J6B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O31 | C3 | sing | 1.43Å | 1.44Å | |
| C4 | O5 | sing | 1.44Å | 1.41Å | |
| C4 | C3 | sing | 1.54Å | 1.51Å | |
| O5 | C1 | sing | 1.44Å | 1.44Å | |
| C3 | C2 | sing | 1.54Å | 1.54Å | |
| C1 | C2 | sing | 1.55Å | 1.51Å | |
| C1 | C7 | sing | 1.55Å | 1.52Å | |
| C2 | N6 | sing | 1.47Å | 1.50Å | |
| N39 | C7 | sing | 1.47Å | 1.47Å | |
| C7 | C8 | sing | 1.55Å | 1.52Å | |
| N6 | C8 | sing | 1.47Å | 1.46Å | |
| N6 | C12 | sing | 1.35Å | 1.34Å | |
| O13 | C12 | doub | 1.21Å | 1.23Å | |
| C12 | C11 | sing | 1.51Å | 1.53Å | |
| C11 | C14 | sing | 1.53Å | 1.53Å | |
| C11 | N15 | sing | 1.46Å | 1.45Å | |
| C14 | C17 | sing | 1.53Å | 1.53Å | |
| N15 | C16 | sing | 1.35Å | 1.34Å | |
| O20 | C16 | doub | 1.22Å | 1.22Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C16 | C21 | sing | 1.48Å | 1.51Å | |
| C26 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.39Å | Aromatic |
| C25 | C24 | doub | 1.40Å | 1.38Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| C24 | C27 | sing | 1.48Å | 1.49Å | |
| C23 | F39 | sing | 1.35Å | 1.33Å | |
| C37 | C36 | sing | 1.53Å | 1.51Å | |
| C37 | N32 | sing | 1.47Å | 1.46Å | |
| N31 | C27 | sing | 1.33Å | 1.37Å | Aromatic |
| N31 | C30 | doub | 1.30Å | 1.36Å | Aromatic |
| C27 | C28 | doub | 1.35Å | 1.40Å | Aromatic |
| N35 | C36 | sing | 1.47Å | 1.47Å | |
| N35 | C38 | sing | 1.47Å | 1.49Å | |
| N35 | C34 | sing | 1.47Å | 1.45Å | |
| C30 | N32 | sing | 1.38Å | 1.36Å | |
| C30 | S29 | sing | 1.76Å | 1.71Å | Aromatic |
| N32 | C33 | sing | 1.47Å | 1.47Å | |
| C28 | S29 | sing | 1.76Å | 1.73Å | Aromatic |
| C33 | C34 | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C33 | H14 | sing | 1.09Å | 1.10Å | |
| C33 | H15 | sing | 1.09Å | 1.10Å | |
| C34 | H16 | sing | 1.09Å | 1.10Å | |
| C34 | H17 | sing | 1.09Å | 1.10Å | |
| C4 | H18 | sing | 1.09Å | 1.10Å | |
| C4 | H19 | sing | 1.09Å | 1.10Å | |
| O31 | H20 | sing | 0.97Å | 0.95Å | |
| N39 | H21 | sing | 1.01Å | 1.00Å | |
| N39 | H22 | sing | 1.01Å | 1.00Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| N15 | H28 | sing | 0.97Å | 1.00Å | |
| C26 | H29 | sing | 1.08Å | 1.08Å | |
| C25 | H30 | sing | 1.08Å | 1.08Å | |
| C28 | H31 | sing | 1.08Å | 1.08Å | |
| C37 | H32 | sing | 1.09Å | 1.10Å | |
| C37 | H33 | sing | 1.09Å | 1.10Å | |
| C36 | H34 | sing | 1.09Å | 1.10Å | |
| C36 | H35 | sing | 1.09Å | 1.10Å | |
| C38 | H37 | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O31 | C3 | C4 | 103.4° | 110.6° |
| O31 | C3 | C2 | 115.1° | 110.5° |
| O31 | C3 | H3 | 110.5° | 110.4° |
| C3 | O31 | H20 | 109.5° | 114.0° |
