A1JSK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | doub | 1.37Å | 1.40Å | Aromatic |
| C10 | C09 | sing | 1.42Å | 1.40Å | Aromatic |
| C11 | N12 | sing | 1.30Å | 1.32Å | Aromatic |
| C05 | C04 | sing | 1.51Å | 1.55Å | |
| O35 | C06 | sing | 1.36Å | 1.45Å | |
| O35 | C34 | sing | 1.43Å | 1.42Å | |
| C04 | C06 | doub | 1.40Å | 1.40Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.40Å | Aromatic |
| C06 | C07 | sing | 1.39Å | 1.41Å | Aromatic |
| C36 | C34 | sing | 1.53Å | 1.55Å | |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| N12 | C13 | doub | 1.35Å | 1.36Å | Aromatic |
| C03 | C02 | doub | 1.38Å | 1.41Å | Aromatic |
| C09 | C07 | sing | 1.47Å | 1.42Å | |
| C09 | C14 | doub | 1.40Å | 1.41Å | Aromatic |
| C07 | C08 | doub | 1.42Å | 1.39Å | Aromatic |
| C34 | C33 | sing | 1.53Å | 1.54Å | |
| C08 | C02 | sing | 1.37Å | 1.40Å | Aromatic |
| C02 | CL01 | sing | 1.73Å | 1.79Å | |
| C37 | C38 | sing | 1.53Å | 1.51Å | |
| C13 | C14 | sing | 1.40Å | 1.38Å | Aromatic |
| C13 | C17 | sing | 1.44Å | 1.41Å | Aromatic |
| C14 | S15 | sing | 1.76Å | 1.75Å | Aromatic |
| C33 | N32 | sing | 1.45Å | 1.37Å | |
| N32 | C38 | sing | 1.45Å | 1.35Å | |
| N32 | C31 | sing | 1.45Å | 1.32Å | |
| C31 | C30 | sing | 1.52Å | 1.57Å | |
| C17 | C16 | doub | 1.34Å | 1.38Å | Aromatic |
| S15 | C16 | sing | 1.73Å | 1.74Å | Aromatic |
| C16 | C18 | sing | 1.49Å | 1.55Å | |
| C30 | C29 | sing | 1.51Å | 1.54Å | |
| C29 | C28 | doub | 1.31Å | 1.33Å | |
| C18 | N19 | sing | 1.43Å | 1.47Å | |
| N19 | C24 | sing | 1.34Å | 1.46Å | |
| N19 | C20 | sing | 1.37Å | 1.40Å | |
| O25 | C24 | doub | 1.22Å | 1.18Å | |
| C28 | C27 | sing | 1.51Å | 1.55Å | |
| C24 | N23 | sing | 1.34Å | 1.50Å | |
| O21 | C20 | doub | 1.21Å | 1.18Å | |
| C20 | C22 | sing | 1.51Å | 1.50Å | |
| C27 | C26 | sing | 1.53Å | 1.56Å | |
| N23 | C22 | sing | 1.47Å | 1.48Å | |
| N23 | C26 | sing | 1.47Å | 1.49Å | |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C05 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C05 | H4 | sing | 1.09Å | 1.10Å | |
| C08 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.10Å | 1.10Å | |
| C27 | H15 | sing | 1.08Å | 1.10Å | |
| C27 | H16 | sing | 1.10Å | 1.10Å | |
| C28 | H17 | sing | 1.08Å | 1.08Å | |
| C29 | H18 | sing | 1.07Å | 1.08Å | |
| C30 | H19 | sing | 1.10Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C31 | H21 | sing | 1.10Å | 1.10Å | |
| C31 | H22 | sing | 1.09Å | 1.10Å | |
