109.8° |
| C29 | C28 | H15 | 110.9° | 109.9° |
| C28 | C29 | H16 | 111.0° | 110.8° |
| C28 | C29 | H17 | 111.0° | 110.8° |
| C29 | C30 | C26 | 103.4° | 100.5° |
| C29 | C30 | C23 | 118.2° | 109.3° |
| C30 | C29 | H16 | 111.0° | 110.7° |
| C30 | C29 | H17 | 111.0° | 110.7° |
| C29 | C30 | H18 | 109.9° | 113.9° |
| C40 | O41 | C42 | 117.6° | 114.0° |
| O41 | C40 | H37 | 111.1° | 109.5° |
| O41 | C40 | H38 | 111.1° | 109.5° |
| N19 | C18 | C16 | 108.9° | 109.5° |
| C18 | N19 | C20 | 125.3° | 120.0° |
| N19 | C18 | H8 | 109.7° | 109.5° |
| C18 | N19 | H9 | 117.3° | 120.0° |
| C18 | C16 | C15 | 113.0° | 109.5° |
| C18 | C16 | O17 | 109.2° | 109.5° |
| C18 | C16 | H6 | 107.9° | 109.4° |
| C16 | C18 | H8 | 109.0° | 109.5° |
| C28 | O27 | C26 | 111.0° | 110.4° |
| O27 | C28 | H14 | 110.9° | 109.8° |
| O27 | C28 | H15 | 110.9° | 109.8° |
| N10 | C15 | C16 | 111.4° | 109.5° |
| C15 | N10 | C11 | 119.6° | 122.9° |
| N10 | C15 | H4 | 109.0° | 109.5° |
| N10 | C15 | H5 | 109.0° | 109.4° |
| C15 | C16 | O17 | 109.9° | 109.5° |
| C16 | C15 | H4 | 109.0° | 109.5° |
| C16 | C15 | H5 | 109.0° | 109.5° |
| C15 | C16 | H6 | 107.8° | 109.5° |
| N10 | C11 | C12 | 114.0° | 108.0° |
| N10 | C11 | H29 | 108.3° | 109.7° |
| N10 | C11 | H30 | 108.3° | 109.8° |
| N19 | C20 | O21 | 129.6° | 120.0° |
| N19 | C20 | O22 | 113.3° | 120.0° |
| C20 | N19 | H9 | 117.4° | 120.0° |
| O17 | C16 | H6 | 108.9° | 109.5° |
| C16 | O17 | H7 | 109.5° | 114.0° |
| O21 | C20 | O22 | 117.0° | 120.0° |
| C20 | O22 | C23 | 115.5° | 117.0° |
| C26 | C30 | C23 | 105.4° | 102.7° |
| C30 | C26 | O27 | 106.8° | 105.7° |
| C30 | C26 | O25 | 105.8° | 104.0° |
| C30 | C26 | H13 | 110.7° | 112.7° |
| C26 | C30 | H18 | 109.8° | 114.5° |
| C30 | C23 | O22 | 110.2° | 110.4° |
| C30 | C23 | C24 | 100.5° | 104.7° |
| C30 | C23 | H10 | 112.7° | 110.4° |
| C23 | C30 | H18 | 109.7° | 114.5° |
| O41 | C42 | C43 | 110.6° | 109.5° |
| O41 | C42 | H39 | 109.2° | 109.5° |
| O41 | C42 | H40 | 109.2° | 109.5° |
| O27 | C26 | O25 | 109.1° | 108.8° |
| O27 | C26 | H13 | 112.1° | 112.5° |
| O22 | C23 | C24 | 105.5° | 110.4° |
| O22 | C23 | H10 | 114.3° | 110.4° |
| C11 | C12 | C13 | 109.4° | 109.5° |
| C12 | C11 | H29 | 108.3° | 109.8° |
| C12 | C11 | H30 | 108.3° | 109.8° |