| O5 | C4 | C3 | 100.1° | 104.8° |
| C4 | O5 | C1 | 114.2° | 105.6° |
| O5 | C4 | H18 | 111.7° | 110.4° |
| O5 | C4 | H19 | 111.7° | 110.4° |
| C4 | C3 | C2 | 109.0° | 104.2° |
| C4 | C3 | H3 | 109.5° | 110.5° |
| C3 | C4 | H18 | 111.8° | 110.4° |
| C3 | C4 | H19 | 111.8° | 110.3° |
| O5 | C1 | C2 | 106.9° | 104.8° |
| O5 | C1 | C7 | 112.6° | 108.3° |
| O5 | C1 | H1 | 110.9° | 113.6° |
| C3 | C2 | C1 | 101.0° | 104.0° |
| C3 | C2 | N6 | 114.2° | 109.3° |
| C3 | C2 | H2 | 111.6° | 112.4° |
| C2 | C3 | H3 | 109.2° | 110.5° |
| C2 | C1 | C7 | 106.5° | 103.0° |
| C1 | C2 | N6 | 105.2° | 107.2° |
| C2 | C1 | H1 | 109.9° | 113.2° |
| C1 | C2 | H2 | 112.0° | 111.8° |
| C1 | C7 | N39 | 114.6° | 110.9° |
| C1 | C7 | C8 | 104.1° | 101.9° |
| C7 | C1 | H1 | 109.8° | 113.1° |
| C1 | C7 | H4 | 109.4° | 110.9° |
| C2 | N6 | C8 | 109.6° | 108.8° |
| C2 | N6 | C12 | 125.7° | 125.6° |
| N6 | C2 | H2 | 112.2° | 111.7° |
| N39 | C7 | C8 | 108.9° | 111.0° |
| N39 | C7 | H4 | 110.2° | 110.9° |
| C7 | N39 | H21 | 109.5° | 111.0° |
| C7 | N39 | H22 | 109.5° | 111.0° |
| C7 | C8 | N6 | 104.6° | 104.8° |
| C8 | C7 | H4 | 109.4° | 110.9° |
| C7 | C8 | H5 | 110.7° | 110.4° |
| C7 | C8 | H6 | 110.7° | 110.4° |
| C8 | N6 | C12 | 124.6° | 125.6° |
| N6 | C8 | H5 | 110.7° | 110.4° |
| N6 | C8 | H6 | 110.7° | 110.4° |
| N6 | C12 | O13 | 121.6° | 120.0° |
| N6 | C12 | C11 | 120.0° | 120.0° |
| O13 | C12 | C11 | 118.3° | 120.0° |
| C12 | C11 | C14 | 109.7° | 109.5° |
| C12 | C11 | N15 | 106.8° | 109.5° |
| C12 | C11 | H7 | 109.5° | 109.5° |
| C14 | C11 | N15 | 110.6° | 109.4° |
| C11 | C14 | C17 | 113.9° | 109.5° |
| C14 | C11 | H7 | 109.6° | 109.5° |
| C11 | C14 | H8 | 108.3° | 109.5° |
| C11 | C14 | H9 | 108.4° | 109.4° |
| C11 | N15 | C16 | 121.7° | 120.0° |
| N15 | C11 | H7 | 110.7° | 109.5° |
| C11 | N15 | H28 | 119.1° | 120.0° |
| C14 | C17 | C19 | 110.1° | 109.5° |
| C14 | C17 | C18 | 110.8° | 109.5° |
| C17 | C14 | H8 | 108.3° | 109.5° |
| C17 | C14 | H9 | 108.3° | 109.4° |
| C14 | C17 | H24 | 108.3° | 109.5° |
| N15 | C16 | O20 | 119.9° | 120.0° |
| N15 | C16 | C21 | 118.2° | 120.0° |
| C16 | N15 | H28 | 119.1° | 120.0° |
| O20 | C16 | C21 | 121.1° | 120.0° |
| C19 | C17 | C18 | 110.8° | 109.4° |
| C17 | C19 | H10 | 109.5° | 109.5° |
| C17 | C19 | H11 | 109.5° | 109.5° |
| C17 | C19 | H12 | 109.5° | 109.4° |
| C19 | C17 | H24 | 108.4° | 109.5° |
| C18 | C17 | H24 | 108.3° | 109.4° |
| C17 | C18 | H25 | 109.5° | 109.5° |
| C17 | C18 | H26 | 109.5° | 109.4° |
| C17 | C18 | H27 | 109.5° | 109.5° |
| C16 | C21 | C26 | 118.8° | 120.0° |
| C16 | C21 | C22 | 121.3° | 120.0° |