| C33 | H23 | sing | 1.10Å | 1.10Å | |
| C33 | H24 | sing | 1.07Å | 1.10Å | |
| C34 | H25 | sing | 1.11Å | 1.10Å | |
| C36 | H26 | sing | 1.09Å | 1.10Å | |
| C36 | H27 | sing | 1.09Å | 1.10Å | |
| C37 | H28 | sing | 1.09Å | 1.10Å | |
| C37 | H29 | sing | 1.09Å | 1.10Å | |
| C38 | H30 | sing | 1.08Å | 1.10Å | |
| C38 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C09 | 120.0° | 121.6° |
| C10 | C11 | N12 | 120.5° | 120.4° |
| C11 | C10 | H6 | 120.0° | 118.5° |
| C10 | C11 | H7 | 119.7° | 119.6° |
| C10 | C09 | C07 | 120.5° | 110.7° |
| C10 | C09 | C14 | 117.7° | 116.9° |
| C09 | C10 | H6 | 120.0° | 119.9° |
| C11 | N12 | C13 | 121.3° | 121.3° |
| N12 | C11 | H7 | 119.8° | 120.0° |
| C05 | C04 | C06 | 121.1° | 120.8° |
| C05 | C04 | C03 | 118.7° | 117.4° |
| C04 | C05 | H2 | 109.5° | 109.5° |
| C04 | C05 | H3 | 109.5° | 109.5° |
| C04 | C05 | H4 | 109.5° | 109.5° |
| C06 | O35 | C34 | 111.0° | 113.0° |
| O35 | C06 | C04 | 120.6° | 115.0° |
| O35 | C06 | C07 | 120.1° | 125.7° |
| O35 | C34 | C36 | 109.4° | 112.9° |
| O35 | C34 | C33 | 110.2° | 113.2° |
| O35 | C34 | H25 | 109.4° | 107.3° |
| C06 | C04 | C03 | 120.1° | 121.8° |
| C04 | C06 | C07 | 119.3° | 119.3° |
| C04 | C03 | C02 | 120.3° | 119.5° |
| C04 | C03 | H1 | 119.9° | 119.8° |
| C06 | C07 | C09 | 121.2° | 130.5° |
| C06 | C07 | C08 | 120.4° | 118.0° |
| C34 | C36 | C37 | 114.2° | 109.5° |
| C36 | C34 | C33 | 112.3° | 108.6° |
| C36 | C34 | H25 | 107.7° | 108.2° |
| C34 | C36 | H26 | 108.3° | 110.2° |
| C34 | C36 | H27 | 108.3° | 109.4° |
| C36 | C37 | C38 | 112.5° | 108.8° |
| C37 | C36 | H26 | 108.3° | 109.4° |
| C37 | C36 | H27 | 108.3° | 108.9° |
| C36 | C37 | H28 | 108.7° | 109.5° |
| C36 | C37 | H29 | 108.7° | 109.5° |
| N12 | C13 | C14 | 121.1° | 122.0° |
| N12 | C13 | C17 | 123.6° | 125.0° |
| C03 | C02 | C08 | 119.4° | 119.9° |
| C03 | C02 | CL01 | 120.7° | 120.3° |
| C02 | C03 | H1 | 119.9° | 120.7° |
| C07 | C09 | C14 | 121.8° | 132.3° |
| C09 | C07 | C08 | 118.4° | 111.4° |
| C09 | C14 | C13 | 119.4° | 117.7° |
| C09 | C14 | S15 | 134.2° | 133.8° |
| C07 | C08 | C02 | 120.4° | 121.4° |
| C07 | C08 | H5 | 119.8° | 119.9° |
| C34 | C33 | N32 | 113.7° | 110.7° |
| C34 | C33 | H23 | 108.4° | 108.7° |
| C34 | C33 | H24 | 108.4° | 109.0° |
| C33 | C34 | H25 | 107.8° | 106.3° |
| C08 | C02 | CL01 | 119.8° | 119.8° |
| C02 | C08 | H5 | 119.8° | 118.6° |
| C37 | C38 | N32 | 110.7° | 112.2° |
| C38 | C37 | H28 | 108.7° | 109.4° |
