98N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | sing | 1.53Å | 1.55Å | |
| F37 | C35 | sing | 1.40Å | 1.36Å | |
| C11 | C10 | sing | 1.53Å | 1.56Å | |
| C11 | C13 | sing | 1.53Å | 1.56Å | |
| F36 | C35 | sing | 1.40Å | 1.35Å | |
| C32 | C35 | sing | 1.53Å | 1.54Å | |
| C32 | C33 | sing | 1.53Å | 1.55Å | |
| C32 | C31 | sing | 1.53Å | 1.55Å | |
| C35 | F38 | sing | 1.40Å | 1.36Å | |
| C10 | N9 | sing | 1.48Å | 1.49Å | |
| C10 | C2 | sing | 1.51Å | 1.51Å | |
| C28 | C29 | sing | 1.53Å | 1.55Å | |
| C28 | N9 | sing | 1.47Å | 1.48Å | |
| C34 | C33 | sing | 1.53Å | 1.54Å | |
| C34 | C29 | sing | 1.53Å | 1.55Å | |
| C30 | C31 | sing | 1.53Å | 1.55Å | |
| C30 | C29 | sing | 1.53Å | 1.57Å | |
| N9 | C8 | sing | 1.48Å | 1.49Å | |
| N3 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| N3 | C4 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C8 | C1 | sing | 1.51Å | 1.50Å | |
| C1 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C7 | sing | 1.48Å | 1.50Å | |
| N15 | C7 | sing | 1.35Å | 1.35Å | |
| N15 | C16 | sing | 1.47Å | 1.45Å | |
| C7 | O14 | doub | 1.22Å | 1.22Å | |
| C22 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.51Å | 1.54Å | |
| C21 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | N18 | doub | 1.32Å | 1.35Å | Aromatic |
| O27 | S23 | doub | 1.42Å | 1.45Å | |
| C20 | S23 | sing | 1.76Å | 1.78Å | |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| N18 | C19 | sing | 1.32Å | 1.35Å | Aromatic |
| C25 | C24 | sing | 1.53Å | 1.55Å | |
| S23 | C24 | sing | 1.81Å | 1.81Å | |
| S23 | O26 | doub | 1.42Å | 1.45Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C4 | H23 | sing | 1.08Å | 1.08Å | |
| C6 | H24 | sing | 1.08Å | 1.08Å | |
| C8 | H25 | sing | 1.09Å | 1.10Å | |
| C8 | H26 | sing | 1.09Å | 1.10Å | |
| C10 | H28 | sing | 1.09Å | 1.10Å | |
| N15 | H29 | sing | 0.97Å | 1.00Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H35 | sing | 1.09Å | 1.10Å | |
| C34 | H36 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | C10 | 113.0° | 109.5° |
| C12 | C11 | C13 | 109.9° | 109.4° |
| C12 | C11 | H1 | 107.3° | 109.5° |
| C11 | C12 | H2 | 109.5° | 109.5° |
| C11 | C12 | H3 | 109.5° | 109.5° |
| C11 | C12 | H4 | 109.4° | 109.4° |
| F37 | C35 | F36 | 108.0° | 109.5° |
| F37 | C35 | C32 | 108.7° | 109.5° |
| F37 | C35 | F38 | 110.8° | 109.4° |
| C10 | C11 | C13 | 111.9° | 109.5° |
| C11 | C10 | N9 | 110.6° | 110.2° |
| C11 | C10 | C2 | 108.4° | 110.2° |
| C10 | C11 | H1 | 107.2° | 109.5° |