| C21 | C26 | C25 | 120.8° | 120.0° |
| C26 | C21 | C22 | 119.9° | 120.0° |
| C21 | C26 | H29 | 119.6° | 120.0° |
| C26 | C25 | C24 | 119.5° | 120.1° |
| C25 | C26 | H29 | 119.6° | 120.0° |
| C26 | C25 | H30 | 120.2° | 120.0° |
| C21 | C22 | C23 | 119.2° | 120.0° |
| C21 | C22 | H13 | 120.4° | 120.0° |
| C25 | C24 | C23 | 119.7° | 120.0° |
| C25 | C24 | C27 | 116.2° | 120.0° |
| C24 | C25 | H30 | 120.2° | 120.0° |
| C22 | C23 | C24 | 120.9° | 120.0° |
| C22 | C23 | F39 | 117.9° | 120.0° |
| C23 | C22 | H13 | 120.4° | 120.0° |
| C23 | C24 | C27 | 124.0° | 120.0° |
| C24 | C23 | F39 | 121.2° | 120.0° |
| C24 | C27 | N31 | 122.2° | 122.4° |
| C24 | C27 | C28 | 124.2° | 122.4° |
| C36 | C37 | N32 | 109.6° | 109.3° |
| C37 | C36 | N35 | 111.9° | 109.4° |
| C36 | C37 | H32 | 109.4° | 109.5° |
| C36 | C37 | H33 | 109.4° | 109.5° |
| C37 | C36 | H34 | 108.9° | 109.5° |
| C37 | C36 | H35 | 108.9° | 109.4° |
| C37 | N32 | C30 | 118.5° | 111.0° |
| C37 | N32 | C33 | 123.4° | 110.9° |
| N32 | C37 | H32 | 109.4° | 109.5° |
| N32 | C37 | H33 | 109.4° | 109.5° |
| C27 | N31 | C30 | 112.2° | 116.9° |
| N31 | C27 | C28 | 113.4° | 115.2° |
| N31 | C30 | N32 | 123.4° | 125.3° |
| N31 | C30 | S29 | 113.3° | 109.5° |
| C27 | C28 | S29 | 110.7° | 108.3° |
| C27 | C28 | H31 | 124.7° | 125.8° |
| C36 | N35 | C38 | 107.3° | 111.0° |
| C36 | N35 | C34 | 109.0° | 110.9° |
| N35 | C36 | H34 | 108.9° | 109.5° |
| N35 | C36 | H35 | 108.9° | 109.5° |
| C38 | N35 | C34 | 107.7° | 111.0° |
| N35 | C38 | H37 | 109.5° | 109.5° |
| N35 | C38 | H38 | 109.4° | 109.5° |
| N35 | C38 | H39 | 109.5° | 109.5° |
| N35 | C34 | C33 | 113.3° | 109.4° |
| N35 | C34 | H16 | 108.5° | 109.5° |
| N35 | C34 | H17 | 108.5° | 109.5° |
| N32 | C30 | S29 | 123.1° | 125.3° |
| C30 | N32 | C33 | 117.5° | 111.0° |
| C30 | S29 | C28 | 90.4° | 90.1° |
| N32 | C33 | C34 | 114.1° | 109.4° |
| N32 | C33 | H14 | 108.3° | 109.5° |
| N32 | C33 | H15 | 108.3° | 109.5° |
| S29 | C28 | H31 | 124.7° | 125.8° |
| C34 | C33 | H14 | 108.3° | 109.5° |
| C34 | C33 | H15 | 108.3° | 109.5° |
| C33 | C34 | H16 | 108.5° | 109.5° |
| C33 | C34 | H17 | 108.5° | 109.5° |
| H5 | C8 | H6 | 109.4° | 110.4° |
| H8 | C14 | H9 | 109.5° | 109.5° |
| H10 | C19 | H11 | 109.5° | 109.5° |
| H10 | C19 | H12 | 109.5° | 109.5° |
| H11 | C19 | H12 | 109.5° | 109.4° |
| H14 | C33 | H15 | 109.5° | 109.5° |
| H16 | C34 | H17 | 109.5° | 109.4° |
| H18 | C4 | H19 | 109.5° | 110.4° |
| H21 | N39 | H22 | 109.4° | 110.9° |
| H25 | C18 | H26 | 109.5° | 109.4° |
| H25 | C18 | H27 | 109.5° | 109.5° |
| H26 | C18 | H27 | 109.5° | 109.5° |