| C38 | C37 | H29 | 108.7° | 110.0° |
| C37 | C38 | H30 | 109.1° | 110.2° |
| C37 | C38 | H31 | 109.2° | 108.8° |
| C14 | C13 | C17 | 115.3° | 113.0° |
| C13 | C14 | S15 | 106.4° | 108.5° |
| C13 | C17 | C16 | 115.5° | 114.2° |
| C13 | C17 | H8 | 122.3° | 123.3° |
| C14 | S15 | C16 | 96.5° | 93.0° |
| C33 | N32 | C38 | 113.2° | 111.7° |
| C33 | N32 | C31 | 112.0° | 116.8° |
| N32 | C33 | H23 | 108.4° | 108.1° |
| N32 | C33 | H24 | 108.4° | 111.7° |
| C38 | N32 | C31 | 113.2° | 114.0° |
| N32 | C38 | H30 | 109.2° | 108.7° |
| N32 | C38 | H31 | 109.2° | 107.5° |
| N32 | C31 | C30 | 111.4° | 113.0° |
| N32 | C31 | H21 | 109.0° | 107.8° |
| N32 | C31 | H22 | 109.0° | 108.6° |
| C31 | C30 | C29 | 109.4° | 109.0° |
| C31 | C30 | H19 | 109.5° | 109.1° |
| C31 | C30 | H20 | 109.5° | 111.7° |
| C30 | C31 | H21 | 109.0° | 109.0° |
| C30 | C31 | H22 | 109.0° | 109.7° |
| C17 | C16 | S15 | 106.3° | 111.3° |
| C17 | C16 | C18 | 126.5° | 117.3° |
| C16 | C17 | H8 | 122.3° | 122.5° |
| S15 | C16 | C18 | 127.2° | 131.4° |
| C16 | C18 | N19 | 106.2° | 123.6° |
| C16 | C18 | H9 | 110.3° | 106.3° |
| C16 | C18 | H10 | 110.3° | 106.8° |
| C30 | C29 | C28 | 123.6° | 119.9° |
| C30 | C29 | H18 | 118.2° | 119.7° |
| C29 | C30 | H19 | 109.5° | 108.5° |
| C29 | C30 | H20 | 109.5° | 111.2° |
| C29 | C28 | C27 | 124.2° | 120.4° |
| C29 | C28 | H17 | 117.9° | 120.1° |
| C28 | C29 | H18 | 118.2° | 120.4° |
| C18 | N19 | C24 | 128.2° | 128.3° |
| C18 | N19 | C20 | 129.5° | 120.6° |
| N19 | C18 | H9 | 110.3° | 106.5° |
| N19 | C18 | H10 | 110.3° | 107.0° |
| C24 | N19 | C20 | 102.3° | 111.1° |
| N19 | C24 | O25 | 122.7° | 122.3° |
| N19 | C24 | N23 | 114.3° | 112.6° |
| N19 | C20 | O21 | 122.9° | 127.1° |
| N19 | C20 | C22 | 114.4° | 105.1° |
| O25 | C24 | N23 | 123.0° | 125.1° |
| C28 | C27 | C26 | 108.5° | 108.9° |
| C28 | C27 | H15 | 109.7° | 111.0° |
| C28 | C27 | H16 | 109.7° | 108.7° |
| C27 | C28 | H17 | 117.9° | 119.5° |
| C24 | N23 | C22 | 103.0° | 106.5° |
| C24 | N23 | C26 | 127.4° | 129.4° |
| O21 | C20 | C22 | 122.6° | 127.8° |
| C20 | C22 | N23 | 106.0° | 104.1° |
| C20 | C22 | H11 | 110.4° | 110.7° |
| C20 | C22 | H12 | 110.3° | 110.8° |
| C27 | C26 | N23 | 111.2° | 111.8° |
| C27 | C26 | H13 | 109.0° | 109.3° |
| C27 | C26 | H14 | 109.0° | 109.6° |
| C26 | C27 | H15 | 109.7° | 111.2° |
| C26 | C27 | H16 | 109.7° | 108.6° |
| C22 | N23 | C26 | 129.6° | 124.1° |
| N23 | C22 | H11 | 110.3° | 110.3° |
