R61
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | F22 | sing | 1.35Å | 1.36Å | |
| C24 | C18 | sing | 1.39Å | 1.37Å | Aromatic |
| C24 | C23 | doub | 1.39Å | 1.36Å | Aromatic |
| C26 | C27 | sing | 1.54Å | 1.48Å | |
| C28 | C27 | sing | 1.56Å | 1.62Å | |
| C28 | S29 | sing | 1.83Å | 1.74Å | |
| C01 | N02 | sing | 1.47Å | 1.21Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C03 | N02 | sing | 1.47Å | 1.45Å | |
| C04 | C05 | sing | 1.53Å | 1.44Å | |
| C05 | C06 | sing | 1.53Å | 1.44Å | |
| C05 | C08 | sing | 1.51Å | 1.55Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| C07 | N02 | sing | 1.47Å | 1.45Å | |
| C08 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C08 | C37 | sing | 1.39Å | 1.39Å | Aromatic |
| C09 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | F10 | sing | 1.35Å | 1.36Å | |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C36 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | N13 | sing | 1.40Å | 1.46Å | |
| C14 | N13 | sing | 1.39Å | 1.45Å | |
| C14 | N15 | doub | 1.32Å | 1.31Å | Aromatic |
| C14 | N35 | sing | 1.33Å | 1.32Å | Aromatic |
| C16 | C32 | doub | 1.40Å | 1.38Å | Aromatic |
| C16 | N15 | sing | 1.33Å | 1.32Å | Aromatic |
| C16 | N17 | sing | 1.39Å | 1.44Å | |
| C18 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | N17 | sing | 1.40Å | 1.45Å | |
| C23 | N25 | sing | 1.40Å | 1.44Å | |
| C32 | C33 | sing | 1.51Å | 1.52Å | |
| C32 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C34 | N35 | doub | 1.32Å | 1.33Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | F38 | sing | 1.35Å | 1.36Å | |
| N25 | S29 | sing | 1.67Å | 1.42Å | |
| O30 | S29 | doub | 1.42Å | 1.46Å | |
| O31 | S29 | doub | 1.42Å | 1.47Å | |
| C20 | H1 | sing | 1.08Å | 1.08Å | |
| C24 | H2 | sing | 1.08Å | 1.08Å | |
| C26 | H3 | sing | 1.09Å | 1.10Å | |
| C26 | H4 | sing | 1.09Å | 1.10Å | |
| C28 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C04 | H14 | sing | 1.09Å | 1.10Å | |
| C05 | H15 | sing | 1.09Å | 1.10Å | |
| C06 | H16 | sing | 1.09Å | 1.10Å | |
| C06 | H17 | sing | 1.09Å | 1.10Å | |
| C07 | H18 | sing | 1.09Å | 1.10Å | |
| C07 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.09Å | 1.10Å | |
| C33 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.08Å | 1.08Å | |
| C36 | H28 | sing | 1.08Å | 1.08Å | |
| N13 | H30 | sing | 0.97Å | 1.00Å | |
| N17 | H31 | sing | 0.97Å | 1.00Å | |
| C26 | N25 | sing | 1.47Å | 1.68Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C20 | C19 | 118.6° | 120.2° |
| C20 | C21 | C23 | 120.1° | 120.0° |
| C20 | C21 | F22 | 119.9° | 120.0° |
| C21 | C20 | H1 | 120.7° | 119.9° |