| H32 | C37 | H33 | 109.4° | 109.5° |
| H34 | C36 | H35 | 109.4° | 109.5° |
| H37 | C38 | H38 | 109.5° | 109.5° |
| H37 | C38 | H39 | 109.5° | 109.4° |
| H38 | C38 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O31 | C3 | C4 | O5 | 92.9° | 143.3° |
| O31 | C3 | C4 | C2 | 122.9° | 118.7° |
| O31 | C3 | C4 | H3 | 117.8° | 122.5° |
| O31 | C3 | C2 | H3 | 124.9° | 122.5° |
| O31 | C3 | C2 | C1 | 91.0° | 119.9° |
| O31 | C3 | C2 | N6 | 156.7° | 125.9° |
| O31 | C3 | C2 | H2 | 28.1° | 1.2° |
| O31 | C3 | C4 | H18 | 25.6° | 97.8° |
| O31 | C3 | C4 | H19 | 148.7° | 24.5° |
| O5 | C4 | C3 | H18 | 118.5° | 118.9° |
| O5 | C4 | C3 | H19 | 118.5° | 118.8° |
| O5 | C4 | C3 | C2 | 30.0° | 24.6° |
| C4 | O5 | C1 | C2 | 10.2° | 39.7° |
| C4 | O5 | C1 | C7 | 106.4° | 149.1° |
| C4 | O5 | C1 | H1 | 130.0° | 84.4° |
| O5 | C4 | C3 | H3 | 149.4° | 94.1° |
| O5 | C4 | H18 | H19 | 124.4° | 122.4° |
| C3 | C4 | O5 | C1 | 24.7° | 40.5° |
| C4 | C3 | C2 | H3 | 119.6° | 118.7° |
| C4 | C3 | C2 | C1 | 24.5° | 1.0° |
| C4 | C3 | C2 | N6 | 87.7° | 115.3° |
| C4 | C3 | C2 | H2 | 143.7° | 120.1° |
| C3 | C4 | H18 | H19 | 124.4° | 122.3° |
| C4 | C3 | O31 | H20 | 180.0° | 65.1° |
| O5 | C1 | C2 | C3 | 9.2° | 22.8° |
| O5 | C1 | C2 | C7 | 120.6° | 113.2° |
| O5 | C1 | C2 | H1 | 120.5° | 124.4° |
| O5 | C1 | C7 | H1 | 124.2° | 126.9° |
| O5 | C1 | C2 | N6 | 109.8° | 92.9° |
| O5 | C1 | C7 | N39 | 28.3° | 41.9° |
| O5 | C1 | C7 | C8 | 90.5° | 76.3° |
| O5 | C1 | C2 | H2 | 128.1° | 144.3° |
| O5 | C1 | C7 | H4 | 152.6° | 165.6° |
| C1 | O5 | C4 | H18 | 143.1° | 159.3° |
| C1 | O5 | C4 | H19 | 93.8° | 78.3° |
| C3 | C2 | C1 | N6 | 119.0° | 115.7° |
| C3 | C2 | C1 | H2 | 118.9° | 121.5° |
| C3 | C2 | C1 | C7 | 129.8° | 136.0° |
| C3 | C2 | N6 | H2 | 128.3° | 125.0° |
| C3 | C2 | N6 | C8 | 100.0° | 109.2° |
| C3 | C2 | N6 | C12 | 83.7° | 70.9° |
| C3 | C2 | C1 | H1 | 111.3° | 101.6° |
| C2 | C3 | C4 | H18 | 148.5° | 143.4° |
| C2 | C3 | C4 | H19 | 88.4° | 94.3° |
| C2 | C3 | O31 | H20 | 61.3° | 180.0° |
| C2 | C1 | C7 | H1 | 119.0° | 122.5° |
| C1 | C2 | N6 | H2 | 122.0° | 122.8° |
| C2 | C1 | C7 | N39 | 145.2° | 152.5° |
| C2 | C1 | C7 | C8 | 26.3° | 34.3° |
| C1 | C2 | N6 | C8 | 9.8° | 3.0° |
| C1 | C2 | N6 | C12 | 166.5° | 177.0° |
| C1 | C2 | C3 | H3 | 144.1° | 117.7° |
| C2 | C1 | C7 | H4 | 90.5° | 83.8° |
| C7 | C1 | C2 | N6 | 10.8° | 20.3° |
| C1 | C7 | N39 | C8 | 116.1° | 112.5° |
| C1 | C7 | N39 | H4 | 123.9° | 123.7° |
| C1 | C7 | C8 | H4 | 116.9° | 118.1° |
| C1 | C7 | C8 | N6 | 32.0° | 37.0° |
| C7 | C1 | C2 | H2 | 111.3° | 102.5° |