| C11 | C12 | H31 | 109.5° | 109.5° |
| C11 | C12 | H32 | 109.5° | 109.5° |
| C26 | O25 | C24 | 109.4° | 108.0° |
| O25 | C26 | H13 | 112.1° | 112.6° |
| C23 | C24 | O25 | 102.1° | 107.4° |
| C24 | C23 | H10 | 112.5° | 110.4° |
| C23 | C24 | H11 | 111.3° | 109.9° |
| C23 | C24 | H12 | 111.3° | 109.9° |
| C12 | C13 | C14 | 115.3° | 109.5° |
| C13 | C12 | H31 | 109.5° | 109.5° |
| C13 | C12 | H32 | 109.5° | 109.5° |
| C12 | C13 | H33 | 108.0° | 109.5° |
| C12 | C13 | H34 | 108.0° | 109.5° |
| C42 | C43 | C44 | 126.4° | 120.0° |
| C43 | C42 | H39 | 109.2° | 109.4° |
| C43 | C42 | H40 | 109.2° | 109.5° |
| C42 | C43 | H41 | 116.8° | 120.0° |
| O25 | C24 | H11 | 111.3° | 109.8° |
| O25 | C24 | H12 | 111.3° | 110.0° |
| C43 | C44 | C14 | 131.4° | 120.0° |
| C44 | C43 | H41 | 116.8° | 120.0° |
| C43 | C44 | H42 | 114.3° | 120.1° |
| C44 | C14 | C13 | 121.4° | 109.5° |
| C44 | C14 | H35 | 106.4° | 109.5° |
| C44 | C14 | H36 | 106.4° | 109.4° |
| C14 | C44 | H42 | 114.3° | 119.9° |
| C14 | C13 | H33 | 108.0° | 109.4° |
| C14 | C13 | H34 | 108.0° | 109.5° |
| C13 | C14 | H35 | 106.4° | 109.5° |
| C13 | C14 | H36 | 106.4° | 109.4° |
| H4 | C15 | H5 | 109.5° | 109.5° |
| H11 | C24 | H12 | 109.5° | 109.8° |
| H14 | C28 | H15 | 109.5° | 109.8° |
| H16 | C29 | H17 | 109.5° | 110.8° |
| H19 | C31 | H20 | 109.5° | 109.5° |
| H26 | C39 | H27 | 109.5° | 109.5° |
| H26 | C39 | H28 | 109.4° | 109.5° |
| H27 | C39 | H28 | 109.5° | 109.5° |
| H29 | C11 | H30 | 109.5° | 109.8° |
| H31 | C12 | H32 | 109.5° | 109.5° |
| H33 | C13 | H34 | 109.5° | 109.5° |
| H35 | C14 | H36 | 109.5° | 109.5° |
| H37 | C40 | H38 | 109.5° | 109.5° |
| H39 | C42 | H40 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C35 | C34 | C33 | H23 | 180.0° | 180.0° |
| C34 | C35 | C36 | H24 | 180.0° | 180.0° |
| C35 | C34 | C33 | C32 | 8.9° | 0.0° |
| C34 | C35 | C36 | C37 | 8.0° | 0.0° |
| C35 | C34 | C33 | H22 | 171.1° | 179.9° |
| C34 | C35 | C36 | H25 | 172.0° | 180.0° |
| C33 | C34 | C35 | C36 | 10.2° | 0.0° |
| C34 | C33 | C32 | H22 | 180.0° | 179.9° |
| C34 | C33 | C32 | C37 | 6.0° | 0.1° |
| C34 | C33 | C32 | H21 | 174.0° | 179.8° |
| C33 | C34 | C35 | H24 | 169.8° | 180.0° |
| C35 | C36 | C37 | H25 | 180.0° | 180.0° |