| C20 | C19 | C18 | 120.4° | 120.1° |
| C19 | C20 | H1 | 120.7° | 119.9° |
| C20 | C19 | H21 | 119.8° | 120.0° |
| C23 | C21 | F22 | 120.0° | 120.0° |
| C21 | C23 | C24 | 121.2° | 119.9° |
| C21 | C23 | N25 | 121.8° | 120.0° |
| C18 | C24 | C23 | 119.1° | 119.9° |
| C24 | C18 | C19 | 120.7° | 120.0° |
| C24 | C18 | N17 | 114.5° | 120.0° |
| C18 | C24 | H2 | 120.5° | 120.0° |
| C24 | C23 | N25 | 116.9° | 120.0° |
| C23 | C24 | H2 | 120.4° | 120.1° |
| C26 | C27 | C28 | 104.9° | 104.3° |
| C27 | C26 | H3 | 112.3° | 109.4° |
| C27 | C26 | H4 | 112.3° | 109.3° |
| C26 | C27 | H22 | 110.6° | 110.5° |
| C26 | C27 | H23 | 110.6° | 110.4° |
| C27 | C26 | N25 | 97.7° | 110.1° |
| C27 | C28 | S29 | 103.3° | 100.7° |
| C27 | C28 | H6 | 111.0° | 111.1° |
| C27 | C28 | H7 | 111.0° | 111.2° |
| C28 | C27 | H22 | 110.6° | 110.5° |
| C28 | C27 | H23 | 110.6° | 110.4° |
| C28 | S29 | N25 | 96.7° | 99.4° |
| C28 | S29 | O30 | 107.1° | 111.2° |
| C28 | S29 | O31 | 110.9° | 111.2° |
| S29 | C28 | H6 | 111.0° | 111.1° |
| S29 | C28 | H7 | 111.0° | 111.2° |
| C01 | N02 | C03 | 109.3° | 111.0° |
| C01 | N02 | C07 | 108.9° | 111.0° |
| N02 | C01 | H8 | 109.5° | 109.4° |
| N02 | C01 | H9 | 109.5° | 109.5° |
| N02 | C01 | H10 | 109.4° | 109.5° |
| C04 | C03 | N02 | 114.5° | 109.5° |
| C03 | C04 | C05 | 107.1° | 109.3° |
| C04 | C03 | H11 | 108.2° | 109.4° |
| C04 | C03 | H12 | 108.2° | 109.4° |
| C03 | C04 | H13 | 110.0° | 109.6° |
| C03 | C04 | H14 | 110.1° | 109.5° |
| C03 | N02 | C07 | 119.5° | 111.2° |
| N02 | C03 | H11 | 108.2° | 109.5° |
| N02 | C03 | H12 | 108.2° | 109.4° |
| C04 | C05 | C06 | 109.0° | 109.2° |
| C04 | C05 | C08 | 114.2° | 109.6° |
| C05 | C04 | H13 | 110.1° | 109.5° |
| C05 | C04 | H14 | 110.1° | 109.4° |
| C04 | C05 | H15 | 107.9° | 109.5° |
| C06 | C05 | C08 | 111.1° | 109.5° |
| C05 | C06 | C07 | 111.2° | 109.3° |
| C06 | C05 | H15 | 107.9° | 109.5° |
| C05 | C06 | H16 | 109.1° | 109.5° |
| C05 | C06 | H17 | 109.1° | 109.5° |
| C05 | C08 | C09 | 116.7° | 120.0° |
| C05 | C08 | C37 | 123.5° | 119.9° |
| C08 | C05 | H15 | 106.6° | 109.6° |
| C06 | C07 | N02 | 118.3° | 109.5° |
| C07 | C06 | H16 | 109.0° | 109.5° |
| C07 | C06 | H17 | 109.0° | 109.5° |
| C06 | C07 | H18 | 107.2° | 109.5° |
| C06 | C07 | H19 | 107.3° | 109.5° |
| N02 | C07 | H18 | 107.2° | 109.5° |
| N02 | C07 | H19 | 107.2° | 109.5° |
| C09 | C08 | C37 | 119.8° | 120.1° |
| C08 | C09 | C11 | 120.9° | 120.0° |
| C08 | C09 | F10 | 119.2° | 120.0° |
| C08 | C37 | C36 | 119.4° | 120.0° |
| C08 | C37 | F38 | 122.0° | 120.0° |
| C11 | C09 | F10 | 119.9° | 120.0° |