| C1 | C7 | C8 | H5 | 87.2° | 155.9° |
| C1 | C7 | C8 | H6 | 151.3° | 81.8° |
| C1 | C7 | N39 | H21 | 180.0° | 180.0° |
| C1 | C7 | N39 | H22 | 60.0° | 56.1° |
| C2 | N6 | C8 | C7 | 26.3° | 25.3° |
| C2 | N6 | C8 | C12 | 176.3° | 179.9° |
| C2 | N6 | C12 | O13 | 11.4° | 0.0° |
| C2 | N6 | C12 | C11 | 171.0° | 180.0° |
| N6 | C2 | C1 | H1 | 129.7° | 142.7° |
| N6 | C2 | C3 | H3 | 31.8° | 3.4° |
| C2 | N6 | C8 | H5 | 93.0° | 144.1° |
| C2 | N6 | C8 | H6 | 145.5° | 93.6° |
| N39 | C7 | C8 | H4 | 120.5° | 123.7° |
| N39 | C7 | C8 | N6 | 154.7° | 155.2° |
| N39 | C7 | C1 | H1 | 95.9° | 85.0° |
| N39 | C7 | C8 | H5 | 35.5° | 85.9° |
| N39 | C7 | C8 | H6 | 86.1° | 36.3° |
| C7 | N39 | H21 | H22 | 120.0° | 123.9° |
| C7 | C8 | N6 | H5 | 119.2° | 118.9° |
| C7 | C8 | N6 | H6 | 119.2° | 118.8° |
| C7 | C8 | N6 | C12 | 150.0° | 154.7° |
| C8 | C7 | C1 | H1 | 145.3° | 156.9° |
| C7 | C8 | H5 | H6 | 122.3° | 122.3° |
| C8 | C7 | N39 | H21 | 63.9° | 67.5° |
| C8 | C7 | N39 | H22 | 56.1° | 56.4° |
| C8 | N6 | C12 | O13 | 164.4° | 180.0° |
| C8 | N6 | C12 | C11 | 13.2° | 0.1° |
| C8 | N6 | C2 | H2 | 131.8° | 125.8° |
| N6 | C8 | C7 | H4 | 84.8° | 81.1° |
| N6 | C8 | H5 | H6 | 122.3° | 122.3° |
| N6 | C12 | O13 | C11 | 177.6° | 180.0° |
| N6 | C12 | C11 | C14 | 113.8° | 60.0° |
| N6 | C12 | C11 | N15 | 126.3° | 180.0° |
| C12 | N6 | C2 | H2 | 44.5° | 54.1° |
| C12 | N6 | C8 | H5 | 90.7° | 35.8° |
| C12 | N6 | C8 | H6 | 30.8° | 86.5° |
| N6 | C12 | C11 | H7 | 6.5° | 60.0° |
| O13 | C12 | C11 | C14 | 68.5° | 120.0° |
| O13 | C12 | C11 | N15 | 51.3° | 0.0° |
| O13 | C12 | C11 | H7 | 171.2° | 120.0° |
| C12 | C11 | C14 | N15 | 117.5° | 120.0° |
| C12 | C11 | C14 | H7 | 120.2° | 120.0° |
| C12 | C11 | N15 | H7 | 119.1° | 120.0° |
| C12 | C11 | C14 | C17 | 179.6° | 175.0° |
| C12 | C11 | N15 | C16 | 78.8° | 155.0° |
| C12 | C11 | C14 | H8 | 58.9° | 64.9° |
| C12 | C11 | C14 | H9 | 59.8° | 55.1° |
| C12 | C11 | N15 | H28 | 101.2° | 25.0° |
| C14 | C11 | N15 | H7 | 121.6° | 120.0° |
| C11 | C14 | C17 | H8 | 120.6° | 120.1° |
| C11 | C14 | C17 | H9 | 120.7° | 119.9° |
| C14 | C11 | N15 | C16 | 161.9° | 85.0° |
| C11 | C14 | C17 | C19 | 168.3° | 175.0° |
| C11 | C14 | C17 | C18 | 68.7° | 65.0° |
| C11 | C14 | H8 | H9 | 118.0° | 120.0° |
| C11 | C14 | C17 | H24 | 49.9° | 55.0° |
| C14 | C11 | N15 | H28 | 18.1° | 95.0° |
| N15 | C11 | C14 | C17 | 62.1° | 65.0° |
| C11 | N15 | C16 | H28 | 180.0° | 180.0° |
| C11 | N15 | C16 | O20 | 10.3° | 0.0° |
| C11 | N15 | C16 | C21 | 159.8° | 180.0° |
| N15 | C11 | C14 | H8 | 58.6° | 55.0° |
| N15 | C11 | C14 | H9 | 177.3° | 175.0° |