| N23 | C22 | H12 | 110.4° | 110.1° |
| N23 | C26 | H13 | 109.0° | 108.8° |
| N23 | C26 | H14 | 109.1° | 108.9° |
| H2 | C05 | H3 | 109.5° | 109.4° |
| H2 | C05 | H4 | 109.5° | 109.4° |
| H3 | C05 | H4 | 109.5° | 109.5° |
| H9 | C18 | H10 | 109.5° | 105.4° |
| H11 | C22 | H12 | 109.4° | 110.7° |
| H13 | C26 | H14 | 109.4° | 108.4° |
| H15 | C27 | H16 | 109.5° | 108.4° |
| H19 | C30 | H20 | 109.5° | 107.3° |
| H21 | C31 | H22 | 109.5° | 108.7° |
| H23 | C33 | H24 | 109.5° | 108.5° |
| H26 | C36 | H27 | 109.5° | 109.3° |
| H28 | C37 | H29 | 109.4° | 109.7° |
| H30 | C38 | H31 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C09 | H6 | 180.0° | 178.6° |
| C10 | C11 | N12 | H7 | 180.0° | 179.3° |
| C10 | C11 | N12 | C13 | 0.0° | 0.5° |
| C11 | C10 | C09 | C07 | 179.8° | 178.7° |
| C11 | C10 | C09 | C14 | 0.4° | 2.0° |
| C09 | C10 | C11 | N12 | 0.2° | 0.5° |
| C10 | C09 | C07 | C06 | 52.1° | 147.6° |
| C10 | C09 | C07 | C14 | 179.3° | 179.2° |
| C10 | C09 | C07 | C08 | 127.5° | 36.5° |
| C10 | C09 | C14 | C13 | 0.4° | 2.6° |
| C10 | C09 | C14 | S15 | 180.0° | 177.3° |
| C09 | C10 | C11 | H7 | 179.8° | 178.8° |
| C11 | N12 | C13 | C14 | 0.0° | 0.2° |
| C11 | N12 | C13 | C17 | 180.0° | 179.5° |
| N12 | C11 | C10 | H6 | 179.8° | 178.2° |
| C05 | C04 | C06 | O35 | 1.1° | 7.3° |
| C05 | C04 | C06 | C03 | 179.0° | 177.6° |
| C05 | C04 | C06 | C07 | 179.8° | 173.3° |
| C05 | C04 | C03 | C02 | 179.1° | 175.6° |
| C05 | C04 | C03 | H1 | 0.9° | 4.8° |
| C04 | C05 | H2 | H3 | 120.0° | 120.0° |
| C04 | C05 | H2 | H4 | 120.0° | 120.0° |
| C04 | C05 | H3 | H4 | 120.0° | 120.1° |
| O35 | C06 | C04 | C07 | 179.1° | 179.4° |
| O35 | C06 | C04 | C03 | 179.9° | 175.1° |
| C06 | O35 | C34 | C36 | 150.7° | 22.5° |
| O35 | C06 | C07 | C09 | 0.3° | 8.6° |
| O35 | C06 | C07 | C08 | 179.9° | 175.7° |
| C06 | O35 | C34 | C33 | 85.3° | 146.4° |
| C06 | O35 | C34 | H25 | 33.0° | 96.6° |
| C34 | O35 | C06 | C04 | 79.3° | 73.4° |
| C34 | O35 | C06 | C07 | 101.6° | 106.0° |
| O35 | C34 | C36 | C33 | 122.7° | 126.4° |
| O35 | C34 | C36 | H25 | 118.7° | 118.6° |
| O35 | C34 | C36 | C37 | 159.3° | 177.8° |
| O35 | C34 | C33 | H25 | 119.3° | 117.6° |
| O35 | C34 | C33 | N32 | 123.7° | 171.5° |
| O35 | C34 | C33 | H23 | 3.1° | 69.9° |
| O35 | C34 | C33 | H24 | 115.6° | 48.3° |
| O35 | C34 | C36 | H26 | 80.0° | 57.3° |
| O35 | C34 | C36 | H27 | 38.6° | 62.9° |
| C06 | C04 | C03 | C02 | 0.1° | 2.1° |