| C35 | C36 | C37 | C32 | 5.2° | 0.0° |
| C35 | C36 | C37 | C31 | 178.6° | 179.7° |
| C36 | C35 | C34 | H23 | 169.8° | 180.0° |
| C33 | C32 | C37 | C36 | 4.3° | 0.0° |
| C33 | C32 | C37 | H21 | 180.0° | 179.7° |
| C33 | C32 | C37 | C31 | 177.7° | 179.7° |
| C32 | C33 | C34 | H23 | 171.1° | 179.9° |
| C36 | C37 | C32 | C31 | 173.3° | 179.7° |
| C36 | C37 | C31 | C18 | 69.3° | 90.3° |
| C36 | C37 | C31 | H19 | 50.8° | 149.8° |
| C36 | C37 | C31 | H20 | 170.6° | 29.7° |
| C36 | C37 | C32 | H21 | 175.7° | 179.7° |
| C37 | C36 | C35 | H24 | 172.0° | 180.0° |
| C39 | O38 | C1 | C6 | 176.8° | 0.2° |
| C39 | O38 | C1 | C2 | 3.1° | 180.0° |
| O38 | C39 | H26 | H27 | 120.0° | 119.9° |
| O38 | C39 | H26 | H28 | 120.0° | 120.0° |
| O38 | C39 | H27 | H28 | 120.0° | 120.0° |
| O38 | C1 | C6 | C2 | 179.9° | 179.8° |
| O38 | C1 | C6 | C5 | 180.0° | 179.7° |
| O38 | C1 | C2 | C3 | 180.0° | 179.8° |
| O38 | C1 | C2 | H1 | 0.0° | 0.2° |
| O38 | C1 | C6 | H3 | 0.0° | 0.2° |
| C1 | O38 | C39 | H26 | 180.0° | 180.0° |
| C1 | O38 | C39 | H27 | 60.0° | 60.0° |
| C1 | O38 | C39 | H28 | 60.0° | 60.0° |
| C1 | C6 | C5 | H3 | 180.0° | 179.9° |
| C1 | C6 | C5 | C4 | 0.0° | 0.1° |
| C6 | C1 | C2 | C3 | 0.1° | 0.0° |
| C6 | C1 | C2 | H1 | 179.9° | 180.0° |
| C1 | C6 | C5 | H2 | 180.0° | 179.9° |
| C5 | C6 | C1 | C2 | 0.1° | 0.0° |
| C6 | C5 | C4 | H2 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.0° | 0.0° |
| C6 | C5 | C4 | S7 | 180.0° | 179.9° |
| C32 | C37 | C31 | C18 | 104.0° | 90.0° |
| C32 | C37 | C31 | H19 | 135.8° | 30.0° |
| C32 | C37 | C31 | H20 | 16.1° | 150.0° |
| C37 | C32 | C33 | H22 | 174.0° | 180.0° |
| C32 | C37 | C36 | H25 | 174.8° | 180.0° |
| C37 | C31 | C18 | H19 | 120.1° | 120.0° |
| C37 | C31 | C18 | H20 | 120.1° | 120.0° |
| C37 | C31 | C18 | N19 | 59.4° | 65.0° |
| C37 | C31 | C18 | C16 | 179.5° | 175.1° |
| C37 | C31 | C18 | H8 | 59.7° | 55.1° |
| C37 | C31 | H19 | H20 | 119.5° | 120.0° |
| C31 | C37 | C32 | H21 | 2.3° | 0.0° |
| C31 | C37 | C36 | H25 | 1.4° | 0.3° |
| C1 | C2 | C3 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.1° |
| C1 | C2 | C3 | C40 | 180.0° | 180.0° |
| C2 | C1 | C6 | H3 | 179.9° | 180.0° |
| C5 | C4 | S7 | O8 | 29.5° | 168.5° |
| C5 | C4 | C3 | C2 | 0.0° | 0.1° |
