A1D60
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N05 | C04 | doub | 1.31Å | 1.38Å | Aromatic |
| N05 | N01 | sing | 1.28Å | 1.35Å | Aromatic |
| C04 | C03 | sing | 1.40Å | 1.40Å | Aromatic |
| N01 | C02 | sing | 1.37Å | 1.36Å | Aromatic |
| O12 | C11 | doub | 1.22Å | 1.22Å | |
| C03 | C02 | doub | 1.39Å | 1.43Å | Aromatic |
| C03 | N07 | sing | 1.40Å | 1.36Å | |
| C02 | C06 | sing | 1.47Å | 1.49Å | |
| C11 | N07 | sing | 1.35Å | 1.39Å | |
| C11 | C13 | sing | 1.48Å | 1.51Å | |
| F20 | C18 | sing | 1.35Å | 1.29Å | |
| C06 | N09 | sing | 1.35Å | 1.37Å | |
| C06 | O08 | doub | 1.22Å | 1.24Å | |
| N09 | C10 | sing | 1.47Å | 1.46Å | |
| C13 | C18 | doub | 1.40Å | 1.42Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.44Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.43Å | Aromatic |
| F19 | C14 | sing | 1.35Å | 1.29Å | |
| C14 | C15 | doub | 1.38Å | 1.43Å | Aromatic |
| C10 | C26 | sing | 1.53Å | 1.54Å | |
| C10 | C22 | sing | 1.53Å | 1.52Å | |
| C17 | C16 | doub | 1.38Å | 1.43Å | Aromatic |
| C26 | C25 | sing | 1.53Å | 1.51Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.38Å | 1.42Å | Aromatic |
| C15 | C21 | sing | 1.51Å | 1.61Å | |
| C23 | N24 | sing | 1.47Å | 1.56Å | |
| C25 | N24 | sing | 1.47Å | 1.50Å | |
| C21 | C31 | sing | 1.53Å | 1.56Å | |
| C21 | C27 | sing | 1.53Å | 1.56Å | |
| N24 | S32 | sing | 1.66Å | 1.68Å | |
| C31 | C30 | sing | 1.53Å | 1.54Å | |
| O33 | S32 | doub | 1.42Å | 1.43Å | |
| S32 | O36 | doub | 1.42Å | 1.42Å | |
| S32 | C34 | sing | 1.81Å | 1.82Å | |
| C27 | C28 | sing | 1.53Å | 1.56Å | |
| C30 | O29 | sing | 1.43Å | 1.41Å | |
| C28 | O29 | sing | 1.43Å | 1.40Å | |
| C34 | C35 | sing | 1.53Å | 1.54Å | |
| C16 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C25 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C27 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C30 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| C31 | H21 | sing | 1.09Å | 1.10Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| C34 | H23 | sing | 1.09Å | 1.10Å | |
| C35 | H24 | sing | 1.09Å | 1.10Å | |
| C35 | H25 | sing | 1.09Å | 1.10Å | |
| C35 | H26 | sing | 1.09Å | 1.10Å | |
| N01 | H27 | sing | 0.97Å | 1.00Å | |
| N07 | H28 | sing | 0.97Å | 1.00Å | |
| N09 | H29 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | N05 | N01 | 112.6° | 111.2° |
| N05 | C04 | C03 | 105.6° | 107.9° |
| N05 | C04 | H6 | 127.2° | 126.1° |
| N05 | N01 | C02 | 106.3° | 109.7° |
| N05 | N01 | H27 | 126.9° | 125.1° |
| C04 | C03 | C02 | 105.8° | 105.2° |
| C04 | C03 | N07 | 127.2° | 127.4° |