| C14 | C17 | C19 | C18 | 123.0° | 120.0° |
| C14 | C17 | C19 | H24 | 118.3° | 120.0° |
| C14 | C17 | C18 | H24 | 118.6° | 120.0° |
| C17 | C14 | C11 | H7 | 60.2° | 55.0° |
| C17 | C14 | H8 | H9 | 118.0° | 120.0° |
| C14 | C17 | C19 | H10 | 180.0° | 60.0° |
| C14 | C17 | C19 | H11 | 60.0° | 179.9° |
| C14 | C17 | C19 | H12 | 60.0° | 60.0° |
| C14 | C17 | C18 | H25 | 180.0° | 60.0° |
| C14 | C17 | C18 | H26 | 60.0° | 180.0° |
| C14 | C17 | C18 | H27 | 60.0° | 60.0° |
| N15 | C16 | O20 | C21 | 169.8° | 180.0° |
| N15 | C16 | C21 | C26 | 143.2° | 0.3° |
| N15 | C16 | C21 | C22 | 34.3° | 180.0° |
| C16 | N15 | C11 | H7 | 40.3° | 35.0° |
| O20 | C16 | C21 | C26 | 26.8° | 179.7° |
| O20 | C16 | C21 | C22 | 155.7° | 0.0° |
| O20 | C16 | N15 | H28 | 169.7° | 180.0° |
| C19 | C17 | C18 | H24 | 118.8° | 120.0° |
| C19 | C17 | C14 | H8 | 47.6° | 55.0° |
| C19 | C17 | C14 | H9 | 71.1° | 65.1° |
| C17 | C19 | H10 | H11 | 120.0° | 120.1° |
| C17 | C19 | H10 | H12 | 120.0° | 120.0° |
| C17 | C19 | H11 | H12 | 120.0° | 120.0° |
| C19 | C17 | C18 | H25 | 57.4° | 180.0° |
| C19 | C17 | C18 | H26 | 62.6° | 60.0° |
| C19 | C17 | C18 | H27 | 177.4° | 60.1° |
| C18 | C17 | C14 | H8 | 170.6° | 175.0° |
| C18 | C17 | C14 | H9 | 51.9° | 54.9° |
| C18 | C17 | C19 | H10 | 57.0° | 60.0° |
| C18 | C17 | C19 | H11 | 177.0° | 60.0° |
| C18 | C17 | C19 | H12 | 63.0° | 180.0° |
| C17 | C18 | H25 | H26 | 120.0° | 120.0° |
| C17 | C18 | H25 | H27 | 120.0° | 120.0° |
| C17 | C18 | H26 | H27 | 120.0° | 120.0° |
| C16 | C21 | C26 | C22 | 177.5° | 179.7° |
| C16 | C21 | C26 | C25 | 177.0° | 180.0° |
| C16 | C21 | C22 | C23 | 177.2° | 180.0° |
| C16 | C21 | C22 | H13 | 2.8° | 0.1° |
| C21 | C16 | N15 | H28 | 20.2° | 0.0° |
| C16 | C21 | C26 | H29 | 3.0° | 0.0° |
| C21 | C26 | C25 | H29 | 180.0° | 180.0° |
| C21 | C26 | C25 | C24 | 0.8° | 0.0° |
| C26 | C21 | C22 | C23 | 0.3° | 0.3° |
| C26 | C21 | C22 | H13 | 179.7° | 179.8° |
| C21 | C26 | C25 | H30 | 179.1° | 180.0° |
| C25 | C26 | C21 | C22 | 0.5° | 0.3° |
| C26 | C25 | C24 | H30 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 0.9° | 0.3° |
| C26 | C25 | C24 | C27 | 178.1° | 180.0° |
| C21 | C22 | C23 | H13 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.3° | 0.0° |
| C21 | C22 | C23 | F39 | 179.4° | 180.0° |
| C22 | C21 | C26 | H29 | 179.5° | 179.7° |
| C25 | C24 | C23 | C22 | 0.7° | 0.3° |
| C25 | C24 | C23 | C27 | 177.0° | 179.6° |
| C25 | C24 | C23 | F39 | 179.0° | 179.7° |
| C25 | C24 | C27 | N31 | 14.2° | 0.6° |
| C25 | C24 | C27 | C28 | 160.7° | 179.7° |
| C24 | C25 | C26 | H29 | 179.1° | 180.0° |