| C5 | C4 | C3 | S7 | 179.9° | 179.9° |
| C5 | C4 | C3 | C40 | 180.0° | 180.0° |
| C5 | C4 | S7 | O9 | 152.3° | 35.2° |
| C5 | C4 | S7 | N10 | 83.4° | 78.1° |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| O8 | S7 | C4 | C3 | 150.4° | 11.6° |
| O8 | S7 | C4 | O9 | 122.8° | 133.3° |
| O8 | S7 | C4 | N10 | 112.9° | 113.4° |
| O8 | S7 | O9 | N10 | 121.6° | 123.5° |
| O8 | S7 | N10 | C15 | 25.6° | 129.5° |
| O8 | S7 | N10 | C11 | 166.6° | 50.5° |
| C31 | C18 | N19 | C16 | 122.2° | 120.0° |
| C31 | C18 | N19 | H8 | 118.5° | 120.0° |
| C31 | C18 | C16 | H8 | 120.7° | 120.0° |
| C31 | C18 | C16 | C15 | 68.1° | 65.0° |
| C31 | C18 | N19 | C20 | 128.4° | 85.0° |
| C31 | C18 | C16 | O17 | 54.5° | 55.0° |
| C31 | C18 | C16 | H6 | 172.8° | 175.0° |
| C31 | C18 | N19 | H9 | 51.6° | 95.0° |
| C18 | C31 | H19 | H20 | 119.6° | 120.0° |
| C2 | C3 | C4 | C40 | 180.0° | 180.0° |
| C2 | C3 | C4 | S7 | 180.0° | 180.0° |
| C2 | C3 | C40 | O41 | 66.7° | 55.0° |
| C2 | C3 | C40 | H37 | 174.4° | 65.0° |
| C2 | C3 | C40 | H38 | 52.2° | 175.0° |
| C3 | C4 | S7 | O9 | 27.6° | 144.9° |
| C3 | C4 | S7 | N10 | 96.7° | 101.8° |
| C4 | C3 | C40 | O41 | 113.3° | 125.0° |
| C4 | C3 | C2 | H1 | 180.0° | 179.9° |
| C3 | C4 | C5 | H2 | 180.0° | 180.0° |
| C4 | C3 | C40 | H37 | 5.6° | 115.0° |
| C4 | C3 | C40 | H38 | 127.7° | 5.0° |
| S7 | C4 | C3 | C40 | 0.0° | 0.0° |
| C4 | S7 | O9 | N10 | 124.5° | 113.1° |
| C4 | S7 | N10 | C15 | 85.2° | 16.2° |
| C4 | S7 | N10 | C11 | 82.6° | 163.8° |
| S7 | C4 | C5 | H2 | 0.0° | 0.1° |
| C3 | C40 | O41 | H37 | 118.9° | 120.0° |
| C3 | C40 | O41 | H38 | 118.9° | 120.0° |
| C3 | C40 | O41 | C42 | 173.6° | 169.5° |
| C40 | C3 | C2 | H1 | 0.0° | 0.0° |
| C3 | C40 | H37 | H38 | 123.0° | 120.0° |
| O9 | S7 | N10 | C15 | 153.0° | 97.1° |
| O9 | S7 | N10 | C11 | 39.2° | 82.9° |
| S7 | N10 | C15 | C11 | 167.5° | 180.0° |
| S7 | N10 | C15 | C16 | 121.5° | 112.0° |
| S7 | N10 | C11 | C12 | 81.0° | 121.2° |
| S7 | N10 | C15 | H4 | 118.2° | 8.0° |
| S7 | N10 | C15 | H5 | 1.3° | 128.0° |
| S7 | N10 | C11 | H29 | 39.6° | 1.6° |
| S7 | N10 | C11 | H30 | 158.3° | 119.1° |
| C28 | C29 | C30 | H16 | 119.0° | 118.3° |
| C28 | C29 | C30 | H17 | 119.0° | 118.3° |
| C29 | C28 | O27 | H14 | 119.1° | 119.6° |