| C03 | C04 | H6 | 127.2° | 126.0° |
| N01 | C02 | C03 | 109.6° | 106.0° |
| N01 | C02 | C06 | 125.4° | 127.0° |
| C02 | N01 | H27 | 126.8° | 125.2° |
| O12 | C11 | N07 | 120.1° | 120.1° |
| O12 | C11 | C13 | 120.1° | 119.9° |
| C02 | C03 | N07 | 127.0° | 127.4° |
| C03 | C02 | C06 | 124.5° | 127.0° |
| C03 | N07 | C11 | 129.3° | 120.0° |
| C03 | N07 | H28 | 115.4° | 120.0° |
| C02 | C06 | N09 | 120.6° | 120.0° |
| C02 | C06 | O08 | 119.1° | 120.0° |
| N07 | C11 | C13 | 119.8° | 120.0° |
| C11 | N07 | H28 | 115.3° | 120.0° |
| C11 | C13 | C18 | 121.8° | 120.2° |
| C11 | C13 | C14 | 119.1° | 120.2° |
| F20 | C18 | C13 | 116.9° | 120.0° |
| F20 | C18 | C17 | 122.8° | 120.1° |
| N09 | C06 | O08 | 120.3° | 120.0° |
| C06 | N09 | C10 | 133.7° | 120.0° |
| C06 | N09 | H29 | 113.1° | 120.0° |
| N09 | C10 | C26 | 108.7° | 109.4° |
| N09 | C10 | C22 | 117.6° | 109.5° |
| N09 | C10 | H7 | 106.3° | 109.4° |
| C10 | N09 | H29 | 113.1° | 120.0° |
| C18 | C13 | C14 | 119.0° | 119.6° |
| C13 | C18 | C17 | 120.3° | 119.8° |
| C13 | C14 | F19 | 119.0° | 120.1° |
| C13 | C14 | C15 | 122.7° | 119.8° |
| C18 | C17 | C16 | 118.3° | 120.2° |
| C18 | C17 | H3 | 120.9° | 119.9° |
| F19 | C14 | C15 | 118.3° | 120.1° |
| C14 | C15 | C16 | 115.9° | 120.2° |
| C14 | C15 | C21 | 117.9° | 119.9° |
| C26 | C10 | C22 | 112.3° | 109.6° |
| C10 | C26 | C25 | 112.4° | 109.3° |
| C26 | C10 | H7 | 105.4° | 109.4° |
| C10 | C26 | H12 | 108.8° | 109.5° |
| C10 | C26 | H13 | 108.7° | 109.5° |
| C10 | C22 | C23 | 107.6° | 109.3° |
| C10 | C22 | H4 | 110.0° | 109.5° |
| C10 | C22 | H5 | 110.0° | 109.6° |
| C22 | C10 | H7 | 105.7° | 109.5° |
| C17 | C16 | C15 | 123.8° | 120.4° |
| C17 | C16 | H1 | 118.1° | 119.8° |
| C16 | C17 | H3 | 120.9° | 119.9° |
| C26 | C25 | N24 | 116.6° | 108.8° |
| C26 | C25 | H10 | 107.7° | 109.6° |
| C26 | C25 | H11 | 107.7° | 109.7° |
| C25 | C26 | H12 | 108.8° | 109.5° |
| C25 | C26 | H13 | 108.7° | 109.5° |
| C22 | C23 | N24 | 114.6° | 108.8° |
| C23 | C22 | H4 | 109.9° | 109.5° |
| C23 | C22 | H5 | 109.9° | 109.5° |
| C22 | C23 | H8 | 108.2° | 109.6° |
| C22 | C23 | H9 | 108.2° | 109.6° |
| C16 | C15 | C21 | 126.2° | 119.9° |
| C15 | C16 | H1 | 118.1° | 119.8° |
| C15 | C21 | C31 | 112.7° | 109.5° |
| C15 | C21 | C27 | 113.2° | 109.6° |
| C15 | C21 | H2 | 106.7° | 109.6° |
| C23 | N24 | C25 | 114.3° | 118.7° |
| C23 | N24 | S32 | 121.7° | 120.6° |
| N24 | C23 | H8 | 108.2° | 109.6° |
| N24 | C23 | H9 | 108.2° | 109.6° |
| C25 | N24 | S32 | 116.0° | 120.7° |
| N24 | C25 | H10 | 107.7° | 109.6° |