| C09 | C11 | C12 | 119.5° | 120.0° |
| C09 | C11 | H20 | 120.2° | 120.0° |
| C11 | C12 | C36 | 120.1° | 119.9° |
| C11 | C12 | N13 | 122.7° | 120.1° |
| C12 | C11 | H20 | 120.3° | 120.0° |
| C36 | C12 | N13 | 117.3° | 120.0° |
| C12 | C36 | C37 | 120.4° | 120.0° |
| C12 | C36 | H28 | 119.8° | 120.0° |
| C12 | N13 | C14 | 128.4° | 120.0° |
| C12 | N13 | H30 | 115.8° | 120.0° |
| N13 | C14 | N15 | 122.7° | 119.1° |
| N13 | C14 | N35 | 117.0° | 119.2° |
| C14 | N13 | H30 | 115.8° | 120.0° |
| N15 | C14 | N35 | 120.3° | 121.6° |
| C14 | N15 | C16 | 121.0° | 120.6° |
| C14 | N35 | C34 | 122.2° | 120.9° |
| C32 | C16 | N15 | 120.2° | 119.0° |
| C32 | C16 | N17 | 116.5° | 120.5° |
| C16 | C32 | C33 | 119.6° | 120.7° |
| C16 | C32 | C34 | 117.8° | 118.5° |
| N15 | C16 | N17 | 123.3° | 120.5° |
| C16 | N17 | C18 | 124.8° | 120.0° |
| C16 | N17 | H31 | 117.6° | 120.0° |
| C19 | C18 | N17 | 124.8° | 120.0° |
| C18 | C19 | H21 | 119.8° | 120.0° |
| C18 | N17 | H31 | 117.6° | 120.0° |
| C23 | N25 | S29 | 131.3° | 126.3° |
| C23 | N25 | C26 | 126.0° | 126.3° |
| C33 | C32 | C34 | 122.6° | 120.8° |
| C32 | C33 | H24 | 109.5° | 109.5° |
| C32 | C33 | H25 | 109.5° | 109.5° |
| C32 | C33 | H26 | 109.5° | 109.5° |
| C32 | C34 | N35 | 118.5° | 119.3° |
| C32 | C34 | H27 | 120.8° | 120.3° |
| N35 | C34 | H27 | 120.7° | 120.3° |
| C36 | C37 | F38 | 118.7° | 120.0° |
| C37 | C36 | H28 | 119.8° | 120.0° |
| N25 | S29 | O30 | 108.0° | 105.1° |
| N25 | S29 | O31 | 108.9° | 105.1° |
| S29 | N25 | C26 | 102.6° | 107.4° |
| O30 | S29 | O31 | 122.2° | 121.8° |
| H3 | C26 | H4 | 109.5° | 109.4° |
| H3 | C26 | N25 | 112.3° | 109.3° |
| H4 | C26 | N25 | 112.3° | 109.3° |
| H6 | C28 | H7 | 109.5° | 111.1° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H10 | 109.5° | 109.5° |
| H9 | C01 | H10 | 109.5° | 109.5° |
| H11 | C03 | H12 | 109.5° | 109.5° |
| H13 | C04 | H14 | 109.5° | 109.5° |
| H16 | C06 | H17 | 109.4° | 109.5° |
| H18 | C07 | H19 | 109.5° | 109.4° |
| H22 | C27 | H23 | 109.5° | 110.5° |
| H24 | C33 | H25 | 109.5° | 109.4° |
| H24 | C33 | H26 | 109.4° | 109.5° |
| H25 | C33 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C20 | C19 | H1 | 180.0° | 179.7° |
| C20 | C21 | C23 | F22 | 179.5° | 180.0° |
| C20 | C21 | C23 | C24 | 0.8° | 0.0° |
| C21 | C20 | C19 | C18 | 0.1° | 0.0° |
| C20 | C21 | C23 | N25 | 178.1° | 179.9° |
| C21 | C20 | C19 | H21 | 179.9° | 180.0° |
| C19 | C20 | C21 | C23 | 0.5° | 0.0° |
| C19 | C20 | C21 | F22 | 180.0° | 180.0° |
| C20 | C19 | C18 | C24 | 0.0° | 0.0° |
| C20 | C19 | C18 | H21 | 180.0° | 180.0° |
| C20 | C19 | C18 | N17 | 179.7° | 179.9° |