| C29 | C28 | O27 | H15 | 119.1° | 119.6° |
| C28 | C29 | C30 | C26 | 30.8° | 33.0° |
| C28 | C29 | C30 | C23 | 85.2° | 140.6° |
| C29 | C28 | O27 | C26 | 23.6° | 0.9° |
| C29 | C28 | H14 | H15 | 122.6° | 121.0° |
| C28 | C29 | H16 | H17 | 122.8° | 123.4° |
| C28 | C29 | C30 | H18 | 147.9° | 89.9° |
| C30 | C29 | C28 | O27 | 33.4° | 21.3° |
| C29 | C30 | C26 | C23 | 124.7° | 112.8° |
| C29 | C30 | C26 | H18 | 117.2° | 122.4° |
| C29 | C30 | C23 | H18 | 126.9° | 129.2° |
| C29 | C30 | C26 | O27 | 17.3° | 34.8° |
| C29 | C30 | C23 | O22 | 33.5° | 30.4° |
| C29 | C30 | C26 | O25 | 133.4° | 79.7° |
| C29 | C30 | C23 | C24 | 144.5° | 88.4° |
| C29 | C30 | C23 | H10 | 95.6° | 152.8° |
| C29 | C30 | C26 | H13 | 104.9° | 158.1° |
| C30 | C29 | C28 | H14 | 85.7° | 98.3° |
| C30 | C29 | C28 | H15 | 152.5° | 140.8° |
| C30 | C29 | H16 | H17 | 122.8° | 123.2° |
| C40 | O41 | C42 | C43 | 100.3° | 93.9° |
| O41 | C40 | H37 | H38 | 123.1° | 120.0° |
| C40 | O41 | C42 | H39 | 19.9° | 146.1° |
| C40 | O41 | C42 | H40 | 139.5° | 26.1° |
| N19 | C18 | C16 | H8 | 119.7° | 120.0° |
| N19 | C18 | C16 | C15 | 172.3° | 175.0° |
| C18 | N19 | C20 | H9 | 180.0° | 180.0° |
| N19 | C18 | C16 | O17 | 65.1° | 64.9° |
| C18 | N19 | C20 | O21 | 0.8° | 0.0° |
| C18 | N19 | C20 | O22 | 176.4° | 180.0° |
| N19 | C18 | C16 | H6 | 53.2° | 55.1° |
| N19 | C18 | C31 | H19 | 179.5° | 55.0° |
| N19 | C18 | C31 | H20 | 60.7° | 175.0° |
| C18 | C16 | C15 | N10 | 77.0° | 174.8° |
| C18 | C16 | C15 | O17 | 122.3° | 120.1° |
| C18 | C16 | C15 | H6 | 119.1° | 119.9° |
| C16 | C18 | N19 | C20 | 109.4° | 155.0° |
| C18 | C16 | O17 | H6 | 117.6° | 120.0° |
| C18 | C16 | C15 | H4 | 162.8° | 65.2° |
| C18 | C16 | C15 | H5 | 43.3° | 54.9° |
| C18 | C16 | O17 | H7 | 180.0° | 60.0° |
| C16 | C18 | N19 | H9 | 70.6° | 24.9° |
| C16 | C18 | C31 | H19 | 60.4° | 65.0° |
| C16 | C18 | C31 | H20 | 59.3° | 55.0° |
| C28 | O27 | C26 | C30 | 4.0° | 23.1° |
| C28 | O27 | C26 | O25 | 109.9° | 88.0° |
| C28 | O27 | C26 | H13 | 125.4° | 146.5° |
| O27 | C28 | H14 | H15 | 122.6° | 120.8° |
| O27 | C28 | C29 | H16 | 85.6° | 139.6° |
| O27 | C28 | C29 | H17 | 152.4° | 97.0° |
| N10 | C15 | C16 | H4 | 120.3° | 120.0° |
| N10 | C15 | C16 | H5 | 120.3° | 119.9° |