| N24 | C25 | H11 | 107.7° | 109.6° |
| C31 | C21 | C27 | 109.4° | 109.1° |
| C21 | C31 | C30 | 112.2° | 109.1° |
| C31 | C21 | H2 | 107.2° | 109.5° |
| C21 | C31 | H20 | 108.8° | 109.5° |
| C21 | C31 | H21 | 108.8° | 109.5° |
| C21 | C27 | C28 | 113.4° | 109.2° |
| C27 | C21 | H2 | 107.3° | 109.6° |
| C21 | C27 | H14 | 108.5° | 109.5° |
| C21 | C27 | H15 | 108.4° | 109.5° |
| N24 | S32 | O33 | 107.8° | 104.3° |
| N24 | S32 | O36 | 109.6° | 104.3° |
| N24 | S32 | C34 | 108.9° | 104.5° |
| C31 | C30 | O29 | 110.0° | 109.4° |
| C31 | C30 | H18 | 109.3° | 109.5° |
| C31 | C30 | H19 | 109.3° | 109.5° |
| C30 | C31 | H20 | 108.8° | 109.6° |
| C30 | C31 | H21 | 108.8° | 109.5° |
| O33 | S32 | O36 | 112.6° | 121.0° |
| O33 | S32 | C34 | 109.6° | 110.5° |
| O36 | S32 | C34 | 108.4° | 110.5° |
| S32 | C34 | C35 | 111.7° | 109.5° |
| S32 | C34 | H22 | 108.9° | 109.5° |
| S32 | C34 | H23 | 108.9° | 109.5° |
| C27 | C28 | O29 | 109.5° | 109.4° |
| C28 | C27 | H14 | 108.5° | 109.5° |
| C28 | C27 | H15 | 108.5° | 109.5° |
| C27 | C28 | H16 | 109.4° | 109.5° |
| C27 | C28 | H17 | 109.5° | 109.5° |
| C30 | O29 | C28 | 113.9° | 114.1° |
| O29 | C30 | H18 | 109.3° | 109.5° |
| O29 | C30 | H19 | 109.3° | 109.5° |
| O29 | C28 | H16 | 109.5° | 109.5° |
| O29 | C28 | H17 | 109.4° | 109.4° |
| C35 | C34 | H22 | 108.9° | 109.4° |
| C35 | C34 | H23 | 108.9° | 109.5° |
| C34 | C35 | H24 | 109.5° | 109.5° |
| C34 | C35 | H25 | 109.5° | 109.4° |
| C34 | C35 | H26 | 109.5° | 109.5° |
| H4 | C22 | H5 | 109.5° | 109.5° |
| H8 | C23 | H9 | 109.5° | 109.8° |
| H10 | C25 | H11 | 109.5° | 109.5° |
| H12 | C26 | H13 | 109.4° | 109.5° |
| H14 | C27 | H15 | 109.5° | 109.6° |
| H16 | C28 | H17 | 109.5° | 109.5° |
| H18 | C30 | H19 | 109.4° | 109.4° |
| H20 | C31 | H21 | 109.5° | 109.6° |
| H22 | C34 | H23 | 109.5° | 109.5° |
| H24 | C35 | H25 | 109.5° | 109.5° |
| H24 | C35 | H26 | 109.5° | 109.4° |
| H25 | C35 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N05 | C04 | C03 | H6 | 180.0° | 179.9° |
| C04 | N05 | N01 | C02 | 1.9° | 0.4° |
| N05 | C04 | C03 | C02 | 1.9° | 0.0° |
| N05 | C04 | C03 | N07 | 178.6° | 179.9° |
| C04 | N05 | N01 | H27 | 178.1° | 179.8° |
| N01 | N05 | C04 | C03 | 0.0° | 0.2° |
| N05 | N01 | C02 | H27 | 180.0° | 179.8° |
| N05 | N01 | C02 | C03 | 3.0° | 0.4° |
| N05 | N01 | C02 | C06 | 175.4° | 179.9° |
| N01 | N05 | C04 | H6 | 180.0° | 179.7° |
| C04 | C03 | C02 | N01 | 3.1° | 0.2° |
| C04 | C03 | C02 | N07 | 179.6° | 180.0° |
| C04 | C03 | C02 | C06 | 175.5° | 179.9° |
| C04 | C03 | N07 | C11 | 13.6° | 0.0° |