| C22 | C23 | C24 | F39 | 179.7° | 179.9° |
| C22 | C23 | C24 | C27 | 177.7° | 180.0° |
| C23 | C24 | C27 | N31 | 168.7° | 179.8° |
| C23 | C24 | C27 | C28 | 16.5° | 0.1° |
| C24 | C23 | C22 | H13 | 179.7° | 179.9° |
| C23 | C24 | C25 | H30 | 179.1° | 179.7° |
| C27 | C24 | C23 | F39 | 2.0° | 0.1° |
| C24 | C27 | N31 | C28 | 175.4° | 179.7° |
| C24 | C27 | N31 | C30 | 177.9° | 179.9° |
| C24 | C27 | C28 | S29 | 176.6° | 179.9° |
| C27 | C24 | C25 | H30 | 1.8° | 0.0° |
| C24 | C27 | C28 | H31 | 3.4° | 0.0° |
| F39 | C23 | C22 | H13 | 0.6° | 0.0° |
| C36 | C37 | N32 | H32 | 120.0° | 119.9° |
| C36 | C37 | N32 | H33 | 120.0° | 119.9° |
| C37 | C36 | N35 | H34 | 120.4° | 120.0° |
| C37 | C36 | N35 | H35 | 120.4° | 119.9° |
| C37 | C36 | N35 | C38 | 177.1° | 176.8° |
| C37 | C36 | N35 | C34 | 66.6° | 59.3° |
| C36 | C37 | N32 | C30 | 160.1° | 176.8° |
| C36 | C37 | N32 | C33 | 29.2° | 59.3° |
| C36 | C37 | H32 | H33 | 119.9° | 120.1° |
| C37 | C36 | H34 | H35 | 118.8° | 120.0° |
| C37 | N32 | C30 | N31 | 0.2° | 56.3° |
| N32 | C37 | C36 | N35 | 50.3° | 58.4° |
| C37 | N32 | C30 | C33 | 171.3° | 123.8° |
| C37 | N32 | C30 | S29 | 174.1° | 123.8° |
| C37 | N32 | C33 | C34 | 22.0° | 59.3° |
| C37 | N32 | C33 | H14 | 98.6° | 179.3° |
| C37 | N32 | C33 | H15 | 142.7° | 60.6° |
| N32 | C37 | H32 | H33 | 119.9° | 120.1° |
| N32 | C37 | C36 | H34 | 70.1° | 61.5° |
| N32 | C37 | C36 | H35 | 170.7° | 178.4° |
| C27 | N31 | C30 | N32 | 177.4° | 179.8° |
| C27 | N31 | C30 | S29 | 2.6° | 0.1° |
| N31 | C27 | C28 | S29 | 1.3° | 0.2° |
| N31 | C27 | C28 | H31 | 178.7° | 179.7° |
| C30 | N31 | C27 | C28 | 2.5° | 0.2° |
| N31 | C30 | N32 | S29 | 174.3° | 179.9° |
| N31 | C30 | N32 | C33 | 171.5° | 179.9° |
| N31 | C30 | S29 | C28 | 1.5° | 0.0° |
| C27 | C28 | S29 | C30 | 0.1° | 0.1° |
| C27 | C28 | S29 | H31 | 180.0° | 179.9° |
| C36 | N35 | C38 | C34 | 117.2° | 123.8° |
| C36 | N35 | C34 | C33 | 57.4° | 59.3° |
| C36 | N35 | C34 | H16 | 63.2° | 179.3° |
| C36 | N35 | C34 | H17 | 177.9° | 60.7° |
| N35 | C36 | C37 | H32 | 69.7° | 178.4° |
| N35 | C36 | C37 | H33 | 170.3° | 61.5° |
| N35 | C36 | H34 | H35 | 118.9° | 120.1° |
| C36 | N35 | C38 | H37 | 180.0° | 60.0° |
| C36 | N35 | C38 | H38 | 60.0° | 180.0° |
| C36 | N35 | C38 | H39 | 60.0° | 60.0° |
| C38 | N35 | C34 | C33 | 173.5° | 176.8° |
| C38 | N35 | C34 | H16 | 52.9° | 56.8° |
| C38 | N35 | C34 | H17 | 65.9° | 63.2° |
| C38 | N35 | C36 | H34 | 62.5° | 63.2° |
| C38 | N35 | C36 | H35 | 56.7° | 56.9° |
| N35 | C38 | H37 | H38 | 120.0° | 120.0° |
| N35 | C38 | H37 | H39 | 120.0° | 120.0° |
| N35 | C38 | H38 | H39 | 120.0° | 120.0° |