| C04 | C06 | C07 | C09 | 178.8° | 172.1° |
| C04 | C06 | C07 | C08 | 0.8° | 3.6° |
| C06 | C04 | C03 | H1 | 179.9° | 177.5° |
| C06 | C04 | C05 | H2 | 89.5° | 95.9° |
| C06 | C04 | C05 | H3 | 150.5° | 144.1° |
| C06 | C04 | C05 | H4 | 30.5° | 24.1° |
| C03 | C04 | C06 | C07 | 0.8° | 4.3° |
| C04 | C03 | C02 | H1 | 180.0° | 179.6° |
| C04 | C03 | C02 | C08 | 0.5° | 0.7° |
| C04 | C03 | C02 | CL01 | 179.9° | 179.8° |
| C03 | C04 | C05 | H2 | 89.5° | 81.8° |
| C03 | C04 | C05 | H3 | 30.5° | 38.2° |
| C03 | C04 | C05 | H4 | 150.5° | 158.2° |
| C06 | C07 | C09 | C08 | 179.6° | 175.9° |
| C06 | C07 | C09 | C14 | 128.5° | 31.6° |
| C06 | C07 | C08 | C02 | 0.1° | 0.9° |
| C06 | C07 | C08 | H5 | 179.9° | 179.3° |
| C34 | C36 | C37 | H26 | 120.7° | 120.9° |
| C34 | C36 | C37 | H27 | 120.7° | 119.6° |
| C36 | C34 | C33 | H25 | 118.5° | 116.2° |
| C34 | C36 | C37 | C38 | 21.0° | 1.5° |
| C36 | C34 | C33 | N32 | 1.5° | 62.3° |
| C36 | C34 | C33 | H23 | 119.1° | 56.4° |
| C36 | C34 | C33 | H24 | 122.1° | 174.5° |
| C34 | C36 | H26 | H27 | 117.9° | 120.3° |
| C34 | C36 | C37 | H28 | 99.4° | 121.1° |
| C34 | C36 | C37 | H29 | 141.5° | 118.7° |
| C37 | C36 | C34 | C33 | 36.5° | 55.8° |
| C36 | C37 | C38 | H28 | 120.5° | 119.6° |
| C36 | C37 | C38 | H29 | 120.5° | 119.9° |
| C36 | C37 | C38 | N32 | 30.4° | 58.8° |
| C37 | C36 | C34 | H25 | 82.0° | 59.2° |
| C37 | C36 | H26 | H27 | 117.9° | 119.2° |
| C36 | C37 | H28 | H29 | 118.6° | 120.1° |
| C36 | C37 | C38 | H30 | 89.8° | 62.5° |
| C36 | C37 | C38 | H31 | 150.6° | 177.7° |
| N12 | C13 | C14 | C09 | 0.2° | 1.8° |
| N12 | C13 | C14 | C17 | 180.0° | 179.8° |
| N12 | C13 | C14 | S15 | 179.9° | 178.1° |
| N12 | C13 | C17 | C16 | 179.7° | 178.9° |
| C13 | N12 | C11 | H7 | 180.0° | 179.8° |
| N12 | C13 | C17 | H8 | 0.3° | 1.2° |
| C03 | C02 | C08 | C07 | 0.6° | 1.3° |
| C03 | C02 | C08 | CL01 | 179.6° | 179.4° |
| C03 | C02 | C08 | H5 | 179.4° | 178.5° |
| C09 | C07 | C08 | C02 | 179.5° | 175.6° |
| C07 | C09 | C14 | C13 | 179.8° | 178.3° |
| C07 | C09 | C14 | S15 | 0.6° | 1.8° |
| C09 | C07 | C08 | H5 | 0.5° | 4.2° |
| C07 | C09 | C10 | H6 | 0.2° | 2.7° |
| C14 | C09 | C07 | C08 | 51.9° | 144.3° |
| C09 | C14 | C13 | S15 | 179.7° | 179.9° |
| C09 | C14 | C13 | C17 | 179.8° | 178.0° |
| C09 | C14 | S15 | C16 | 180.0° | 178.2° |
| C14 | C09 | C10 | H6 | 179.6° | 176.6° |
| C07 | C08 | C02 | H5 | 180.0° | 179.8° |
| C07 | C08 | C02 | CL01 | 179.9° | 179.2° |