| C04 | C03 | N07 | H28 | 166.3° | 180.0° |
| N01 | C02 | C03 | C06 | 172.4° | 179.7° |
| N01 | C02 | C03 | N07 | 177.3° | 179.7° |
| N01 | C02 | C06 | N09 | 12.4° | 0.3° |
| N01 | C02 | C06 | O08 | 170.5° | 179.7° |
| O12 | C11 | N07 | C03 | 2.9° | 0.3° |
| O12 | C11 | N07 | C13 | 179.0° | 179.7° |
| O12 | C11 | C13 | C18 | 58.6° | 89.7° |
| O12 | C11 | C13 | C14 | 124.3° | 90.1° |
| O12 | C11 | N07 | H28 | 177.0° | 179.7° |
| C02 | C03 | N07 | C11 | 166.9° | 180.0° |
| C03 | C02 | C06 | N09 | 158.8° | 180.0° |
| C03 | C02 | C06 | O08 | 18.3° | 0.0° |
| C02 | C03 | C04 | H6 | 178.1° | 180.0° |
| C03 | C02 | N01 | H27 | 177.0° | 179.9° |
| C02 | C03 | N07 | H28 | 13.2° | 0.0° |
| N07 | C03 | C02 | C06 | 4.9° | 0.0° |
| C03 | N07 | C11 | H28 | 180.0° | 180.0° |
| C03 | N07 | C11 | C13 | 178.1° | 180.0° |
| N07 | C03 | C04 | H6 | 1.4° | 0.0° |
| C02 | C06 | N09 | O08 | 177.1° | 180.0° |
| C02 | C06 | N09 | C10 | 171.1° | 179.9° |
| C06 | C02 | N01 | H27 | 4.7° | 0.1° |
| C02 | C06 | N09 | H29 | 8.9° | 0.0° |
| N07 | C11 | C13 | C18 | 120.4° | 89.9° |
| N07 | C11 | C13 | C14 | 56.8° | 90.2° |
| C11 | C13 | C18 | F20 | 2.6° | 0.0° |
| C11 | C13 | C18 | C14 | 177.1° | 179.8° |
| C11 | C13 | C18 | C17 | 178.4° | 179.7° |
| C11 | C13 | C14 | F19 | 1.0° | 0.0° |
| C11 | C13 | C14 | C15 | 178.4° | 180.0° |
| C13 | C11 | N07 | H28 | 1.9° | 0.0° |
| F20 | C18 | C13 | C17 | 178.9° | 179.7° |
| F20 | C18 | C13 | C14 | 179.8° | 179.8° |
| F20 | C18 | C17 | C16 | 179.5° | 179.7° |
| F20 | C18 | C17 | H3 | 0.5° | 0.3° |
| C06 | N09 | C10 | H29 | 180.0° | 179.9° |
| C06 | N09 | C10 | C26 | 46.8° | 155.0° |
| C06 | N09 | C10 | C22 | 82.1° | 84.9° |
| C06 | N09 | C10 | H7 | 159.8° | 35.1° |
| O08 | C06 | N09 | C10 | 6.0° | 0.0° |
| O08 | C06 | N09 | H29 | 174.0° | 179.9° |
| N09 | C10 | C26 | C22 | 131.8° | 120.1° |
| N09 | C10 | C26 | H7 | 113.6° | 119.9° |
| N09 | C10 | C22 | H7 | 118.4° | 120.0° |
| N09 | C10 | C26 | C25 | 171.5° | 178.6° |
| N09 | C10 | C22 | C23 | 165.5° | 178.6° |
| N09 | C10 | C22 | H4 | 74.7° | 61.5° |
| N09 | C10 | C22 | H5 | 45.8° | 58.6° |
| N09 | C10 | C26 | H12 | 68.0° | 58.6° |
| N09 | C10 | C26 | H13 | 51.1° | 61.5° |
| C18 | C13 | C14 | F19 | 178.3° | 179.8° |
| C18 | C13 | C14 | C15 | 1.1° | 0.2° |
| C13 | C18 | C17 | C16 | 0.6° | 0.6° |
| C13 | C18 | C17 | H3 | 179.4° | 180.0° |
| C14 | C13 | C18 | C17 | 1.3° | 0.5° |
| C13 | C14 | F19 | C15 | 179.4° | 180.0° |
| C13 | C14 | C15 | C16 | 0.3° | 0.1° |
| C13 | C14 | C15 | C21 | 179.4° | 180.0° |
| C18 | C17 | C16 | H3 | 180.0° | 179.4° |
