A1BVV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S1 | C24 | sing | 1.81Å | 1.77Å | |
| C12 | C11 | sing | 1.41Å | 1.42Å | Aromatic |
| C12 | C13 | doub | 1.41Å | 1.43Å | Aromatic |
| C12 | C19 | sing | 1.41Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.36Å | 1.40Å | Aromatic |
| C10 | C09 | sing | 1.47Å | 1.53Å | |
| C10 | N20 | sing | 1.38Å | 1.33Å | Aromatic |
| C13 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | O14 | sing | 1.36Å | 1.42Å | |
| C15 | O14 | sing | 1.43Å | 1.41Å | |
| C02 | C03 | sing | 1.51Å | 1.53Å | |
| C02 | N22 | sing | 1.35Å | 1.46Å | |
| C02 | O01 | doub | 1.21Å | 1.19Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C03 | N08 | sing | 1.47Å | 1.46Å | |
| C04 | C05 | sing | 1.53Å | 1.55Å | |
| C05 | C06 | sing | 1.53Å | 1.52Å | |
| C05 | C07 | sing | 1.53Å | 1.53Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| C09 | N08 | sing | 1.35Å | 1.46Å | |
| C09 | O21 | doub | 1.22Å | 1.18Å | |
| C16 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.42Å | Aromatic |
| C19 | N20 | sing | 1.38Å | 1.37Å | Aromatic |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | C26 | sing | 1.53Å | 1.53Å | |
| C23 | N22 | sing | 1.46Å | 1.44Å | |
| C24 | O25 | sing | 1.43Å | 1.41Å | |
| C26 | C27 | sing | 1.53Å | 1.62Å | |
| C27 | C28 | sing | 1.51Å | 1.62Å | |
| C27 | C31 | sing | 1.53Å | 1.28Å | |
| C28 | N29 | sing | 1.35Å | 1.59Å | |
| C28 | O32 | doub | 1.21Å | 1.19Å | |
| C30 | N29 | sing | 1.47Å | 1.32Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| C31 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| N08 | H28 | sing | 0.97Å | 1.00Å | |
| N20 | H29 | sing | 0.97Å | 1.00Å | |
| N22 | H30 | sing | 0.97Å | 1.00Å | |
| N29 | H31 | sing | 0.97Å | 1.00Å | |
| O25 | H32 | sing | 0.97Å | 0.95Å | |
| S1 | O1 | doub | 1.42Å | 1.76Å | |
| S1 | O2 | doub | 1.42Å | 39.30Å | |
| S1 | O3 | sing | 1.52Å | 39.30Å | |
| O3 | H1 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S1 | C24 | C23 | 106.3° | 109.5° |
| S1 | C24 | O25 | 120.2° | 109.4° |
| S1 | C24 | H18 | 105.7° | 109.5° |
| C24 | S1 | O1 | 106.6° | 110.5° |
| C24 | S1 | O2 | 122.6° | 110.5° |
| C24 | S1 | O3 | 122.6° | 104.4° |
| C11 | C12 | C13 | 134.8° | 133.4° |
| C11 | C12 | C19 | 106.2° | 107.0° |
| C12 | C11 | C10 | 106.5° | 107.8° |
| C12 | C11 | H2 | 126.7° | 126.0° |
| C13 | C12 | C19 | 119.0° | 119.7° |
| C12 | C13 | C16 | 119.4° | 119.6° |