| C21 | C23 | C24 | C18 | 0.8° | 0.0° |
| C21 | C23 | C24 | N25 | 177.4° | 179.9° |
| C21 | C23 | N25 | S29 | 75.6° | 85.1° |
| C23 | C21 | C20 | H1 | 179.6° | 179.7° |
| C21 | C23 | C24 | H2 | 179.2° | 180.0° |
| C21 | C23 | N25 | C26 | 100.8° | 95.0° |
| F22 | C21 | C23 | C24 | 179.7° | 180.0° |
| F22 | C21 | C23 | N25 | 2.4° | 0.0° |
| F22 | C21 | C20 | H1 | 0.0° | 0.3° |
| C18 | C24 | C23 | H2 | 180.0° | 179.9° |
| C24 | C18 | N17 | C16 | 175.2° | 146.0° |
| C24 | C18 | C19 | N17 | 179.6° | 179.9° |
| C18 | C24 | C23 | N25 | 178.2° | 180.0° |
| C24 | C18 | C19 | H21 | 180.0° | 179.9° |
| C24 | C18 | N17 | H31 | 4.7° | 34.1° |
| C23 | C24 | C18 | C19 | 0.4° | 0.1° |
| C23 | C24 | C18 | N17 | 180.0° | 180.0° |
| C24 | C23 | N25 | S29 | 107.0° | 95.0° |
| C24 | C23 | N25 | C26 | 76.6° | 85.0° |
| C26 | C27 | C28 | H22 | 119.3° | 118.8° |
| C26 | C27 | C28 | H23 | 119.3° | 118.6° |
| C26 | C27 | C28 | S29 | 10.6° | 38.0° |
| C27 | C26 | N25 | C23 | 115.9° | 150.9° |
| C27 | C26 | N25 | S29 | 61.3° | 29.1° |
| C27 | C26 | H3 | H4 | 125.5° | 119.7° |
| C27 | C26 | H3 | N25 | 109.0° | 120.6° |
| C27 | C26 | H4 | N25 | 109.0° | 120.6° |
| C26 | C27 | C28 | H6 | 108.4° | 155.8° |
| C26 | C27 | C28 | H7 | 129.6° | 79.9° |
| C26 | C27 | H22 | H23 | 122.1° | 122.5° |
| C27 | C28 | S29 | H6 | 119.0° | 117.8° |
| C27 | C28 | S29 | H7 | 119.0° | 117.9° |
| C27 | C28 | S29 | N25 | 27.0° | 21.1° |
| C27 | C28 | S29 | O30 | 84.2° | 89.2° |
| C27 | C28 | S29 | O31 | 140.3° | 131.5° |
| C28 | C27 | C26 | H3 | 156.0° | 74.9° |
| C28 | C27 | C26 | H4 | 80.0° | 165.4° |
| C27 | C28 | H6 | H7 | 122.9° | 124.4° |
| C28 | C27 | H22 | H23 | 122.1° | 122.5° |
| C28 | C27 | C26 | N25 | 38.0° | 45.3° |
| C28 | S29 | N25 | C23 | 126.6° | 176.2° |
| C28 | S29 | N25 | O30 | 110.4° | 115.2° |
| C28 | S29 | N25 | O31 | 114.9° | 115.1° |
| C28 | S29 | O30 | O31 | 129.4° | 134.3° |
| S29 | C28 | H6 | H7 | 122.8° | 124.4° |
| S29 | C28 | C27 | H22 | 129.9° | 80.8° |
| S29 | C28 | C27 | H23 | 108.6° | 156.6° |
| C28 | S29 | N25 | C26 | 50.4° | 3.8° |
| C01 | N02 | C03 | C04 | 140.0° | 174.2° |
| C01 | N02 | C03 | C07 | 126.4° | 124.1° |
| C01 | N02 | C07 | C06 | 126.7° | 174.1° |
| N02 | C01 | H8 | H9 | 120.0° | 120.0° |
| N02 | C01 | H8 | H10 | 120.0° | 120.0° |
| N02 | C01 | H9 | H10 | 120.0° | 120.0° |
| C01 | N02 | C03 | H11 | 99.3° | 54.2° |
| C01 | N02 | C03 | H12 | 19.2° | 65.8° |
| C01 | N02 | C07 | H18 | 5.4° | 65.8° |
| C01 | N02 | C07 | H19 | 112.1° | 54.1° |
| C04 | C03 | N02 | H11 | 120.7° | 120.0° |
| C04 | C03 | N02 | H12 | 120.7° | 120.0° |