| C34 | C33 | N32 | H23 | 120.6° | 119.0° |
| C34 | C33 | N32 | H24 | 120.6° | 121.7° |
| C34 | C33 | N32 | C38 | 54.9° | 6.1° |
| C34 | C33 | N32 | C31 | 175.6° | 127.5° |
| C34 | C33 | H23 | H24 | 118.1° | 118.5° |
| C33 | C34 | C36 | H26 | 157.3° | 176.3° |
| C33 | C34 | C36 | H27 | 84.1° | 63.5° |
| C08 | C02 | C03 | H1 | 179.4° | 179.7° |
| CL01 | C02 | C03 | H1 | 0.1° | 0.3° |
| CL01 | C02 | C08 | H5 | 0.1° | 0.9° |
| C37 | C38 | N32 | C33 | 72.9° | 54.8° |
| C37 | C38 | N32 | H30 | 120.2° | 122.2° |
| C37 | C38 | N32 | H31 | 120.2° | 119.6° |
| C37 | C38 | N32 | C31 | 158.3° | 170.2° |
| C38 | C37 | C36 | H26 | 141.7° | 119.4° |
| C38 | C37 | C36 | H27 | 99.7° | 121.2° |
| C38 | C37 | H28 | H29 | 118.6° | 120.7° |
| C37 | C38 | H30 | H31 | 119.4° | 119.5° |
| C14 | C13 | C17 | C16 | 0.2° | 1.4° |
| C13 | C14 | S15 | C16 | 0.3° | 1.9° |
| C14 | C13 | C17 | H8 | 179.8° | 178.5° |
| C17 | C13 | C14 | S15 | 0.1° | 2.1° |
| C13 | C17 | C16 | H8 | 180.0° | 179.9° |
| C13 | C17 | C16 | S15 | 0.5° | 0.1° |
| C13 | C17 | C16 | C18 | 179.6° | 179.9° |
| C14 | S15 | C16 | C17 | 0.4° | 1.2° |
| C14 | S15 | C16 | C18 | 179.6° | 178.8° |
| C33 | N32 | C38 | C31 | 128.8° | 135.0° |
| C33 | N32 | C31 | C30 | 64.0° | 5.8° |
| C33 | N32 | C31 | H21 | 175.8° | 114.7° |
| C33 | N32 | C31 | H22 | 56.4° | 127.8° |
| N32 | C33 | H23 | H24 | 118.1° | 121.3° |
| N32 | C33 | C34 | H25 | 117.0° | 53.9° |
| C33 | N32 | C38 | H30 | 47.3° | 67.4° |
| C33 | N32 | C38 | H31 | 166.9° | 174.4° |
| C38 | N32 | C31 | C30 | 65.5° | 126.8° |
| C38 | N32 | C31 | H21 | 54.8° | 112.7° |
| C38 | N32 | C31 | H22 | 174.2° | 4.8° |
| C38 | N32 | C33 | H23 | 175.5° | 112.9° |
| C38 | N32 | C33 | H24 | 65.7° | 127.8° |
| N32 | C38 | C37 | H28 | 150.9° | 178.4° |
| N32 | C38 | C37 | H29 | 90.0° | 61.1° |
| N32 | C38 | H30 | H31 | 119.4° | 117.1° |
| N32 | C31 | C30 | H21 | 120.3° | 119.8° |
| N32 | C31 | C30 | H22 | 120.3° | 121.4° |
| N32 | C31 | C30 | C29 | 168.9° | 82.7° |
| N32 | C31 | C30 | H19 | 71.1° | 159.0° |
| N32 | C31 | C30 | H20 | 48.9° | 40.5° |
| N32 | C31 | H21 | H22 | 119.1° | 117.5° |
| C31 | N32 | C33 | H23 | 55.0° | 113.5° |
| C31 | N32 | C33 | H24 | 63.7° | 5.9° |
| C31 | N32 | C38 | H30 | 81.6° | 67.6° |
| C31 | N32 | C38 | H31 | 38.1° | 50.6° |
| C31 | C30 | C29 | H19 | 120.0° | 118.7° |
| C31 | C30 | C29 | H20 | 120.0° | 123.5° |
| C31 | C30 | C29 | C28 | 141.4° | 166.3° |
| C31 | C30 | C29 | H18 | 38.6° | 12.0° |