| C12 | C13 | O14 | 121.2° | 120.2° |
| C12 | C19 | C18 | 121.3° | 119.5° |
| C12 | C19 | N20 | 108.6° | 107.4° |
| C11 | C10 | C09 | 127.7° | 125.5° |
| C11 | C10 | N20 | 108.8° | 109.1° |
| C10 | C11 | H2 | 126.8° | 126.1° |
| C09 | C10 | N20 | 123.4° | 125.4° |
| C10 | C09 | N08 | 121.2° | 120.0° |
| C10 | C09 | O21 | 118.8° | 120.0° |
| C10 | N20 | C19 | 109.8° | 108.7° |
| C10 | N20 | H29 | 125.1° | 125.6° |
| C16 | C13 | O14 | 119.4° | 120.2° |
| C13 | C16 | C17 | 120.9° | 120.4° |
| C13 | C16 | H14 | 119.5° | 119.8° |
| C13 | O14 | C15 | 114.9° | 117.0° |
| O14 | C15 | H3 | 109.5° | 109.5° |
| O14 | C15 | H4 | 109.5° | 109.5° |
| O14 | C15 | H5 | 109.5° | 109.4° |
| C03 | C02 | N22 | 116.9° | 120.0° |
| C03 | C02 | O01 | 121.0° | 120.0° |
| C02 | C03 | C04 | 106.3° | 109.5° |
| C02 | C03 | N08 | 113.8° | 109.5° |
| C02 | C03 | H6 | 109.4° | 109.5° |
| N22 | C02 | O01 | 122.0° | 120.0° |
| C02 | N22 | C23 | 122.2° | 120.0° |
| C02 | N22 | H30 | 118.9° | 120.0° |
| C04 | C03 | N08 | 107.5° | 109.5° |
| C03 | C04 | C05 | 114.8° | 109.5° |
| C04 | C03 | H6 | 109.3° | 109.5° |
| C03 | C04 | H7 | 108.1° | 109.5° |
| C03 | C04 | H8 | 108.1° | 109.5° |
| C03 | N08 | C09 | 117.7° | 120.0° |
| N08 | C03 | H6 | 110.4° | 109.5° |
| C03 | N08 | H28 | 121.1° | 120.0° |
| C04 | C05 | C06 | 111.5° | 117.5° |
| C04 | C05 | C07 | 119.4° | 117.5° |
| C05 | C04 | H7 | 108.1° | 109.5° |
| C05 | C04 | H8 | 108.1° | 109.4° |
| C04 | C05 | H9 | 117.3° | 115.5° |
| C06 | C05 | C07 | 60.1° | 60.0° |
| C05 | C06 | C07 | 60.2° | 60.0° |
| C06 | C05 | H9 | 117.8° | 117.6° |
| C05 | C06 | H10 | 119.9° | 117.6° |
| C05 | C06 | H11 | 120.0° | 117.5° |
| C05 | C07 | C06 | 59.7° | 60.0° |
| C07 | C05 | H9 | 117.6° | 117.5° |
| C05 | C07 | H12 | 120.0° | 117.5° |
| C05 | C07 | H13 | 120.0° | 117.5° |
| C07 | C06 | H10 | 120.0° | 117.6° |
| C07 | C06 | H11 | 120.0° | 117.5° |
| C06 | C07 | H12 | 120.0° | 117.5° |
| C06 | C07 | H13 | 120.1° | 117.4° |
| N08 | C09 | O21 | 120.0° | 120.1° |
| C09 | N08 | H28 | 121.1° | 120.1° |
| C16 | C17 | C18 | 119.9° | 120.7° |
| C17 | C16 | H14 | 119.5° | 119.8° |
| C16 | C17 | H15 | 120.1° | 119.6° |
| C17 | C18 | C19 | 119.5° | 120.1° |
| C18 | C17 | H15 | 120.0° | 119.7° |
| C17 | C18 | H16 | 120.3° | 119.9° |
| C18 | C19 | N20 | 130.1° | 133.1° |
| C19 | C18 | H16 | 120.3° | 119.9° |
| C19 | N20 | H29 | 125.1° | 125.6° |
| C24 | C23 | C26 | 109.7° | 109.5° |