| C11 | C10 | H28 | 111.6° | 110.2° |
| C13 | C11 | H1 | 107.3° | 109.4° |
| C11 | C13 | H5 | 109.5° | 109.5° |
| C11 | C13 | H6 | 109.5° | 109.5° |
| C11 | C13 | H7 | 109.5° | 109.5° |
| F36 | C35 | C32 | 111.1° | 109.5° |
| F36 | C35 | F38 | 109.4° | 109.4° |
| C35 | C32 | C33 | 109.0° | 109.5° |
| C35 | C32 | C31 | 113.2° | 109.5° |
| C32 | C35 | F38 | 108.8° | 109.5° |
| C35 | C32 | H32 | 108.4° | 109.5° |
| C33 | C32 | C31 | 109.5° | 109.5° |
| C32 | C33 | C34 | 108.3° | 109.4° |
| C33 | C32 | H32 | 108.3° | 109.5° |
| C32 | C33 | H33 | 109.7° | 109.4° |
| C32 | C33 | H34 | 109.8° | 109.4° |
| C32 | C31 | C30 | 107.4° | 109.5° |
| C32 | C31 | H30 | 109.9° | 109.5° |
| C32 | C31 | H31 | 110.0° | 109.5° |
| C31 | C32 | H32 | 108.2° | 109.5° |
| N9 | C10 | C2 | 100.5° | 105.7° |
| C10 | N9 | C28 | 108.9° | 111.1° |
| C10 | N9 | C8 | 112.0° | 104.0° |
| N9 | C10 | H28 | 112.8° | 110.2° |
| C10 | C2 | N3 | 125.7° | 131.4° |
| C10 | C2 | C1 | 111.9° | 108.0° |
| C2 | C10 | H28 | 112.4° | 110.3° |
| C29 | C28 | N9 | 110.0° | 109.5° |
| C28 | C29 | C34 | 106.8° | 109.5° |
| C28 | C29 | C30 | 110.6° | 109.5° |
| C29 | C28 | H18 | 109.3° | 109.5° |
| C29 | C28 | H19 | 109.4° | 109.4° |
| C28 | C29 | H20 | 108.3° | 109.5° |
| C28 | N9 | C8 | 109.3° | 111.0° |
| N9 | C28 | H18 | 109.3° | 109.5° |
| N9 | C28 | H19 | 109.3° | 109.5° |
| C33 | C34 | C29 | 112.3° | 109.5° |
| C34 | C33 | H33 | 109.8° | 109.5° |
| C34 | C33 | H34 | 109.7° | 109.5° |
| C33 | C34 | H35 | 108.7° | 109.4° |
| C33 | C34 | H36 | 108.8° | 109.4° |
| C34 | C29 | C30 | 114.5° | 109.5° |
| C34 | C29 | H20 | 108.3° | 109.5° |
| C29 | C34 | H35 | 108.8° | 109.5° |
| C29 | C34 | H36 | 108.7° | 109.5° |
| C31 | C30 | C29 | 111.9° | 109.5° |
| C31 | C30 | H21 | 108.9° | 109.5° |
| C31 | C30 | H22 | 108.9° | 109.5° |
| C30 | C31 | H30 | 110.0° | 109.5° |
| C30 | C31 | H31 | 110.0° | 109.4° |
| C30 | C29 | H20 | 108.1° | 109.5° |
| C29 | C30 | H21 | 108.9° | 109.5° |
| C29 | C30 | H22 | 108.9° | 109.5° |
| N9 | C8 | C1 | 101.7° | 105.7° |
| N9 | C8 | H25 | 111.4° | 110.2° |
| N9 | C8 | H26 | 111.4° | 110.3° |
| C2 | N3 | C4 | 118.5° | 122.1° |
| N3 | C2 | C1 | 122.3° | 120.6° |
| N3 | C4 | C5 | 121.4° | 120.7° |
| N3 | C4 | H23 | 119.3° | 119.7° |
| C2 | C1 | C8 | 110.2° | 108.4° |
| C2 | C1 | C6 | 120.9° | 119.6° |
| C4 | C5 | C6 | 120.6° | 118.8° |
| C4 | C5 | C7 | 119.4° | 120.6° |
| C5 | C4 | H23 | 119.3° | 119.7° |
| C8 | C1 | C6 | 128.8° | 132.0° |