| C03 | C04 | C05 | H13 | 119.6° | 120.0° |
| C03 | C04 | C05 | H14 | 119.6° | 119.9° |
| C03 | C04 | C05 | C06 | 72.9° | 57.6° |
| C03 | C04 | C05 | C08 | 162.2° | 177.5° |
| C04 | C03 | N02 | C07 | 13.6° | 61.7° |
| C04 | C03 | H11 | H12 | 117.7° | 120.0° |
| C03 | C04 | H13 | H14 | 121.1° | 120.1° |
| C03 | C04 | C05 | H15 | 44.0° | 62.3° |
| N02 | C03 | C04 | C05 | 48.7° | 59.1° |
| C03 | N02 | C07 | C06 | 0.1° | 61.7° |
| C03 | N02 | C01 | H8 | 180.0° | 60.0° |
| C03 | N02 | C01 | H9 | 60.0° | 180.0° |
| C03 | N02 | C01 | H10 | 60.0° | 60.0° |
| N02 | C03 | H11 | H12 | 117.7° | 120.0° |
| N02 | C03 | C04 | H13 | 168.3° | 179.1° |
| N02 | C03 | C04 | H14 | 70.9° | 60.7° |
| C03 | N02 | C07 | H18 | 121.1° | 58.3° |
| C03 | N02 | C07 | H19 | 121.4° | 178.2° |
| C04 | C05 | C06 | C08 | 126.7° | 119.9° |
| C04 | C05 | C06 | H15 | 116.9° | 119.9° |
| C04 | C05 | C08 | H15 | 119.0° | 120.1° |
| C04 | C05 | C06 | C07 | 59.2° | 57.6° |
| C04 | C05 | C08 | C09 | 112.8° | 120.0° |
| C04 | C05 | C08 | C37 | 67.1° | 59.7° |
| C05 | C04 | C03 | H11 | 169.5° | 179.2° |
| C05 | C04 | C03 | H12 | 72.0° | 60.9° |
| C05 | C04 | H13 | H14 | 121.1° | 120.0° |
| C04 | C05 | C06 | H16 | 179.4° | 177.6° |
| C04 | C05 | C06 | H17 | 61.1° | 62.3° |
| C06 | C05 | C08 | H15 | 117.3° | 120.2° |
| C05 | C06 | C07 | H16 | 120.3° | 120.0° |
| C05 | C06 | C07 | H17 | 120.3° | 120.0° |
| C05 | C06 | C07 | N02 | 22.0° | 59.2° |
| C06 | C05 | C08 | C09 | 123.5° | 120.3° |
| C06 | C05 | C08 | C37 | 56.7° | 60.0° |
| C06 | C05 | C04 | H13 | 167.5° | 177.6° |
| C06 | C05 | C04 | H14 | 46.7° | 62.3° |
| C05 | C06 | H16 | H17 | 119.2° | 120.1° |
| C05 | C06 | C07 | H18 | 99.3° | 60.9° |
| C05 | C06 | C07 | H19 | 143.2° | 179.2° |
| C08 | C05 | C06 | C07 | 174.2° | 177.6° |
| C05 | C08 | C09 | C37 | 179.9° | 179.7° |
| C05 | C08 | C09 | C11 | 180.0° | 179.9° |
| C05 | C08 | C09 | F10 | 0.6° | 0.0° |
| C05 | C08 | C37 | C36 | 179.8° | 179.8° |
| C05 | C08 | C37 | F38 | 0.3° | 0.0° |
| C08 | C05 | C04 | H13 | 42.6° | 62.5° |
| C08 | C05 | C04 | H14 | 78.2° | 57.6° |
| C08 | C05 | C06 | H16 | 53.9° | 62.5° |
| C08 | C05 | C06 | H17 | 65.6° | 57.6° |
| C06 | C07 | N02 | H18 | 121.2° | 120.1° |
| C06 | C07 | N02 | H19 | 121.3° | 120.0° |
| C07 | C06 | C05 | H15 | 57.7° | 62.2° |
| C07 | C06 | H16 | H17 | 119.2° | 120.1° |
| C06 | C07 | H18 | H19 | 116.1° | 119.9° |
| C07 | N02 | C01 | H8 | 47.8° | 64.2° |
| C07 | N02 | C01 | H9 | 167.8° | 55.8° |
| C07 | N02 | C01 | H10 | 72.2° | 175.8° |
| C07 | N02 | C03 | H11 | 134.3° | 178.3° |
| C07 | N02 | C03 | H12 | 107.1° | 58.3° |