| C24 | C23 | N22 | 105.8° | 109.5° |
| C23 | C24 | O25 | 105.9° | 109.5° |
| C24 | C23 | H17 | 110.0° | 109.5° |
| C23 | C24 | H18 | 108.2° | 109.5° |
| C26 | C23 | N22 | 109.9° | 109.5° |
| C23 | C26 | C27 | 112.7° | 109.5° |
| C26 | C23 | H17 | 110.0° | 109.5° |
| C23 | C26 | H19 | 108.7° | 109.5° |
| C23 | C26 | H20 | 108.7° | 109.5° |
| N22 | C23 | H17 | 111.3° | 109.5° |
| C23 | N22 | H30 | 118.9° | 120.0° |
| O25 | C24 | H18 | 109.9° | 109.4° |
| C24 | O25 | H32 | 109.5° | 114.0° |
| C26 | C27 | C28 | 110.3° | 109.5° |
| C26 | C27 | C31 | 113.4° | 109.4° |
| C27 | C26 | H19 | 108.7° | 109.4° |
| C27 | C26 | H20 | 108.7° | 109.5° |
| C26 | C27 | H21 | 107.7° | 109.5° |
| C28 | C27 | C31 | 105.0° | 109.5° |
| C27 | C28 | N29 | 105.4° | 120.0° |
| C27 | C28 | O32 | 126.9° | 120.0° |
| C28 | C27 | H21 | 107.7° | 109.5° |
| C31 | C27 | H21 | 112.5° | 109.5° |
| C27 | C31 | H25 | 109.5° | 109.6° |
| C27 | C31 | H26 | 109.5° | 109.5° |
| C27 | C31 | H27 | 109.5° | 109.5° |
| N29 | C28 | O32 | 127.7° | 120.0° |
| C28 | N29 | C30 | 105.6° | 120.0° |
| C28 | N29 | H31 | 127.2° | 120.0° |
| N29 | C30 | H22 | 109.5° | 109.4° |
| N29 | C30 | H23 | 109.5° | 109.5° |
| N29 | C30 | H24 | 109.5° | 109.4° |
| C30 | N29 | H31 | 127.2° | 120.0° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H3 | C15 | H5 | 109.4° | 109.5° |
| H4 | C15 | H5 | 109.5° | 109.4° |
| H7 | C04 | H8 | 109.5° | 109.4° |
| H10 | C06 | H11 | 109.5° | 115.5° |
| H12 | C07 | H13 | 109.5° | 115.6° |
| H19 | C26 | H20 | 109.5° | 109.5° |
| H22 | C30 | H23 | 109.5° | 109.5° |
| H22 | C30 | H24 | 109.5° | 109.4° |
| H23 | C30 | H24 | 109.4° | 109.5° |
| H25 | C31 | H26 | 109.4° | 109.5° |
| H25 | C31 | H27 | 109.4° | 109.4° |
| H26 | C31 | H27 | 109.5° | 109.4° |
| O1 | S1 | O2 | 130.7° | 121.1° |
| O1 | S1 | O3 | 130.7° | 104.3° |
| O2 | S1 | O3 | 0.0° | 104.3° |
| S1 | O3 | H1 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S1 | C24 | C23 | O25 | 129.0° | 120.0° |
| S1 | C24 | C23 | H18 | 113.2° | 120.0° |
| S1 | C24 | C23 | C26 | 54.4° | 64.5° |
| S1 | C24 | C23 | N22 | 64.1° | 55.5° |
| S1 | C24 | O25 | H18 | 123.0° | 120.0° |
| S1 | C24 | C23 | H17 | 175.6° | 175.5° |
| S1 | C24 | O25 | H32 | 180.0° | 180.0° |
| C24 | S1 | O1 | O2 | 175.5° | 131.5° |
| C24 | S1 | O1 | O3 | 175.5° | 111.7° |
| C24 | S1 | O2 | O3 | 90.0° | 111.7° |
| C24 | S1 | O3 | H1 | 90.0° | 180.0° |
| C11 | C12 | C13 | C19 | 179.2° | 179.6° |