| C1 | C8 | H25 | 111.4° | 110.2° |
| C1 | C8 | H26 | 111.3° | 110.2° |
| C1 | C6 | C5 | 116.2° | 118.3° |
| C1 | C6 | H24 | 121.9° | 120.9° |
| C6 | C5 | C7 | 120.0° | 120.6° |
| C5 | C6 | H24 | 121.9° | 120.8° |
| C5 | C7 | N15 | 118.3° | 120.0° |
| C5 | C7 | O14 | 118.2° | 120.0° |
| C7 | N15 | C16 | 119.7° | 120.0° |
| N15 | C7 | O14 | 123.4° | 120.0° |
| C7 | N15 | H29 | 120.1° | 120.0° |
| N15 | C16 | C17 | 108.0° | 109.4° |
| N15 | C16 | H8 | 109.8° | 109.5° |
| N15 | C16 | H9 | 109.8° | 109.5° |
| C16 | N15 | H29 | 120.2° | 120.0° |
| C21 | C22 | C17 | 120.1° | 119.1° |
| C22 | C21 | C20 | 118.5° | 118.4° |
| C22 | C21 | H11 | 120.7° | 120.8° |
| C21 | C22 | H12 | 120.0° | 120.4° |
| C22 | C17 | C16 | 121.5° | 119.6° |
| C22 | C17 | N18 | 119.9° | 120.8° |
| C17 | C22 | H12 | 120.0° | 120.4° |
| C16 | C17 | N18 | 118.6° | 119.6° |
| C17 | C16 | H8 | 109.8° | 109.4° |
| C17 | C16 | H9 | 109.8° | 109.5° |
| C21 | C20 | S23 | 121.5° | 120.4° |
| C21 | C20 | C19 | 119.3° | 119.2° |
| C20 | C21 | H11 | 120.7° | 120.8° |
| C17 | N18 | C19 | 121.1° | 121.7° |
| O27 | S23 | C20 | 109.2° | 104.3° |
| O27 | S23 | C24 | 111.0° | 110.5° |
| O27 | S23 | O26 | 117.1° | 121.0° |
| S23 | C20 | C19 | 119.1° | 120.4° |
| C20 | S23 | C24 | 103.2° | 104.5° |
| C20 | S23 | O26 | 107.1° | 104.3° |
| C20 | C19 | N18 | 121.2° | 120.7° |
| C20 | C19 | H10 | 119.4° | 119.6° |
| N18 | C19 | H10 | 119.4° | 119.6° |
| C25 | C24 | S23 | 112.5° | 109.5° |
| C25 | C24 | H13 | 108.7° | 109.5° |
| C25 | C24 | H14 | 108.7° | 109.5° |
| C24 | C25 | H15 | 109.5° | 109.5° |
| C24 | C25 | H16 | 109.5° | 109.5° |
| C24 | C25 | H17 | 109.5° | 109.5° |
| C24 | S23 | O26 | 108.3° | 110.5° |
| S23 | C24 | H13 | 108.7° | 109.5° |
| S23 | C24 | H14 | 108.7° | 109.5° |
| H2 | C12 | H3 | 109.5° | 109.5° |
| H2 | C12 | H4 | 109.5° | 109.5° |
| H3 | C12 | H4 | 109.5° | 109.4° |
| H5 | C13 | H6 | 109.5° | 109.5° |
| H5 | C13 | H7 | 109.5° | 109.5° |
| H6 | C13 | H7 | 109.5° | 109.5° |
| H8 | C16 | H9 | 109.5° | 109.5° |
| H13 | C24 | H14 | 109.5° | 109.5° |
| H15 | C25 | H16 | 109.5° | 109.4° |
| H15 | C25 | H17 | 109.4° | 109.4° |
| H16 | C25 | H17 | 109.5° | 109.5° |
| H18 | C28 | H19 | 109.5° | 109.5° |
| H21 | C30 | H22 | 109.5° | 109.5° |
| H25 | C8 | H26 | 109.5° | 110.1° |
| H30 | C31 | H31 | 109.5° | 109.4° |
| H33 | C33 | H34 | 109.5° | 109.5° |
| H35 | C34 | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | C10 | C13 | 124.6° | 120.0° |