| C18 | C17 | C16 | C15 | 0.3° | 0.3° |
| C18 | C17 | C16 | H1 | 179.6° | 179.7° |
| F19 | C14 | C15 | C16 | 179.2° | 179.9° |
| F19 | C14 | C15 | C21 | 1.2° | 0.0° |
| C14 | C15 | C16 | C17 | 0.5° | 0.0° |
| C14 | C15 | C16 | C21 | 179.6° | 179.9° |
| C14 | C15 | C21 | C31 | 133.1° | 120.0° |
| C14 | C15 | C21 | C27 | 102.1° | 120.4° |
| C14 | C15 | C16 | H1 | 179.5° | 180.0° |
| C14 | C15 | C21 | H2 | 15.7° | 0.1° |
| C26 | C10 | C22 | H7 | 114.4° | 120.0° |
| C10 | C26 | C25 | H12 | 120.5° | 120.0° |
| C10 | C26 | C25 | H13 | 120.4° | 120.0° |
| C26 | C10 | C22 | C23 | 67.2° | 61.4° |
| C10 | C26 | C25 | N24 | 17.6° | 54.6° |
| C26 | C10 | C22 | H4 | 52.5° | 58.6° |
| C26 | C10 | C22 | H5 | 173.1° | 178.6° |
| C10 | C26 | C25 | H10 | 138.6° | 65.2° |
| C10 | C26 | C25 | H11 | 103.4° | 174.5° |
| C10 | C26 | H12 | H13 | 118.7° | 120.1° |
| C26 | C10 | N09 | H29 | 133.2° | 25.1° |
| C22 | C10 | C26 | C25 | 39.7° | 61.4° |
| C10 | C22 | C23 | H4 | 119.7° | 119.9° |
| C10 | C22 | C23 | H5 | 119.7° | 120.0° |
| C10 | C22 | C23 | N24 | 37.0° | 54.6° |
| C10 | C22 | H4 | H5 | 120.9° | 120.1° |
| C10 | C22 | C23 | H8 | 157.7° | 174.4° |
| C10 | C22 | C23 | H9 | 83.8° | 65.1° |
| C22 | C10 | C26 | H12 | 160.1° | 178.7° |
| C22 | C10 | C26 | H13 | 80.8° | 58.6° |
| C22 | C10 | N09 | H29 | 97.9° | 95.0° |
| C17 | C16 | C15 | H1 | 180.0° | 180.0° |
| C17 | C16 | C15 | C21 | 179.9° | 179.9° |
| C26 | C25 | N24 | C23 | 46.1° | 53.6° |
| C26 | C25 | N24 | H10 | 121.0° | 119.8° |
| C26 | C25 | N24 | H11 | 121.0° | 120.0° |
| C26 | C25 | N24 | S32 | 164.3° | 126.4° |
| C25 | C26 | C10 | H7 | 74.9° | 58.7° |
| C26 | C25 | H10 | H11 | 116.8° | 120.4° |
| C25 | C26 | H12 | H13 | 118.7° | 120.1° |
| C22 | C23 | N24 | H8 | 120.7° | 119.8° |
| C22 | C23 | N24 | H9 | 120.7° | 119.8° |
| C22 | C23 | N24 | C25 | 16.6° | 53.6° |
| C22 | C23 | N24 | S32 | 164.3° | 126.4° |
| C23 | C22 | H4 | H5 | 120.8° | 120.1° |
| C23 | C22 | C10 | H7 | 47.2° | 58.6° |
| C22 | C23 | H8 | H9 | 117.7° | 120.4° |
| C16 | C15 | C21 | C31 | 46.6° | 60.1° |
| C16 | C15 | C21 | C27 | 78.3° | 59.5° |
| C16 | C15 | C21 | H2 | 163.9° | 179.8° |
| C15 | C16 | C17 | H3 | 179.7° | 179.7° |
| C15 | C21 | C31 | C27 | 126.9° | 119.9° |
| C15 | C21 | C31 | H2 | 117.1° | 120.2° |
| C15 | C21 | C27 | H2 | 117.5° | 120.3° |
| C15 | C21 | C31 | C30 | 172.0° | 176.8° |
| C15 | C21 | C27 | C28 | 170.7° | 176.8° |
| C21 | C15 | C16 | H1 | 0.2° | 0.1° |
| C15 | C21 | C27 | H14 | 50.0° | 56.9° |
| C15 | C21 | C27 | H15 | 68.7° | 63.3° |
| C15 | C21 | C31 | H20 | 67.6° | 63.2° |