| C12 | C11 | C10 | H2 | 180.0° | 180.0° |
| C12 | C11 | C10 | C09 | 178.4° | 180.0° |
| C12 | C11 | C10 | N20 | 1.2° | 0.5° |
| C11 | C12 | C13 | C16 | 179.8° | 180.0° |
| C11 | C12 | C13 | O14 | 0.1° | 0.0° |
| C11 | C12 | C19 | C18 | 179.8° | 179.6° |
| C11 | C12 | C19 | N20 | 0.1° | 0.0° |
| C13 | C12 | C11 | C10 | 180.0° | 180.0° |
| C12 | C13 | C16 | O14 | 180.0° | 180.0° |
| C12 | C13 | O14 | C15 | 178.0° | 179.9° |
| C12 | C13 | C16 | C17 | 0.7° | 0.0° |
| C13 | C12 | C19 | C18 | 0.4° | 0.7° |
| C13 | C12 | C19 | N20 | 179.5° | 179.7° |
| C13 | C12 | C11 | H2 | 0.0° | 0.0° |
| C12 | C13 | C16 | H14 | 179.3° | 180.0° |
| C19 | C12 | C11 | C10 | 0.8° | 0.3° |
| C12 | C19 | N20 | C10 | 0.7° | 0.3° |
| C19 | C12 | C13 | C16 | 0.7° | 0.4° |
| C19 | C12 | C13 | O14 | 179.3° | 179.7° |
| C12 | C19 | C18 | C17 | 0.2° | 0.7° |
| C12 | C19 | C18 | N20 | 179.8° | 179.5° |
| C19 | C12 | C11 | H2 | 179.2° | 179.7° |
| C12 | C19 | C18 | H16 | 179.9° | 179.7° |
| C12 | C19 | N20 | H29 | 179.3° | 179.8° |
| C11 | C10 | C09 | N20 | 176.7° | 179.5° |
| C11 | C10 | C09 | N08 | 21.7° | 180.0° |
| C11 | C10 | C09 | O21 | 155.6° | 0.0° |
| C11 | C10 | N20 | C19 | 1.2° | 0.5° |
| C11 | C10 | N20 | H29 | 178.8° | 180.0° |
| C10 | C09 | N08 | C03 | 177.4° | 180.0° |
| C10 | C09 | N08 | O21 | 177.3° | 180.0° |
| C09 | C10 | N20 | C19 | 178.5° | 180.0° |
| C09 | C10 | C11 | H2 | 1.6° | 0.1° |
| C10 | C09 | N08 | H28 | 2.6° | 0.0° |
| C09 | C10 | N20 | H29 | 1.5° | 0.5° |
| N20 | C10 | C09 | N08 | 161.5° | 0.5° |
| N20 | C10 | C09 | O21 | 21.1° | 179.5° |
| C10 | N20 | C19 | C18 | 179.4° | 179.2° |
| C10 | N20 | C19 | H29 | 180.0° | 179.5° |
| N20 | C10 | C11 | H2 | 178.8° | 179.5° |
| C16 | C13 | O14 | C15 | 2.0° | 0.0° |
| C13 | C16 | C17 | H14 | 180.0° | 180.0° |
| C13 | C16 | C17 | C18 | 0.4° | 0.0° |
| C13 | C16 | C17 | H15 | 179.6° | 180.0° |
| O14 | C13 | C16 | C17 | 179.3° | 180.0° |
| C13 | O14 | C15 | H3 | 180.0° | 60.0° |
| C13 | O14 | C15 | H4 | 60.0° | 180.0° |
| C13 | O14 | C15 | H5 | 60.0° | 60.1° |
| O14 | C13 | C16 | H14 | 0.7° | 0.0° |
| O14 | C15 | H3 | H4 | 120.0° | 120.0° |
| O14 | C15 | H3 | H5 | 120.0° | 120.0° |
| O14 | C15 | H4 | H5 | 120.0° | 119.9° |
| C03 | C02 | N22 | O01 | 178.9° | 179.9° |
| C02 | C03 | C04 | N08 | 122.2° | 120.0° |
| C02 | C03 | C04 | H6 | 118.0° | 120.0° |
| C02 | C03 | N08 | H6 | 123.4° | 120.0° |
| C02 | C03 | C04 | C05 | 122.5° | 175.0° |