| N10 | C15 | C16 | O17 | 160.8° | 65.1° |
| C15 | N10 | C11 | C12 | 110.7° | 58.7° |
| N10 | C15 | H4 | H5 | 119.1° | 120.0° |
| N10 | C15 | C16 | H6 | 42.1° | 54.9° |
| C15 | N10 | C11 | H29 | 128.6° | 178.4° |
| C15 | N10 | C11 | H30 | 9.9° | 60.9° |
| C16 | C15 | N10 | C11 | 70.9° | 68.0° |
| C15 | C16 | O17 | H6 | 117.9° | 120.0° |
| C16 | C15 | H4 | H5 | 119.1° | 120.1° |
| C15 | C16 | O17 | H7 | 55.5° | 60.0° |
| C15 | C16 | C18 | H8 | 52.6° | 55.0° |
| N10 | C11 | C12 | H29 | 120.6° | 119.6° |
| N10 | C11 | C12 | H30 | 120.7° | 119.7° |
| N10 | C11 | C12 | C13 | 162.1° | 126.3° |
| C11 | N10 | C15 | H4 | 49.3° | 172.0° |
| C11 | N10 | C15 | H5 | 168.8° | 52.0° |
| N10 | C11 | H29 | H30 | 117.9° | 120.7° |
| N10 | C11 | C12 | H31 | 42.1° | 113.8° |
| N10 | C11 | C12 | H32 | 78.0° | 6.3° |
| N19 | C20 | O21 | O22 | 177.1° | 180.0° |
| N19 | C20 | O22 | C23 | 169.2° | 180.0° |
| C20 | N19 | C18 | H8 | 9.9° | 35.0° |
| O17 | C16 | C15 | H4 | 40.5° | 54.9° |
| O17 | C16 | C15 | H5 | 79.0° | 174.9° |
| O17 | C16 | C18 | H8 | 175.2° | 175.0° |
| O21 | C20 | O22 | C23 | 13.2° | 0.0° |
| O21 | C20 | N19 | H9 | 179.2° | 180.0° |
| C20 | O22 | C23 | C30 | 110.7° | 153.2° |
| C20 | O22 | C23 | C24 | 141.6° | 91.5° |
| O22 | C20 | N19 | H9 | 3.6° | 0.0° |
| C20 | O22 | C23 | H10 | 17.5° | 30.9° |
| C26 | C30 | C23 | H18 | 118.2° | 124.8° |
| C30 | C26 | O27 | O25 | 113.9° | 111.1° |
| C30 | C26 | O27 | H13 | 121.4° | 123.4° |
| C26 | C30 | C23 | O22 | 81.4° | 136.5° |
| C30 | C26 | O25 | H13 | 120.7° | 122.3° |
| C26 | C30 | C23 | C24 | 29.6° | 17.7° |
| C30 | C26 | O25 | C24 | 18.1° | 37.0° |
| C26 | C30 | C23 | H10 | 149.5° | 101.2° |
| C26 | C30 | C29 | H16 | 88.3° | 151.3° |
| C26 | C30 | C29 | H17 | 149.8° | 85.4° |
| C23 | C30 | C26 | O27 | 107.4° | 147.5° |
| C30 | C23 | O22 | C24 | 107.7° | 115.3° |
| C30 | C23 | O22 | H10 | 128.2° | 122.4° |
| C23 | C30 | C26 | O25 | 8.7° | 33.0° |
| C30 | C23 | C24 | H10 | 120.1° | 118.9° |
| C30 | C23 | C24 | O25 | 39.8° | 3.5° |
| C30 | C23 | C24 | H11 | 78.9° | 116.0° |
| C30 | C23 | C24 | H12 | 158.7° | 123.1° |
| C23 | C30 | C26 | H13 | 130.3° | 89.2° |
| C23 | C30 | C29 | H16 | 155.8° | 101.1° |
| C23 | C30 | C29 | H17 | 33.8° | 22.3° |
| O41 | C42 | C43 | H39 | 120.1° | 120.0° |