| C12 | C11 | C10 | H1 | 118.1° | 120.1° |
| C12 | C11 | C13 | H1 | 116.4° | 120.0° |
| C12 | C11 | C10 | N9 | 93.7° | 65.1° |
| C12 | C11 | C10 | C2 | 157.0° | 51.3° |
| C11 | C12 | H2 | H3 | 120.0° | 120.1° |
| C11 | C12 | H2 | H4 | 120.0° | 119.9° |
| C11 | C12 | H3 | H4 | 120.0° | 119.9° |
| C12 | C11 | C13 | H5 | 180.0° | 180.0° |
| C12 | C11 | C13 | H6 | 60.0° | 60.0° |
| C12 | C11 | C13 | H7 | 60.0° | 60.0° |
| C12 | C11 | C10 | H28 | 32.7° | 173.1° |
| F37 | C35 | F36 | C32 | 119.2° | 120.1° |
| F37 | C35 | F36 | F38 | 120.7° | 119.9° |
| F37 | C35 | C32 | F38 | 120.8° | 120.0° |
| F37 | C35 | C32 | C33 | 78.5° | 60.0° |
| F37 | C35 | C32 | C31 | 159.3° | 180.0° |
| F37 | C35 | C32 | H32 | 39.3° | 60.1° |
| C10 | C11 | C13 | H1 | 117.3° | 120.0° |
| C11 | C10 | N9 | C2 | 114.3° | 119.1° |
| C11 | C10 | N9 | H28 | 125.8° | 121.8° |
| C11 | C10 | C2 | H28 | 123.8° | 121.9° |
| C11 | C10 | N9 | C28 | 106.3° | 93.8° |
| C11 | C10 | N9 | C8 | 132.6° | 146.6° |
| C11 | C10 | C2 | N3 | 52.4° | 43.2° |
| C11 | C10 | C2 | C1 | 126.5° | 136.7° |
| C10 | C11 | C12 | H2 | 180.0° | 59.9° |
| C10 | C11 | C12 | H3 | 60.0° | 180.0° |
| C10 | C11 | C12 | H4 | 60.0° | 60.0° |
| C10 | C11 | C13 | H5 | 53.7° | 60.0° |
| C10 | C11 | C13 | H6 | 173.7° | 180.0° |
| C10 | C11 | C13 | H7 | 66.3° | 60.0° |
| C13 | C11 | C10 | N9 | 30.9° | 175.0° |
| C13 | C11 | C10 | C2 | 78.4° | 68.7° |
| C13 | C11 | C12 | H2 | 54.3° | 60.1° |
| C13 | C11 | C12 | H3 | 174.3° | 60.0° |
| C13 | C11 | C12 | H4 | 65.7° | 180.0° |
| C11 | C13 | H5 | H6 | 120.0° | 120.0° |
| C11 | C13 | H5 | H7 | 120.0° | 120.0° |
| C11 | C13 | H6 | H7 | 120.0° | 120.0° |
| C13 | C11 | C10 | H28 | 157.3° | 53.2° |
| F36 | C35 | C32 | F38 | 120.5° | 120.0° |
| F36 | C35 | C32 | C33 | 162.8° | 180.0° |
| F36 | C35 | C32 | C31 | 40.6° | 60.0° |
| F36 | C35 | C32 | H32 | 79.5° | 60.0° |
| C35 | C32 | C33 | C31 | 124.4° | 120.0° |
| C35 | C32 | C33 | H32 | 117.8° | 120.0° |
| C35 | C32 | C31 | H32 | 120.2° | 120.0° |
| C35 | C32 | C33 | C34 | 169.7° | 180.0° |
| C35 | C32 | C31 | C30 | 171.8° | 180.0° |
| C35 | C32 | C31 | H30 | 52.1° | 60.0° |
| C35 | C32 | C31 | H31 | 68.6° | 60.0° |
| C35 | C32 | C33 | H33 | 70.5° | 60.0° |
| C35 | C32 | C33 | H34 | 49.9° | 60.0° |
| C33 | C32 | C31 | H32 | 117.9° | 120.0° |
| C33 | C32 | C35 | F38 | 42.3° | 60.0° |
| C32 | C33 | C34 | H33 | 119.8° | 120.0° |
| C32 | C33 | C34 | H34 | 119.8° | 120.0° |
| C32 | C33 | C34 | C29 | 54.5° | 60.0° |