| C15 | C21 | C31 | H21 | 51.6° | 57.0° |
| C23 | N24 | C25 | S32 | 149.6° | 180.0° |
| C23 | N24 | S32 | O33 | 153.5° | 26.1° |
| C23 | N24 | S32 | O36 | 30.6° | 153.9° |
| C23 | N24 | S32 | C34 | 87.7° | 90.0° |
| N24 | C23 | C22 | H4 | 82.8° | 65.3° |
| N24 | C23 | C22 | H5 | 156.7° | 174.7° |
| N24 | C23 | H8 | H9 | 117.7° | 120.3° |
| C23 | N24 | C25 | H10 | 167.1° | 66.2° |
| C23 | N24 | C25 | H11 | 74.9° | 173.6° |
| C25 | N24 | S32 | O33 | 59.3° | 153.9° |
| C25 | N24 | S32 | O36 | 177.8° | 26.1° |
| C25 | N24 | S32 | C34 | 59.5° | 90.0° |
| C25 | N24 | C23 | H8 | 104.1° | 173.4° |
| C25 | N24 | C23 | H9 | 137.4° | 66.2° |
| N24 | C25 | H10 | H11 | 116.8° | 120.2° |
| N24 | C25 | C26 | H12 | 102.9° | 174.6° |
| N24 | C25 | C26 | H13 | 138.0° | 65.3° |
| C31 | C21 | C27 | H2 | 115.9° | 119.9° |
| C21 | C31 | C30 | H20 | 120.4° | 119.9° |
| C21 | C31 | C30 | H21 | 120.4° | 119.8° |
| C31 | C21 | C27 | C28 | 44.0° | 57.0° |
| C21 | C31 | C30 | O29 | 54.9° | 57.6° |
| C31 | C21 | C27 | H14 | 76.6° | 62.9° |
| C31 | C21 | C27 | H15 | 164.6° | 176.9° |
| C21 | C31 | C30 | H18 | 65.2° | 62.4° |
| C21 | C31 | C30 | H19 | 175.0° | 177.6° |
| C21 | C31 | H20 | H21 | 118.8° | 120.1° |
| C27 | C21 | C31 | C30 | 45.1° | 56.9° |
| C21 | C27 | C28 | H14 | 120.6° | 119.9° |
| C21 | C27 | C28 | H15 | 120.6° | 119.9° |
| C21 | C27 | C28 | O29 | 52.2° | 57.6° |
| C21 | C27 | H14 | H15 | 118.1° | 120.1° |
| C21 | C27 | C28 | H16 | 172.2° | 177.6° |
| C21 | C27 | C28 | H17 | 67.8° | 62.4° |
| C27 | C21 | C31 | H20 | 165.5° | 176.9° |
| C27 | C21 | C31 | H21 | 75.3° | 62.9° |
| N24 | S32 | O33 | O36 | 121.0° | 116.8° |
| N24 | S32 | O33 | C34 | 118.3° | 111.8° |
| N24 | S32 | O36 | C34 | 118.6° | 111.8° |
| N24 | S32 | C34 | C35 | 171.7° | 180.0° |
| S32 | N24 | C23 | H8 | 43.6° | 6.7° |
| S32 | N24 | C23 | H9 | 74.9° | 113.8° |
| S32 | N24 | C25 | H10 | 43.3° | 113.8° |
| S32 | N24 | C25 | H11 | 74.7° | 6.5° |
| N24 | S32 | C34 | H22 | 68.0° | 60.0° |
| N24 | S32 | C34 | H23 | 51.3° | 60.0° |
| C31 | C30 | O29 | H18 | 120.1° | 120.0° |
| C31 | C30 | O29 | H19 | 120.1° | 120.0° |
| C31 | C30 | O29 | C28 | 65.6° | 61.2° |
| C30 | C31 | C21 | H2 | 70.9° | 63.0° |
| C31 | C30 | H18 | H19 | 119.7° | 120.0° |
| C30 | C31 | H20 | H21 | 118.8° | 120.2° |
| O33 | S32 | O36 | C34 | 121.4° | 131.5° |
| O33 | S32 | C34 | C35 | 70.6° | 68.4° |
| O33 | S32 | C34 | H22 | 49.7° | 171.6° |
| O33 | S32 | C34 | H23 | 169.0° | 51.6° |
| O36 | S32 | C34 | C35 | 52.6° | 68.4° |
| O36 | S32 | C34 | H22 | 172.9° | 51.7° |