| N02 | C07 | C06 | H16 | 142.3° | 179.2° |
| N02 | C07 | C06 | H17 | 98.3° | 60.8° |
| N02 | C07 | H18 | H19 | 116.0° | 120.0° |
| C08 | C09 | C11 | F10 | 179.4° | 179.9° |
| C08 | C09 | C11 | C12 | 0.2° | 0.1° |
| C09 | C08 | C37 | C36 | 0.1° | 0.5° |
| C09 | C08 | C37 | F38 | 179.6° | 179.8° |
| C09 | C08 | C05 | H15 | 6.2° | 0.1° |
| C08 | C09 | C11 | H20 | 179.8° | 180.0° |
| C37 | C08 | C09 | C11 | 0.1° | 0.2° |
| C37 | C08 | C09 | F10 | 179.5° | 179.7° |
| C08 | C37 | C36 | C12 | 0.2° | 0.5° |
| C08 | C37 | C36 | F38 | 179.6° | 179.8° |
| C37 | C08 | C05 | H15 | 173.9° | 179.9° |
| C08 | C37 | C36 | H28 | 179.8° | 179.7° |
| C09 | C11 | C12 | H20 | 180.0° | 179.9° |
| C09 | C11 | C12 | C36 | 0.0° | 0.1° |
| C09 | C11 | C12 | N13 | 179.8° | 179.9° |
| F10 | C09 | C11 | C12 | 179.6° | 180.0° |
| F10 | C09 | C11 | H20 | 0.4° | 0.1° |
| C11 | C12 | C36 | N13 | 179.9° | 180.0° |
| C11 | C12 | N13 | C14 | 10.3° | 146.2° |
| C11 | C12 | C36 | C37 | 0.2° | 0.2° |
| C11 | C12 | C36 | H28 | 179.8° | 180.0° |
| C11 | C12 | N13 | H30 | 169.7° | 33.9° |
| C36 | C12 | N13 | C14 | 169.9° | 33.8° |
| C12 | C36 | C37 | H28 | 180.0° | 179.8° |
| C12 | C36 | C37 | F38 | 179.8° | 179.7° |
| C36 | C12 | C11 | H20 | 180.0° | 180.0° |
| C36 | C12 | N13 | H30 | 10.1° | 146.1° |
| C12 | N13 | C14 | H30 | 180.0° | 179.9° |
| C12 | N13 | C14 | N15 | 12.2° | 174.5° |
| C12 | N13 | C14 | N35 | 168.9° | 5.8° |
| N13 | C12 | C36 | C37 | 180.0° | 179.8° |
| N13 | C12 | C11 | H20 | 0.2° | 0.1° |
| N13 | C12 | C36 | H28 | 0.1° | 0.0° |
| N13 | C14 | N15 | N35 | 178.8° | 179.7° |
| N13 | C14 | N15 | C16 | 179.4° | 180.0° |
| N13 | C14 | N35 | C34 | 178.8° | 180.0° |
| C14 | N15 | C16 | C32 | 0.8° | 0.0° |
| C14 | N15 | C16 | N17 | 179.5° | 179.7° |
| N15 | C14 | N35 | C34 | 0.1° | 0.3° |
| N15 | C14 | N13 | H30 | 167.8° | 5.4° |
| N35 | C14 | N15 | C16 | 0.5° | 0.3° |
| C14 | N35 | C34 | C32 | 0.5° | 0.0° |
| C14 | N35 | C34 | H27 | 179.6° | 179.7° |
| N35 | C14 | N13 | H30 | 11.1° | 174.3° |
| C32 | C16 | N15 | N17 | 178.7° | 179.7° |
| C32 | C16 | N17 | C18 | 170.6° | 174.8° |
| C16 | C32 | C33 | C34 | 180.0° | 179.7° |
| C16 | C32 | C34 | N35 | 0.2° | 0.3° |
| C16 | C32 | C33 | H24 | 90.0° | 90.0° |
| C16 | C32 | C33 | H25 | 150.0° | 150.1° |
| C16 | C32 | C33 | H26 | 30.0° | 30.0° |
| C16 | C32 | C34 | H27 | 179.9° | 180.0° |
| C32 | C16 | N17 | H31 | 9.5° | 5.1° |
| N15 | C16 | N17 | C18 | 10.7° | 5.5° |
| N15 | C16 | C32 | C33 | 179.5° | 180.0° |
| N15 | C16 | C32 | C34 | 0.5° | 0.3° |
| N15 | C16 | N17 | H31 | 169.3° | 174.6° |
| C16 | N17 | C18 | C19 | 5.1° | 33.9° |