| C33 | C32 | C31 | C30 | 66.3° | 60.0° |
| C33 | C32 | C31 | H30 | 174.0° | 60.0° |
| C33 | C32 | C31 | H31 | 53.4° | 180.0° |
| C32 | C33 | H33 | H34 | 120.6° | 120.0° |
| C32 | C33 | C34 | H35 | 174.9° | 60.0° |
| C32 | C33 | C34 | H36 | 65.9° | 180.0° |
| C31 | C32 | C35 | F38 | 79.9° | 60.0° |
| C31 | C32 | C33 | C34 | 65.9° | 60.0° |
| C32 | C31 | C30 | H30 | 119.7° | 120.0° |
| C32 | C31 | C30 | H31 | 119.7° | 120.0° |
| C32 | C31 | C30 | C29 | 55.4° | 60.0° |
| C32 | C31 | C30 | H21 | 64.9° | 180.0° |
| C32 | C31 | C30 | H22 | 175.8° | 60.0° |
| C32 | C31 | H30 | H31 | 120.9° | 120.0° |
| C31 | C32 | C33 | H33 | 53.9° | 60.0° |
| C31 | C32 | C33 | H34 | 174.3° | 180.0° |
| F38 | C35 | C32 | H32 | 160.1° | 180.0° |
| N9 | C10 | C2 | H28 | 120.1° | 119.1° |
| C10 | N9 | C28 | C29 | 163.8° | 169.2° |
| C10 | N9 | C28 | C8 | 122.7° | 115.2° |
| N9 | C10 | C2 | N3 | 168.4° | 162.3° |
| N9 | C10 | C2 | C1 | 10.5° | 17.6° |
| C10 | N9 | C8 | C1 | 18.9° | 27.4° |
| N9 | C10 | C11 | H1 | 148.2° | 55.0° |
| C10 | N9 | C28 | H18 | 76.1° | 70.8° |
| C10 | N9 | C28 | H19 | 43.8° | 49.3° |
| C10 | N9 | C8 | H25 | 137.7° | 91.6° |
| C10 | N9 | C8 | H26 | 99.8° | 146.5° |
| C2 | C10 | N9 | C28 | 139.4° | 147.1° |
| C2 | C10 | N9 | C8 | 18.3° | 27.6° |
| C10 | C2 | N3 | C1 | 178.8° | 179.9° |
| C10 | C2 | N3 | C4 | 179.1° | 180.0° |
| C10 | C2 | C1 | C8 | 0.7° | 0.3° |
| C10 | C2 | C1 | C6 | 179.3° | 180.0° |
| C2 | C10 | C11 | H1 | 38.9° | 171.3° |
| C29 | C28 | N9 | H18 | 120.1° | 120.0° |
| C29 | C28 | N9 | H19 | 120.1° | 119.9° |
| C28 | C29 | C34 | C33 | 169.0° | 179.9° |
| C28 | C29 | C34 | C30 | 122.8° | 120.0° |
| C28 | C29 | C34 | H20 | 116.5° | 120.0° |
| C28 | C29 | C30 | C31 | 167.6° | 180.0° |
| C28 | C29 | C30 | H20 | 118.5° | 120.0° |
| C29 | C28 | N9 | C8 | 73.4° | 75.6° |
| C29 | C28 | H18 | H19 | 119.8° | 120.0° |
| C28 | C29 | C30 | H21 | 47.2° | 60.0° |
| C28 | C29 | C30 | H22 | 72.1° | 60.0° |
| C28 | C29 | C34 | H35 | 70.6° | 60.1° |
| C28 | C29 | C34 | H36 | 48.6° | 60.0° |
| N9 | C28 | C29 | C34 | 166.2° | 174.7° |
| N9 | C28 | C29 | C30 | 68.6° | 65.3° |
| C28 | N9 | C8 | C1 | 139.7° | 147.0° |
| N9 | C28 | H18 | H19 | 119.8° | 120.0° |
| N9 | C28 | C29 | H20 | 49.8° | 54.7° |
| C28 | N9 | C8 | H25 | 101.5° | 28.0° |
| C28 | N9 | C8 | H26 | 21.0° | 93.9° |
| C28 | N9 | C10 | H28 | 19.5° | 28.0° |
| C33 | C34 | C29 | H35 | 120.4° | 120.0° |
| C33 | C34 | C29 | H36 | 120.4° | 120.0° |
| C33 | C34 | C29 | C30 | 46.2° | 60.0° |