| O36 | S32 | C34 | H23 | 67.7° | 171.6° |
| S32 | C34 | C35 | H22 | 120.3° | 120.0° |
| S32 | C34 | C35 | H23 | 120.3° | 120.0° |
| S32 | C34 | H22 | H23 | 119.0° | 120.0° |
| S32 | C34 | C35 | H24 | 180.0° | 180.0° |
| S32 | C34 | C35 | H25 | 60.0° | 60.0° |
| S32 | C34 | C35 | H26 | 60.0° | 60.0° |
| C27 | C28 | O29 | C30 | 63.5° | 61.2° |
| C27 | C28 | O29 | H16 | 120.0° | 120.0° |
| C27 | C28 | O29 | H17 | 120.0° | 120.0° |
| C28 | C27 | C21 | H2 | 71.9° | 62.9° |
| C28 | C27 | H14 | H15 | 118.2° | 120.2° |
| C27 | C28 | H16 | H17 | 120.0° | 120.1° |
| C30 | O29 | C28 | H16 | 176.5° | 178.8° |
| C30 | O29 | C28 | H17 | 56.6° | 58.8° |
| O29 | C30 | H18 | H19 | 119.7° | 120.0° |
| O29 | C30 | C31 | H20 | 175.2° | 177.5° |
| O29 | C30 | C31 | H21 | 65.5° | 62.2° |
| O29 | C28 | C27 | H14 | 68.4° | 62.3° |
| O29 | C28 | C27 | H15 | 172.8° | 177.5° |
| O29 | C28 | H16 | H17 | 120.0° | 120.0° |
| C28 | O29 | C30 | H18 | 54.5° | 58.8° |
| C28 | O29 | C30 | H19 | 174.3° | 178.8° |
| C35 | C34 | H22 | H23 | 119.0° | 120.0° |
| C34 | C35 | H24 | H25 | 120.0° | 120.0° |
| C34 | C35 | H24 | H26 | 120.0° | 120.0° |
| C34 | C35 | H25 | H26 | 120.0° | 120.0° |
| H1 | C16 | C17 | H3 | 0.4° | 0.3° |
| H2 | C21 | C27 | H14 | 167.5° | 177.2° |
| H2 | C21 | C27 | H15 | 48.7° | 57.0° |
| H2 | C21 | C31 | H20 | 49.5° | 56.9° |
| H2 | C21 | C31 | H21 | 168.7° | 177.1° |
| H4 | C22 | C10 | H7 | 166.9° | 178.6° |
| H4 | C22 | C23 | H8 | 38.0° | 54.4° |
| H4 | C22 | C23 | H9 | 156.5° | 174.9° |
| H5 | C22 | C10 | H7 | 72.5° | 61.4° |
| H5 | C22 | C23 | H8 | 82.6° | 65.6° |
| H5 | C22 | C23 | H9 | 36.0° | 54.9° |
| H7 | C10 | C26 | H12 | 45.6° | 61.3° |
| H7 | C10 | C26 | H13 | 164.7° | 178.6° |
| H7 | C10 | N09 | H29 | 20.2° | 145.0° |
| H10 | C25 | C26 | H12 | 18.2° | 54.8° |
| H10 | C25 | C26 | H13 | 100.9° | 174.9° |
| H11 | C25 | C26 | H12 | 136.1° | 65.5° |
| H11 | C25 | C26 | H13 | 17.0° | 54.5° |
| H14 | C27 | C28 | H16 | 51.6° | 57.7° |
| H14 | C27 | C28 | H17 | 171.6° | 177.7° |
| H15 | C27 | C28 | H16 | 67.2° | 62.5° |
| H15 | C27 | C28 | H17 | 52.8° | 57.5° |
| H18 | C30 | C31 | H20 | 55.2° | 57.5° |
| H18 | C30 | C31 | H21 | 174.4° | 177.8° |
| H19 | C30 | C31 | H20 | 64.6° | 62.5° |
| H19 | C30 | C31 | H21 | 54.6° | 57.8° |
| H22 | C34 | C35 | H24 | 59.7° | 60.0° |
| H22 | C34 | C35 | H25 | 179.7° | 60.0° |
| H22 | C34 | C35 | H26 | 60.3° | 180.0° |
| H23 | C34 | C35 | H24 | 59.6° | 60.0° |
| H23 | C34 | C35 | H25 | 60.4° | 180.0° |
| H23 | C34 | C35 | H26 | 179.7° | 60.0° |
| H24 | C35 | H25 | H26 | 120.0° | 120.0° |