| C31 | C30 | H19 | H20 | 120.0° | 121.2° |
| C30 | C31 | H21 | H22 | 119.1° | 119.5° |
| C17 | C16 | S15 | C18 | 179.2° | 180.0° |
| C17 | C16 | C18 | N19 | 101.3° | 140.7° |
| C17 | C16 | C18 | H9 | 18.2° | 17.4° |
| C17 | C16 | C18 | H10 | 139.2° | 94.8° |
| S15 | C16 | C18 | N19 | 77.8° | 39.3° |
| S15 | C16 | C17 | H8 | 179.6° | 180.0° |
| S15 | C16 | C18 | H9 | 162.8° | 162.6° |
| S15 | C16 | C18 | H10 | 41.7° | 85.2° |
| C16 | C18 | N19 | H9 | 119.5° | 123.2° |
| C16 | C18 | N19 | H10 | 119.5° | 124.4° |
| C16 | C18 | N19 | C24 | 98.1° | 33.7° |
| C16 | C18 | N19 | C20 | 80.3° | 146.4° |
| C18 | C16 | C17 | H8 | 0.4° | 0.0° |
| C16 | C18 | H9 | H10 | 121.5° | 113.1° |
| C30 | C29 | C28 | H18 | 180.0° | 178.3° |
| C30 | C29 | C28 | C27 | 179.8° | 176.8° |
| C30 | C29 | C28 | H17 | 0.2° | 3.0° |
| C29 | C30 | H19 | H20 | 120.0° | 120.2° |
| C29 | C30 | C31 | H21 | 48.7° | 37.1° |
| C29 | C30 | C31 | H22 | 70.8° | 156.0° |
| C29 | C28 | C27 | H17 | 180.0° | 179.8° |
| C29 | C28 | C27 | C26 | 99.9° | 160.7° |
| C29 | C28 | C27 | H15 | 140.3° | 38.0° |
| C29 | C28 | C27 | H16 | 20.0° | 81.1° |
| C28 | C29 | C30 | H19 | 98.6° | 47.6° |
| C28 | C29 | C30 | H20 | 21.4° | 70.2° |
| C18 | N19 | C24 | C20 | 178.8° | 179.9° |
| C18 | N19 | C24 | O25 | 1.0° | 7.1° |
| C18 | N19 | C24 | N23 | 179.2° | 173.9° |
| C18 | N19 | C20 | O21 | 1.3° | 1.4° |
| C18 | N19 | C20 | C22 | 179.4° | 178.8° |
| N19 | C18 | H9 | H10 | 121.5° | 113.4° |
| N19 | C24 | O25 | N23 | 179.8° | 178.8° |
| C24 | N19 | C20 | O21 | 180.0° | 178.7° |
| C24 | N19 | C20 | C22 | 0.7° | 1.2° |
| N19 | C24 | N23 | C22 | 0.0° | 8.0° |
| N19 | C24 | N23 | C26 | 179.5° | 171.4° |
| C24 | N19 | C18 | H9 | 21.4° | 89.5° |
| C24 | N19 | C18 | H10 | 142.4° | 158.1° |
| C20 | N19 | C24 | O25 | 179.7° | 172.9° |
| C20 | N19 | C24 | N23 | 0.4° | 6.0° |
| N19 | C20 | O21 | C22 | 179.2° | 179.9° |
| N19 | C20 | C22 | N23 | 0.7° | 3.4° |
| C20 | N19 | C18 | H9 | 160.2° | 90.4° |
| C20 | N19 | C18 | H10 | 39.2° | 21.9° |
| N19 | C20 | C22 | H11 | 118.8° | 121.9° |
| N19 | C20 | C22 | H12 | 120.2° | 114.9° |
| O25 | C24 | N23 | C22 | 179.9° | 170.9° |
| O25 | C24 | N23 | C26 | 0.4° | 9.7° |
| C28 | C27 | C26 | H15 | 119.8° | 122.5° |
| C28 | C27 | C26 | H16 | 119.9° | 118.2° |
| C28 | C27 | C26 | N23 | 29.6° | 93.2° |
| C28 | C27 | C26 | H13 | 90.7° | 27.3° |
| C28 | C27 | C26 | H14 | 149.9° | 146.0° |