| C33 | C34 | C29 | H20 | 74.5° | 60.0° |
| C34 | C33 | C32 | H32 | 51.9° | 60.0° |
| C34 | C33 | H33 | H34 | 120.5° | 120.1° |
| C33 | C34 | H35 | H36 | 118.7° | 119.9° |
| C34 | C29 | C30 | C31 | 46.8° | 60.0° |
| C34 | C29 | C30 | H20 | 120.8° | 120.0° |
| C34 | C29 | C28 | H18 | 46.2° | 54.6° |
| C34 | C29 | C28 | H19 | 73.7° | 65.3° |
| C34 | C29 | C30 | H21 | 73.5° | 180.0° |
| C34 | C29 | C30 | H22 | 167.2° | 60.0° |
| C29 | C34 | C33 | H33 | 65.3° | 59.9° |
| C29 | C34 | C33 | H34 | 174.3° | 180.0° |
| C29 | C34 | H35 | H36 | 118.7° | 120.0° |
| C31 | C30 | C29 | H21 | 120.4° | 120.0° |
| C31 | C30 | C29 | H22 | 120.3° | 120.0° |
| C31 | C30 | C29 | H20 | 74.0° | 60.0° |
| C31 | C30 | H21 | H22 | 118.9° | 120.0° |
| C30 | C31 | H30 | H31 | 121.0° | 120.0° |
| C30 | C31 | C32 | H32 | 51.6° | 60.0° |
| C30 | C29 | C28 | H18 | 171.4° | 174.7° |
| C30 | C29 | C28 | H19 | 51.5° | 54.7° |
| C29 | C30 | H21 | H22 | 118.9° | 120.0° |
| C29 | C30 | C31 | H30 | 175.1° | 60.1° |
| C29 | C30 | C31 | H31 | 64.2° | 180.0° |
| C30 | C29 | C34 | H35 | 166.6° | 60.0° |
| C30 | C29 | C34 | H36 | 74.2° | 180.0° |
| N9 | C8 | C1 | C2 | 11.6° | 17.2° |
| N9 | C8 | C1 | H25 | 118.8° | 119.0° |
| N9 | C8 | C1 | H26 | 118.7° | 119.2° |
| N9 | C8 | C1 | C6 | 168.4° | 162.5° |
| C8 | N9 | C28 | H18 | 46.6° | 44.5° |
| C8 | N9 | C28 | H19 | 166.5° | 164.5° |
| N9 | C8 | H25 | H26 | 123.6° | 122.0° |
| C8 | N9 | C10 | H28 | 101.6° | 91.5° |
| C2 | N3 | C4 | C5 | 0.2° | 0.0° |
| N3 | C2 | C1 | C8 | 179.6° | 179.7° |
| N3 | C2 | C1 | C6 | 0.3° | 0.1° |
| C2 | N3 | C4 | H23 | 179.8° | 180.0° |
| N3 | C2 | C10 | H28 | 71.4° | 78.7° |
| C4 | N3 | C2 | C1 | 0.3° | 0.1° |
| N3 | C4 | C5 | H23 | 180.0° | 180.0° |
| N3 | C4 | C5 | C6 | 0.7° | 0.0° |
| N3 | C4 | C5 | C7 | 179.5° | 179.9° |
| C2 | C1 | C8 | C6 | 180.0° | 179.7° |
| C2 | C1 | C6 | C5 | 0.2° | 0.0° |
| C2 | C1 | C6 | H24 | 179.8° | 180.0° |
| C2 | C1 | C8 | H25 | 130.3° | 101.8° |
| C2 | C1 | C8 | H26 | 107.2° | 136.4° |
| C1 | C2 | C10 | H28 | 109.7° | 101.4° |
| C4 | C5 | C6 | C1 | 0.7° | 0.0° |
| C4 | C5 | C6 | C7 | 178.9° | 180.0° |
| C4 | C5 | C7 | N15 | 21.6° | 0.0° |
| C4 | C5 | C7 | O14 | 156.3° | 180.0° |
| C4 | C5 | C6 | H24 | 179.4° | 180.0° |
| C8 | C1 | C6 | C5 | 179.9° | 179.6° |
| C8 | C1 | C6 | H24 | 0.1° | 0.4° |
| C1 | C8 | H25 | H26 | 123.6° | 121.8° |
| C1 | C6 | C5 | H24 | 180.0° | 180.0° |
| C1 | C6 | C5 | C7 | 179.5° | 179.9° |