| C16 | N17 | C18 | H31 | 180.0° | 179.9° |
| N17 | C16 | C32 | C33 | 0.8° | 0.3° |
| N17 | C16 | C32 | C34 | 179.2° | 180.0° |
| C18 | C19 | C20 | H1 | 179.9° | 179.7° |
| C19 | C18 | C24 | H2 | 179.6° | 180.0° |
| C19 | C18 | N17 | H31 | 174.9° | 146.0° |
| N17 | C18 | C24 | H2 | 0.1° | 0.1° |
| N17 | C18 | C19 | H21 | 0.4° | 0.1° |
| C23 | N25 | S29 | C26 | 177.0° | 180.0° |
| C23 | N25 | S29 | O30 | 123.0° | 61.1° |
| C23 | N25 | S29 | O31 | 11.7° | 68.6° |
| N25 | C23 | C24 | H2 | 1.8° | 0.1° |
| C23 | N25 | C26 | H3 | 2.1° | 88.9° |
| C23 | N25 | C26 | H4 | 126.0° | 30.8° |
| C33 | C32 | C34 | N35 | 179.8° | 180.0° |
| C32 | C33 | H24 | H25 | 120.0° | 120.0° |
| C32 | C33 | H24 | H26 | 120.0° | 120.0° |
| C32 | C33 | H25 | H26 | 120.0° | 120.0° |
| C33 | C32 | C34 | H27 | 0.1° | 0.3° |
| C32 | C34 | N35 | H27 | 180.0° | 179.7° |
| C34 | C32 | C33 | H24 | 90.0° | 89.7° |
| C34 | C32 | C33 | H25 | 30.0° | 30.3° |
| C34 | C32 | C33 | H26 | 150.0° | 150.3° |
| F38 | C37 | C36 | H28 | 0.2° | 0.1° |
| N25 | S29 | O30 | O31 | 127.4° | 119.1° |
| S29 | N25 | C26 | H3 | 179.3° | 91.1° |
| S29 | N25 | C26 | H4 | 56.7° | 149.1° |
| N25 | S29 | C28 | H6 | 146.1° | 138.9° |
| N25 | S29 | C28 | H7 | 92.0° | 96.8° |
| O30 | S29 | C28 | H6 | 34.8° | 28.5° |
| O30 | S29 | C28 | H7 | 156.8° | 152.9° |
| O30 | S29 | N25 | C26 | 60.0° | 118.9° |
| O31 | S29 | C28 | H6 | 100.7° | 110.7° |
| O31 | S29 | C28 | H7 | 21.2° | 13.6° |
| O31 | S29 | N25 | C26 | 165.3° | 111.4° |
| H1 | C20 | C19 | H21 | 0.0° | 0.3° |
| H3 | C26 | H4 | N25 | 125.5° | 119.7° |
| H3 | C26 | C27 | H22 | 84.7° | 166.3° |
| H3 | C26 | C27 | H23 | 36.8° | 43.7° |
| H4 | C26 | C27 | H22 | 39.3° | 46.6° |
| H4 | C26 | C27 | H23 | 160.7° | 76.0° |
| H6 | C28 | C27 | H22 | 10.9° | 37.0° |
| H6 | C28 | C27 | H23 | 132.4° | 85.6° |
| H7 | C28 | C27 | H22 | 111.1° | 161.3° |
| H7 | C28 | C27 | H23 | 10.3° | 38.7° |
| H8 | C01 | H9 | H10 | 120.0° | 120.1° |
| H11 | C03 | C04 | H13 | 70.9° | 60.9° |
| H11 | C03 | C04 | H14 | 49.8° | 59.3° |
| H12 | C03 | C04 | H13 | 47.6° | 59.1° |
| H12 | C03 | C04 | H14 | 168.3° | 179.3° |
| H13 | C04 | C05 | H15 | 75.6° | 57.7° |
| H14 | C04 | C05 | H15 | 163.6° | 177.8° |
| H15 | C05 | C06 | H16 | 62.6° | 57.7° |
| H15 | C05 | C06 | H17 | 178.0° | 177.8° |
| H16 | C06 | C07 | H18 | 21.0° | 59.1° |
| H16 | C06 | C07 | H19 | 96.5° | 60.8° |
| H17 | C06 | C07 | H18 | 140.5° | 179.2° |
| H17 | C06 | C07 | H19 | 23.0° | 59.3° |
| H22 | C27 | C26 | N25 | 157.3° | 73.5° |
| H23 | C27 | C26 | N25 | 81.3° | 163.9° |
| H24 | C33 | H25 | H26 | 120.0° | 120.0° |