| C02 | C03 | N08 | C09 | 62.2° | 155.0° |
| C03 | C02 | N22 | C23 | 178.3° | 180.0° |
| C02 | C03 | C04 | H7 | 116.7° | 65.0° |
| C02 | C03 | C04 | H8 | 1.7° | 55.0° |
| C02 | C03 | N08 | H28 | 117.8° | 25.0° |
| C03 | C02 | N22 | H30 | 1.7° | 0.0° |
| N22 | C02 | C03 | C04 | 96.1° | 60.0° |
| N22 | C02 | C03 | N08 | 145.8° | 180.0° |
| C02 | N22 | C23 | C24 | 130.9° | 85.0° |
| C02 | N22 | C23 | C26 | 110.7° | 155.0° |
| C02 | N22 | C23 | H30 | 180.0° | 180.0° |
| N22 | C02 | C03 | H6 | 21.9° | 60.0° |
| C02 | N22 | C23 | H17 | 11.4° | 35.1° |
| O01 | C02 | C03 | C04 | 82.8° | 120.0° |
| O01 | C02 | C03 | N08 | 35.3° | 0.0° |
| O01 | C02 | N22 | C23 | 0.6° | 0.1° |
| O01 | C02 | C03 | H6 | 159.2° | 120.0° |
| O01 | C02 | N22 | H30 | 179.4° | 180.0° |
| C04 | C03 | N08 | H6 | 119.1° | 120.0° |
| C03 | C04 | C05 | H7 | 120.8° | 120.0° |
| C03 | C04 | C05 | H8 | 120.8° | 120.0° |
| C03 | C04 | C05 | C06 | 113.2° | 175.0° |
| C03 | C04 | C05 | C07 | 46.3° | 116.4° |
| C04 | C03 | N08 | C09 | 179.6° | 85.0° |
| C03 | C04 | H7 | H8 | 117.6° | 120.0° |
| C03 | C04 | C05 | H9 | 106.7° | 29.3° |
| C04 | C03 | N08 | H28 | 0.4° | 95.0° |
| N08 | C03 | C04 | C05 | 115.3° | 65.0° |
| C03 | N08 | C09 | H28 | 180.0° | 180.0° |
| C03 | N08 | C09 | O21 | 0.0° | 0.0° |
| N08 | C03 | C04 | H7 | 5.5° | 55.0° |
| N08 | C03 | C04 | H8 | 124.0° | 175.0° |
| C04 | C05 | C06 | C07 | 112.5° | 107.5° |
| C04 | C05 | C06 | H9 | 139.9° | 145.0° |
| C04 | C05 | C07 | H9 | 152.9° | 145.0° |
| C05 | C04 | C03 | H6 | 4.5° | 55.0° |
| C05 | C04 | H7 | H8 | 117.5° | 119.9° |
| C04 | C05 | C06 | H10 | 3.0° | 0.0° |
| C04 | C05 | C06 | H11 | 138.0° | 145.0° |
| C04 | C05 | C07 | H12 | 151.4° | 145.0° |
| C04 | C05 | C07 | H13 | 10.1° | 0.1° |
| C06 | C05 | C07 | H9 | 107.8° | 107.6° |
| C05 | C06 | C07 | H10 | 109.5° | 107.5° |
| C05 | C06 | C07 | H11 | 109.5° | 107.4° |
| C06 | C05 | C04 | H7 | 7.6° | 65.0° |
| C06 | C05 | C04 | H8 | 126.0° | 55.0° |
| C05 | C06 | H10 | H11 | 144.6° | 145.7° |
| C06 | C05 | C07 | H12 | 109.4° | 107.5° |
| C06 | C05 | C07 | H13 | 109.4° | 107.4° |
| C07 | C05 | C04 | H7 | 74.5° | 3.7° |
| C07 | C05 | C04 | H8 | 167.1° | 123.6° |
| C05 | C07 | H12 | H13 | 144.9° | 145.7° |
| C07 | C06 | H10 | H11 | 144.7° | 145.7° |
| C06 | C07 | H12 | H13 | 145.0° | 145.6° |
| C09 | N08 | C03 | H6 | 61.2° | 35.0° |
| O21 | C09 | N08 | H28 | 180.0° | 180.0° |