| C28 | C27 | H15 | H16 | 120.4° | 119.3° |
| C27 | C28 | C29 | H18 | 0.2° | 1.5° |
| C24 | N23 | C22 | C20 | 0.4° | 6.8° |
| C24 | N23 | C26 | C27 | 85.4° | 0.4° |
| C24 | N23 | C22 | C26 | 179.5° | 179.5° |
| C24 | N23 | C22 | H11 | 119.1° | 125.6° |
| C24 | N23 | C22 | H12 | 119.8° | 112.0° |
| C24 | N23 | C26 | H13 | 154.4° | 120.3° |
| C24 | N23 | C26 | H14 | 34.9° | 121.7° |
| O21 | C20 | C22 | N23 | 180.0° | 176.7° |
| O21 | C20 | C22 | H11 | 60.5° | 58.2° |
| O21 | C20 | C22 | H12 | 60.5° | 65.0° |
| C20 | C22 | N23 | H11 | 119.5° | 118.8° |
| C20 | C22 | N23 | H12 | 119.5° | 118.7° |
| C20 | C22 | N23 | C26 | 179.8° | 172.7° |
| C20 | C22 | H11 | H12 | 121.6° | 123.3° |
| C27 | C26 | N23 | C22 | 95.3° | 178.9° |
| C27 | C26 | N23 | H13 | 120.3° | 120.7° |
| C27 | C26 | N23 | H14 | 120.3° | 121.3° |
| C27 | C26 | H13 | H14 | 119.2° | 119.4° |
| C26 | C27 | H15 | H16 | 120.5° | 119.4° |
| C26 | C27 | C28 | H17 | 80.1° | 19.5° |
| N23 | C22 | H11 | H12 | 121.6° | 122.1° |
| C22 | N23 | C26 | H13 | 25.0° | 60.3° |
| C22 | N23 | C26 | H14 | 144.5° | 57.7° |
| C26 | N23 | C22 | H11 | 60.4° | 53.9° |
| C26 | N23 | C22 | H12 | 60.7° | 68.5° |
| N23 | C26 | H13 | H14 | 119.2° | 118.3° |
| N23 | C26 | C27 | H15 | 149.5° | 29.4° |
| N23 | C26 | C27 | H16 | 90.2° | 148.6° |
| H2 | C05 | H3 | H4 | 120.0° | 119.9° |
| H6 | C10 | C11 | H7 | 0.2° | 2.5° |
| H13 | C26 | C27 | H15 | 29.2° | 149.8° |
| H13 | C26 | C27 | H16 | 149.5° | 91.0° |
| H14 | C26 | C27 | H15 | 90.3° | 91.5° |
| H14 | C26 | C27 | H16 | 30.1° | 27.7° |
| H15 | C27 | C28 | H17 | 39.7° | 142.2° |
| H16 | C27 | C28 | H17 | 160.0° | 98.7° |
| H17 | C28 | C29 | H18 | 179.8° | 178.7° |
| H18 | C29 | C30 | H19 | 81.4° | 130.7° |
| H18 | C29 | C30 | H20 | 158.6° | 111.5° |
| H19 | C30 | C31 | H21 | 168.6° | 81.2° |
| H19 | C30 | C31 | H22 | 49.2° | 37.7° |
| H20 | C30 | C31 | H21 | 71.3° | 160.3° |
| H20 | C30 | C31 | H22 | 169.2° | 80.8° |
| H23 | C33 | C34 | H25 | 122.4° | 172.6° |
| H24 | C33 | C34 | H25 | 3.7° | 69.3° |
| H25 | C34 | C36 | H26 | 38.7° | 61.3° |
| H25 | C34 | C36 | H27 | 157.3° | 178.5° |
| H26 | C36 | C37 | H28 | 21.3° | 0.2° |
| H26 | C36 | C37 | H29 | 97.8° | 120.4° |
| H27 | C36 | C37 | H28 | 139.9° | 119.3° |
| H27 | C36 | C37 | H29 | 20.8° | 0.9° |
| H28 | C37 | C38 | H30 | 30.7° | 57.1° |
| H28 | C37 | C38 | H31 | 88.9° | 62.7° |
| H29 | C37 | C38 | H30 | 149.8° | 177.6° |
| H29 | C37 | C38 | H31 | 30.2° | 57.8° |