| O41 | C42 | C43 | H40 | 120.2° | 120.0° |
| O41 | C42 | C43 | C44 | 97.6° | 99.4° |
| C42 | O41 | C40 | H37 | 54.6° | 70.5° |
| C42 | O41 | C40 | H38 | 67.5° | 49.6° |
| O41 | C42 | H39 | H40 | 119.5° | 120.0° |
| O41 | C42 | C43 | H41 | 82.4° | 80.6° |
| O27 | C26 | O25 | H13 | 124.7° | 125.5° |
| O27 | C26 | O25 | C24 | 132.7° | 149.2° |
| C26 | O27 | C28 | H14 | 95.5° | 120.5° |
| C26 | O27 | C28 | H15 | 142.7° | 118.7° |
| O27 | C26 | C30 | H18 | 134.5° | 87.7° |
| O22 | C23 | C24 | H10 | 125.3° | 122.3° |
| O22 | C23 | C24 | O25 | 74.8° | 115.3° |
| O22 | C23 | C24 | H11 | 166.4° | 125.2° |
| O22 | C23 | C24 | H12 | 44.0° | 4.3° |
| O22 | C23 | C30 | H18 | 160.4° | 98.7° |
| C11 | C12 | C13 | H31 | 120.0° | 120.0° |
| C11 | C12 | C13 | H32 | 120.0° | 120.0° |
| C11 | C12 | C13 | C14 | 88.9° | 135.7° |
| C12 | C11 | H29 | H30 | 117.9° | 120.7° |
| C11 | C12 | H31 | H32 | 120.1° | 120.0° |
| C11 | C12 | C13 | H33 | 32.0° | 15.7° |
| C11 | C12 | C13 | H34 | 150.3° | 104.3° |
| C26 | O25 | C24 | C23 | 37.1° | 25.7° |
| C26 | O25 | C24 | H11 | 81.7° | 93.8° |
| C26 | O25 | C24 | H12 | 155.9° | 145.2° |
| O25 | C26 | C30 | H18 | 109.4° | 157.8° |
| C23 | C24 | O25 | H11 | 118.8° | 119.5° |
| C23 | C24 | O25 | H12 | 118.8° | 119.6° |
| C23 | C24 | H11 | H12 | 123.4° | 121.0° |
| C24 | C23 | C30 | H18 | 88.6° | 142.4° |
| C12 | C13 | C14 | C44 | 22.8° | 81.7° |
| C12 | C13 | C14 | H33 | 120.9° | 120.0° |
| C12 | C13 | C14 | H34 | 120.9° | 120.0° |
| C13 | C12 | C11 | H29 | 77.3° | 6.6° |
| C13 | C12 | C11 | H30 | 41.4° | 114.1° |
| C13 | C12 | H31 | H32 | 120.0° | 120.0° |
| C12 | C13 | H33 | H34 | 117.3° | 120.0° |
| C12 | C13 | C14 | H35 | 98.8° | 158.2° |
| C12 | C13 | C14 | H36 | 144.5° | 38.2° |
| C42 | C43 | C44 | H41 | 180.0° | 180.0° |
| C42 | C43 | C44 | C14 | 176.2° | 180.0° |
| C43 | C42 | H39 | H40 | 119.5° | 120.0° |
| C42 | C43 | C44 | H42 | 3.8° | 0.0° |
| O25 | C24 | C23 | H10 | 160.0° | 122.3° |
| O25 | C24 | H11 | H12 | 123.4° | 121.0° |
| C24 | O25 | C26 | H13 | 102.6° | 85.3° |
| C43 | C44 | C14 | H42 | 180.0° | 180.0° |
| C43 | C44 | C14 | C13 | 93.2° | 131.8° |
| C43 | C44 | C14 | H35 | 145.1° | 108.1° |
| C43 | C44 | C14 | H36 | 28.5° | 11.8° |