| C16 | C17 | C18 | H15 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.2° | 0.3° |
| C16 | C17 | C18 | H16 | 179.9° | 180.0° |
| C17 | C18 | C19 | H16 | 180.0° | 179.7° |
| C17 | C18 | C19 | N20 | 179.7° | 179.9° |
| C18 | C17 | C16 | H14 | 179.5° | 180.0° |
| C19 | C18 | C17 | H15 | 179.9° | 179.7° |
| C18 | C19 | N20 | H29 | 0.6° | 0.3° |
| N20 | C19 | C18 | H16 | 0.3° | 0.2° |
| C24 | C23 | C26 | N22 | 115.9° | 120.0° |
| C24 | C23 | C26 | H17 | 121.2° | 120.0° |
| C24 | C23 | N22 | H17 | 119.5° | 120.0° |
| C23 | C24 | O25 | H18 | 116.7° | 120.1° |
| C24 | C23 | C26 | C27 | 163.5° | 173.9° |
| C24 | C23 | C26 | H19 | 76.0° | 66.1° |
| C24 | C23 | C26 | H20 | 43.0° | 53.9° |
| C24 | C23 | N22 | H30 | 49.1° | 95.0° |
| C23 | C24 | O25 | H32 | 59.7° | 60.0° |
| C23 | C24 | S1 | O1 | 167.7° | 166.0° |
| C23 | C24 | S1 | O2 | 16.3° | 57.2° |
| C23 | C24 | S1 | O3 | 16.3° | 54.4° |
| C26 | C23 | N22 | H17 | 122.1° | 120.0° |
| C26 | C23 | C24 | O25 | 74.6° | 55.4° |
| C23 | C26 | C27 | H19 | 120.5° | 120.0° |
| C23 | C26 | C27 | H20 | 120.5° | 120.0° |
| C23 | C26 | C27 | C28 | 171.9° | 175.0° |
| C23 | C26 | C27 | C31 | 54.4° | 65.0° |
| C26 | C23 | C24 | H18 | 167.6° | 175.4° |
| C23 | C26 | H19 | H20 | 118.5° | 120.0° |
| C23 | C26 | C27 | H21 | 70.8° | 55.0° |
| C26 | C23 | N22 | H30 | 69.3° | 25.0° |
| N22 | C23 | C24 | O25 | 166.9° | 175.4° |
| N22 | C23 | C26 | C27 | 80.6° | 66.1° |
| N22 | C23 | C24 | H18 | 49.1° | 64.6° |
| N22 | C23 | C26 | H19 | 39.9° | 53.9° |
| N22 | C23 | C26 | H20 | 158.9° | 173.9° |
| O25 | C24 | C23 | H17 | 46.6° | 64.6° |
| O25 | C24 | S1 | O1 | 47.6° | 74.0° |
| O25 | C24 | S1 | O2 | 136.4° | 62.8° |
| O25 | C24 | S1 | O3 | 136.4° | 174.4° |
| C26 | C27 | C28 | C31 | 122.5° | 120.0° |
| C26 | C27 | C28 | H21 | 117.3° | 120.0° |
| C26 | C27 | C31 | H21 | 122.6° | 120.0° |
| C26 | C27 | C28 | N29 | 146.5° | 180.0° |
| C26 | C27 | C28 | O32 | 33.8° | 0.0° |
| C27 | C26 | C23 | H17 | 42.3° | 53.9° |
| C27 | C26 | H19 | H20 | 118.6° | 120.0° |
| C26 | C27 | C31 | H25 | 180.0° | 59.9° |
| C26 | C27 | C31 | H26 | 60.0° | 180.0° |
| C26 | C27 | C31 | H27 | 60.0° | 60.0° |
| C28 | C27 | C31 | H21 | 116.9° | 120.0° |
| C27 | C28 | N29 | O32 | 179.6° | 180.0° |
| C27 | C28 | N29 | C30 | 0.3° | 180.0° |
| C28 | C27 | C26 | H19 | 67.6° | 55.0° |
| C28 | C27 | C26 | H20 | 51.4° | 65.0° |
| C28 | C27 | C31 | H25 | 59.5° | 179.9° |
| C28 | C27 | C31 | H26 | 60.5° | 60.0° |