| C6 | C1 | C8 | H25 | 49.6° | 78.5° |
| C6 | C1 | C8 | H26 | 72.8° | 43.3° |
| C6 | C5 | C7 | N15 | 159.5° | 180.0° |
| C6 | C5 | C7 | O14 | 22.5° | 0.1° |
| C6 | C5 | C4 | H23 | 179.3° | 180.0° |
| C5 | C7 | N15 | O14 | 177.8° | 180.0° |
| C5 | C7 | N15 | C16 | 178.0° | 180.0° |
| C7 | C5 | C4 | H23 | 0.4° | 0.1° |
| C7 | C5 | C6 | H24 | 0.5° | 0.1° |
| C5 | C7 | N15 | H29 | 2.0° | 0.0° |
| C7 | N15 | C16 | H29 | 180.0° | 180.0° |
| C7 | N15 | C16 | C17 | 79.3° | 180.0° |
| C7 | N15 | C16 | H8 | 40.4° | 60.0° |
| C7 | N15 | C16 | H9 | 160.9° | 60.0° |
| C16 | N15 | C7 | O14 | 0.2° | 0.0° |
| N15 | C16 | C17 | C22 | 22.6° | 95.3° |
| N15 | C16 | C17 | H8 | 119.8° | 119.9° |
| N15 | C16 | C17 | H9 | 119.8° | 120.0° |
| N15 | C16 | C17 | N18 | 156.8° | 85.0° |
| N15 | C16 | H8 | H9 | 120.7° | 120.0° |
| O14 | C7 | N15 | H29 | 179.8° | 180.0° |
| C21 | C22 | C17 | H12 | 180.0° | 179.9° |
| C21 | C22 | C17 | C16 | 179.9° | 180.0° |
| C22 | C21 | C20 | H11 | 180.0° | 180.0° |
| C21 | C22 | C17 | N18 | 0.5° | 0.3° |
| C22 | C21 | C20 | S23 | 179.8° | 180.0° |
| C22 | C21 | C20 | C19 | 0.7° | 0.3° |
| C22 | C17 | C16 | N18 | 179.4° | 179.7° |
| C17 | C22 | C21 | C20 | 0.4° | 0.0° |
| C22 | C17 | N18 | C19 | 0.8° | 0.2° |
| C22 | C17 | C16 | H8 | 142.4° | 144.8° |
| C22 | C17 | C16 | H9 | 97.1° | 24.7° |
| C17 | C22 | C21 | H11 | 179.6° | 180.0° |
| C16 | C17 | N18 | C19 | 179.8° | 179.9° |
| C17 | C16 | H8 | H9 | 120.7° | 120.0° |
| C16 | C17 | C22 | H12 | 0.1° | 0.1° |
| C17 | C16 | N15 | H29 | 100.7° | 0.0° |
| C21 | C20 | S23 | O27 | 26.0° | 153.6° |
| C21 | C20 | S23 | C19 | 179.1° | 179.7° |
| C21 | C20 | C19 | N18 | 1.0° | 0.3° |
| C21 | C20 | S23 | C24 | 92.2° | 90.3° |
| C21 | C20 | S23 | O26 | 153.7° | 25.8° |
| C21 | C20 | C19 | H10 | 179.0° | 179.7° |
| C20 | C21 | C22 | H12 | 179.5° | 179.9° |
| C17 | N18 | C19 | C20 | 1.1° | 0.0° |
| N18 | C17 | C16 | H8 | 37.1° | 35.0° |
| N18 | C17 | C16 | H9 | 83.4° | 155.0° |
| C17 | N18 | C19 | H10 | 179.0° | 179.9° |
| N18 | C17 | C22 | H12 | 179.5° | 179.8° |
| O27 | S23 | C20 | C24 | 118.2° | 116.0° |
| O27 | S23 | C20 | O26 | 127.7° | 127.9° |
| O27 | S23 | C20 | C19 | 153.1° | 26.1° |
| O27 | S23 | C24 | C25 | 53.0° | 68.4° |
| O27 | S23 | C24 | O26 | 129.9° | 136.7° |
| O27 | S23 | C24 | H13 | 67.5° | 171.7° |
| O27 | S23 | C24 | H14 | 173.5° | 51.7° |
| S23 | C20 | C19 | N18 | 179.9° | 180.0° |
| C20 | S23 | C24 | C25 | 63.9° | 180.0° |
| C20 | S23 | C24 | O26 | 113.2° | 111.7° |