| C44 | C43 | C42 | H39 | 22.5° | 140.6° |
| C44 | C43 | C42 | H40 | 142.2° | 20.6° |
| C44 | C14 | C13 | H35 | 121.6° | 120.1° |
| C44 | C14 | C13 | H36 | 121.7° | 119.9° |
| C44 | C14 | C13 | H33 | 98.1° | 38.2° |
| C44 | C14 | C13 | H34 | 143.7° | 158.2° |
| C44 | C14 | H35 | H36 | 114.6° | 119.9° |
| C14 | C44 | C43 | H41 | 3.8° | 0.1° |
| C14 | C13 | C12 | H31 | 151.2° | 104.4° |
| C14 | C13 | C12 | H32 | 31.1° | 15.6° |
| C14 | C13 | H33 | H34 | 117.3° | 120.0° |
| C13 | C14 | H35 | H36 | 114.7° | 120.0° |
| C13 | C14 | C44 | H42 | 86.8° | 48.2° |
| H2 | C5 | C6 | H3 | 0.0° | 0.0° |
| H4 | C15 | C16 | H6 | 78.1° | 174.9° |
| H5 | C15 | C16 | H6 | 162.4° | 65.1° |
| H6 | C16 | O17 | H7 | 62.4° | 180.0° |
| H6 | C16 | C18 | H8 | 66.5° | 65.0° |
| H8 | C18 | N19 | H9 | 170.2° | 144.9° |
| H8 | C18 | C31 | H19 | 60.4° | 175.0° |
| H8 | C18 | C31 | H20 | 179.8° | 65.0° |
| H10 | C23 | C24 | H11 | 41.2° | 2.9° |
| H10 | C23 | C24 | H12 | 81.2° | 118.1° |
| H10 | C23 | C30 | H18 | 31.3° | 23.6° |
| H13 | C26 | C30 | H18 | 12.3° | 35.6° |
| H14 | C28 | C29 | H16 | 155.3° | 20.0° |
| H14 | C28 | C29 | H17 | 33.3° | 143.5° |
| H15 | C28 | C29 | H16 | 33.5° | 100.9° |
| H15 | C28 | C29 | H17 | 88.4° | 22.5° |
| H16 | C29 | C30 | H18 | 28.9° | 28.5° |
| H17 | C29 | C30 | H18 | 93.0° | 151.8° |
| H21 | C32 | C33 | H22 | 6.0° | 0.3° |
| H22 | C33 | C34 | H23 | 8.9° | 0.0° |
| H23 | C34 | C35 | H24 | 10.2° | 0.0° |
| H24 | C35 | C36 | H25 | 8.0° | 0.0° |
| H26 | C39 | H27 | H28 | 120.0° | 120.1° |
| H29 | C11 | C12 | H31 | 162.8° | 126.6° |
| H29 | C11 | C12 | H32 | 42.7° | 113.4° |
| H30 | C11 | C12 | H31 | 78.5° | 5.9° |
| H30 | C11 | C12 | H32 | 161.4° | 125.9° |
| H31 | C12 | C13 | H33 | 88.0° | 135.7° |
| H31 | C12 | C13 | H34 | 30.3° | 15.7° |
| H32 | C12 | C13 | H33 | 151.9° | 104.3° |
| H32 | C12 | C13 | H34 | 89.8° | 135.7° |
| H33 | C13 | C14 | H35 | 140.3° | 81.8° |
| H33 | C13 | C14 | H36 | 23.6° | 158.2° |
| H34 | C13 | C14 | H35 | 22.0° | 38.2° |
| H34 | C13 | C14 | H36 | 94.7° | 81.8° |
| H35 | C14 | C44 | H42 | 34.9° | 71.9° |
| H36 | C14 | C44 | H42 | 151.5° | 168.2° |
| H39 | C42 | C43 | H41 | 157.5° | 39.4° |
| H40 | C42 | C43 | H41 | 37.8° | 159.4° |
| H41 | C43 | C44 | H42 | 176.2° | 179.9° |