| C28 | C27 | C31 | H27 | 179.4° | 60.0° |
| C27 | C28 | N29 | H31 | 179.7° | 0.0° |
| C31 | C27 | C28 | N29 | 24.0° | 60.0° |
| C31 | C27 | C28 | O32 | 156.4° | 120.0° |
| C31 | C27 | C26 | H19 | 174.9° | 175.1° |
| C31 | C27 | C26 | H20 | 66.0° | 55.1° |
| C27 | C31 | H25 | H26 | 120.0° | 120.1° |
| C27 | C31 | H25 | H27 | 120.0° | 120.0° |
| C27 | C31 | H26 | H27 | 120.0° | 120.0° |
| C28 | N29 | C30 | H31 | 180.0° | 180.0° |
| N29 | C28 | C27 | H21 | 96.2° | 60.0° |
| C28 | N29 | C30 | H22 | 180.0° | 60.0° |
| C28 | N29 | C30 | H23 | 60.0° | 180.0° |
| C28 | N29 | C30 | H24 | 60.0° | 60.0° |
| O32 | C28 | N29 | C30 | 179.9° | 0.0° |
| O32 | C28 | C27 | H21 | 83.5° | 120.0° |
| O32 | C28 | N29 | H31 | 0.1° | 180.0° |
| N29 | C30 | H22 | H23 | 120.1° | 120.0° |
| N29 | C30 | H22 | H24 | 120.0° | 119.9° |
| N29 | C30 | H23 | H24 | 120.0° | 120.0° |
| H3 | C15 | H4 | H5 | 120.0° | 120.0° |
| H6 | C03 | C04 | H7 | 125.3° | 175.0° |
| H6 | C03 | C04 | H8 | 116.2° | 65.0° |
| H6 | C03 | N08 | H28 | 118.8° | 145.0° |
| H7 | C04 | C05 | H9 | 132.5° | 149.3° |
| H8 | C04 | C05 | H9 | 14.1° | 90.7° |
| H9 | C05 | C06 | H10 | 142.9° | 144.9° |
| H9 | C05 | C06 | H11 | 2.0° | 0.1° |
| H9 | C05 | C07 | H12 | 1.5° | 0.1° |
| H9 | C05 | C07 | H13 | 142.8° | 145.0° |
| H10 | C06 | C07 | H12 | 141.1° | 145.0° |
| H10 | C06 | C07 | H13 | 0.2° | 0.0° |
| H11 | C06 | C07 | H12 | 0.1° | 0.1° |
| H11 | C06 | C07 | H13 | 141.1° | 145.0° |
| H14 | C16 | C17 | H15 | 0.4° | 0.0° |
| H15 | C17 | C18 | H16 | 0.1° | 0.0° |
| H17 | C23 | C24 | H18 | 71.2° | 55.4° |
| H17 | C23 | C26 | H19 | 162.8° | 173.9° |
| H17 | C23 | C26 | H20 | 78.2° | 66.1° |
| H17 | C23 | N22 | H30 | 168.6° | 145.0° |
| H18 | C24 | O25 | H32 | 57.0° | 60.0° |
| H18 | C24 | S1 | O1 | 77.4° | 45.9° |
| H18 | C24 | S1 | O2 | 98.6° | 177.3° |
| H18 | C24 | S1 | O3 | 98.6° | 65.7° |
| H19 | C26 | C27 | H21 | 49.7° | 65.0° |
| H20 | C26 | C27 | H21 | 168.7° | 175.0° |
| H21 | C27 | C31 | H25 | 57.4° | 60.0° |
| H21 | C27 | C31 | H26 | 177.4° | 60.1° |
| H21 | C27 | C31 | H27 | 62.6° | NaN° |
| H22 | C30 | H23 | H24 | 119.9° | 120.0° |
| H22 | C30 | N29 | H31 | 0.0° | 120.0° |
| H23 | C30 | N29 | H31 | 120.0° | 0.0° |
| H24 | C30 | N29 | H31 | 120.0° | 120.0° |
| H25 | C31 | H26 | H27 | 120.0° | 119.9° |
| O1 | S1 | O2 | O3 | 90.0° | 116.8° |
| O1 | S1 | O3 | H1 | 90.0° | 64.0° |
| O2 | S1 | O3 | H1 | 90.0° | 63.9° |