| S23 | C20 | C19 | H10 | 0.1° | 0.0° |
| S23 | C20 | C21 | H11 | 0.2° | 0.0° |
| C20 | S23 | C24 | H13 | 175.6° | 60.0° |
| C20 | S23 | C24 | H14 | 56.6° | 60.0° |
| C20 | C19 | N18 | H10 | 180.0° | 180.0° |
| C19 | C20 | S23 | C24 | 88.7° | 90.0° |
| C19 | C20 | S23 | O26 | 25.4° | 153.9° |
| C19 | C20 | C21 | H11 | 179.3° | 179.7° |
| C25 | C24 | S23 | H13 | 120.4° | 120.0° |
| C25 | C24 | S23 | H14 | 120.5° | 120.0° |
| C25 | C24 | S23 | O26 | 177.1° | 68.3° |
| C25 | C24 | H13 | H14 | 118.6° | 120.0° |
| C24 | C25 | H15 | H16 | 120.0° | 120.0° |
| C24 | C25 | H15 | H17 | 120.0° | 120.0° |
| C24 | C25 | H16 | H17 | 120.0° | 120.1° |
| S23 | C24 | H13 | H14 | 118.6° | 120.0° |
| S23 | C24 | C25 | H15 | 180.0° | 60.0° |
| S23 | C24 | C25 | H16 | 60.0° | 60.0° |
| S23 | C24 | C25 | H17 | 60.0° | 179.9° |
| O26 | S23 | C24 | H13 | 62.4° | 51.6° |
| O26 | S23 | C24 | H14 | 56.7° | 171.7° |
| H1 | C11 | C12 | H2 | 62.0° | NaN° |
| H1 | C11 | C12 | H3 | 58.0° | 59.9° |
| H1 | C11 | C12 | H4 | 178.0° | 60.0° |
| H1 | C11 | C13 | H5 | 63.7° | 60.0° |
| H1 | C11 | C13 | H6 | 56.4° | 60.0° |
| H1 | C11 | C13 | H7 | 176.3° | 180.0° |
| H1 | C11 | C10 | H28 | 85.4° | 66.8° |
| H2 | C12 | H3 | H4 | 120.0° | 120.0° |
| H5 | C13 | H6 | H7 | 120.0° | 120.0° |
| H8 | C16 | N15 | H29 | 139.6° | 119.9° |
| H9 | C16 | N15 | H29 | 19.1° | 120.0° |
| H11 | C21 | C22 | H12 | 0.5° | 0.1° |
| H13 | C24 | C25 | H15 | 59.6° | 60.0° |
| H13 | C24 | C25 | H16 | 60.4° | 179.9° |
| H13 | C24 | C25 | H17 | 179.6° | 60.0° |
| H14 | C24 | C25 | H15 | 59.5° | 180.0° |
| H14 | C24 | C25 | H16 | 179.5° | 60.1° |
| H14 | C24 | C25 | H17 | 60.5° | 60.0° |
| H15 | C25 | H16 | H17 | 119.9° | 119.9° |
| H18 | C28 | C29 | H20 | 70.3° | 65.3° |
| H19 | C28 | C29 | H20 | 169.9° | 174.7° |
| H20 | C29 | C30 | H21 | 165.7° | 60.0° |
| H20 | C29 | C30 | H22 | 46.4° | 180.0° |
| H20 | C29 | C34 | H35 | 45.9° | 180.0° |
| H20 | C29 | C34 | H36 | 165.1° | 60.0° |
| H21 | C30 | C31 | H30 | 54.7° | 60.0° |
| H21 | C30 | C31 | H31 | 175.4° | 60.0° |
| H22 | C30 | C31 | H30 | 64.5° | 179.9° |
| H22 | C30 | C31 | H31 | 56.1° | 60.0° |
| H30 | C31 | C32 | H32 | 68.1° | 180.0° |
| H31 | C31 | C32 | H32 | 171.3° | 60.0° |
| H32 | C32 | C33 | H33 | 171.7° | 180.0° |
| H32 | C32 | C33 | H34 | 67.9° | 60.0° |
| H33 | C33 | C34 | H35 | 55.1° | 180.0° |
| H33 | C33 | C34 | H36 | 174.3° | 60.0° |
| H34 | C33 | C34 | H35 | 65.2° | 60.0° |
| H34 | C33 | C34 | H36 | 53.9° | 60.0° |