| N35 | C34 | C33 | N32 | 35.0° | 58.4° |
| N35 | C34 | C33 | H16 | 120.6° | 120.0° |
| N35 | C34 | C33 | H17 | 120.6° | 120.0° |
| N35 | C34 | C33 | H14 | 85.7° | 178.4° |
| N35 | C34 | C33 | H15 | 155.7° | 61.6° |
| N35 | C34 | H16 | H17 | 118.2° | 120.1° |
| C34 | N35 | C36 | H34 | 53.8° | 60.7° |
| C34 | N35 | C36 | H35 | 173.0° | 179.3° |
| C34 | N35 | C38 | H37 | 62.8° | 176.2° |
| C34 | N35 | C38 | H38 | 57.3° | 56.2° |
| C34 | N35 | C38 | H39 | 177.2° | 63.8° |
| N32 | C30 | S29 | C28 | 176.4° | 179.9° |
| C30 | N32 | C33 | C34 | 167.1° | 176.9° |
| C30 | N32 | C33 | H14 | 72.2° | 56.9° |
| C30 | N32 | C33 | H15 | 46.5° | 63.2° |
| C30 | N32 | C37 | H32 | 79.9° | 56.9° |
| C30 | N32 | C37 | H33 | 40.0° | 63.2° |
| S29 | C30 | N32 | C33 | 2.8° | 0.0° |
| C30 | S29 | C28 | H31 | 179.9° | 179.8° |
| N32 | C33 | C34 | H14 | 120.7° | 120.0° |
| N32 | C33 | C34 | H15 | 120.7° | 120.0° |
| N32 | C33 | H14 | H15 | 117.9° | 120.1° |
| N32 | C33 | C34 | H16 | 85.6° | 178.4° |
| N32 | C33 | C34 | H17 | 155.5° | 61.6° |
| C33 | N32 | C37 | H32 | 90.9° | 179.3° |
| C33 | N32 | C37 | H33 | 149.2° | 60.6° |
| C34 | C33 | H14 | H15 | 117.9° | 120.0° |
| C33 | C34 | H16 | H17 | 118.3° | 120.0° |
| H1 | C1 | C2 | H2 | 7.6° | 20.0° |
| H1 | C1 | C7 | H4 | 28.4° | 38.7° |
| H2 | C2 | C3 | H3 | 96.7° | 121.2° |
| H3 | C3 | C4 | H18 | 92.2° | 24.7° |
| H3 | C3 | C4 | H19 | 30.9° | 147.0° |
| H3 | C3 | O31 | H20 | 62.9° | 57.5° |
| H4 | C7 | C8 | H5 | 155.9° | 37.8° |
| H4 | C7 | C8 | H6 | 34.4° | 160.1° |
| H4 | C7 | N39 | H21 | 56.1° | 56.3° |
| H4 | C7 | N39 | H22 | 176.1° | 179.8° |
| H7 | C11 | C14 | H8 | 179.1° | 175.0° |
| H7 | C11 | C14 | H9 | 60.4° | 64.9° |
| H7 | C11 | N15 | H28 | 139.7° | 145.0° |
| H8 | C14 | C17 | H24 | 70.8° | 65.0° |
| H9 | C14 | C17 | H24 | 170.5° | 174.9° |
| H10 | C19 | H11 | H12 | 120.0° | 120.0° |
| H10 | C19 | C17 | H24 | 61.7° | 180.0° |
| H11 | C19 | C17 | H24 | 58.3° | 59.9° |
| H12 | C19 | C17 | H24 | 178.3° | 60.0° |
| H14 | C33 | C34 | H16 | 153.8° | 61.6° |
| H14 | C33 | C34 | H17 | 34.9° | 58.4° |
| H15 | C33 | C34 | H16 | 35.1° | 58.4° |
| H15 | C33 | C34 | H17 | 83.8° | 178.4° |
| H24 | C17 | C18 | H25 | 61.4° | 60.0° |
| H24 | C17 | C18 | H26 | 178.6° | 60.0° |
| H24 | C17 | C18 | H27 | 58.6° | 180.0° |
| H25 | C18 | H26 | H27 | 120.0° | 120.0° |
| H29 | C26 | C25 | H30 | 0.9° | 0.0° |
| H32 | C37 | C36 | H34 | 169.9° | 58.4° |
| H32 | C37 | C36 | H35 | 50.7° | 61.7° |
| H33 | C37 | C36 | H34 | 50.0° | 178.5° |
| H33 | C37 | C36 | H35 | 69.2° | 58.4° |
| H37 | C38 | H38 | H39 | 120.0° | 120.0° |
