X1Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F01 | C02 | sing | 1.40Å | 1.36Å | |
| F03 | C02 | sing | 1.40Å | 1.35Å | |
| C02 | C43 | sing | 1.53Å | 1.52Å | |
| C02 | C04 | sing | 1.53Å | 1.53Å | |
| C43 | C42 | sing | 1.53Å | 1.51Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C42 | C06 | sing | 1.53Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C06 | C07 | sing | 1.51Å | 1.53Å | |
| O41 | C07 | doub | 1.21Å | 1.20Å | |
| C07 | N08 | sing | 1.35Å | 1.45Å | |
| C15 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C09 | sing | 1.53Å | 1.52Å | |
| N08 | C09 | sing | 1.46Å | 1.44Å | |
| C09 | C16 | sing | 1.51Å | 1.53Å | |
| C16 | O40 | doub | 1.21Å | 1.20Å | |
| C16 | N17 | sing | 1.35Å | 1.45Å | |
| O26 | C25 | sing | 1.43Å | 1.41Å | |
| N17 | C18 | sing | 1.47Å | 1.46Å | |
| N28 | C29 | sing | 1.46Å | 1.45Å | |
| N28 | C27 | sing | 1.35Å | 1.45Å | |
| C25 | C24 | sing | 1.53Å | 1.48Å | |
| C25 | C27 | sing | 1.51Å | 1.55Å | |
| C29 | C30 | sing | 1.51Å | 1.51Å | |
| C36 | C24 | sing | 1.54Å | 1.51Å | |
| C36 | C37 | sing | 1.54Å | 1.51Å | |
| N23 | C24 | sing | 1.47Å | 1.46Å | |
| N23 | C22 | sing | 1.35Å | 1.45Å | |
| C24 | C38 | sing | 1.54Å | 1.51Å | |
| C27 | O35 | doub | 1.21Å | 1.18Å | |
| C30 | N31 | doub | 1.29Å | 1.37Å | Aromatic |
| C30 | S34 | sing | 1.71Å | 1.63Å | Aromatic |
| N31 | C32 | sing | 1.32Å | 1.47Å | Aromatic |
| C18 | C22 | sing | 1.51Å | 1.51Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| S34 | C33 | sing | 1.76Å | 1.62Å | Aromatic |
| C22 | O39 | doub | 1.21Å | 1.19Å | |
| C37 | C38 | sing | 1.54Å | 1.51Å | |
| O20 | C19 | sing | 1.43Å | 1.40Å | |
| O20 | C21 | sing | 1.43Å | 1.41Å | |
| C32 | C33 | doub | 1.34Å | 1.40Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.08Å | 1.08Å | |
| C33 | H28 | sing | 1.08Å | 1.08Å | |
| C36 | H29 | sing | 1.09Å | 1.10Å | |
| C36 | H30 | sing | 1.09Å | 1.10Å | |
| C37 | H31 | sing | 1.09Å | 1.10Å | |
| C37 | H32 | sing | 1.09Å | 1.10Å | |
| C38 | H33 | sing | 1.09Å | 1.10Å | |
| C38 | H34 | sing | 1.09Å | 1.10Å | |
| C42 | H35 | sing | 1.09Å | 1.10Å | |
| C42 | H36 | sing | 1.09Å | 1.10Å | |
| C43 | H37 | sing | 1.09Å | 1.10Å | |
| C43 | H38 | sing | 1.09Å | 1.10Å | |
| N08 | H39 | sing | 0.97Å | 1.00Å | |
| N17 | H40 | sing | 0.97Å | 1.00Å | |
| N23 | H41 | sing | 0.97Å | 1.00Å | |
| N28 | H42 | sing | 0.97Å | 1.00Å | |
| O26 | H43 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F01 | C02 | F03 | 107.4° | 109.5° |
| F01 | C02 | C43 | 106.1° | 109.4° |
| F01 | C02 | C04 | 109.4° | 109.5° |
| F03 | C02 | C43 | 109.5° | 109.5° |
| F03 | C02 | C04 | 109.7° | 109.5° |
| C43 | C02 | C04 | 114.5° | 109.5° |
| C02 | C43 | C42 | 111.2° | 109.5° |
| C02 | C43 | H37 | 109.1° | 109.5° |
| C02 | C43 | H38 | 109.0° | 109.5° |
| C02 | C04 | C05 | 113.8° | 109.5° |
| C02 | C04 | H9 | 108.4° | 109.5° |
| C02 | C04 | H10 | 108.4° | 109.5° |
| C43 | C42 | C06 | 112.4° | 109.5° |
| C43 | C42 | H35 | 108.7° | 109.5° |
| C43 | C42 | H36 | 108.7° | 109.5° |
| C42 | C43 | H37 | 109.1° | 109.5° |
| C42 | C43 | H38 | 109.1° | 109.5° |
| C12 | C13 | C14 | 112.6° | 109.5° |
| C13 | C12 | C11 | 112.4° | 109.5° |
| C12 | C13 | H2 | 108.7° | 109.5° |
| C12 | C13 | H3 | 108.7° | 109.5° |
| C13 | C12 | H17 | 108.8° | 109.5° |
| C13 | C12 | H18 | 108.8° | 109.5° |
| C13 | C14 | C15 | 112.6° | 109.4° |
| C14 | C13 | H2 | 108.7° | 109.5° |
| C14 | C13 | H3 | 108.6° | 109.5° |
| C13 | C14 | H19 | 108.7° | 109.5° |
| C13 | C14 | H20 | 108.7° | 109.5° |
| C12 | C11 | C10 | 112.2° | 109.5° |
| C12 | C11 | H15 | 108.8° | 109.5° |
| C12 | C11 | H16 | 108.8° | 109.5° |
| C11 | C12 | H17 | 108.7° | 109.5° |
| C11 | C12 | H18 | 108.8° | 109.5° |
| C42 | C06 | C05 | 112.7° | 109.5° |
| C42 | C06 | C07 | 105.1° | 109.5° |
| C42 | C06 | H13 | 109.2° | 109.5° |
| C06 | C42 | H35 | 108.8° | 109.5° |
| C06 | C42 | H36 | 108.7° | 109.4° |
| C04 | C05 | C06 | 109.7° | 109.4° |
| C05 | C04 | H9 | 108.3° | 109.5° |
| C05 | C04 | H10 | 108.4° | 109.5° |
| C04 | C05 | H11 | 109.4° | 109.5° |
| C04 | C05 | H12 | 109.4° | 109.4° |
| C11 | C10 | C15 | 112.9° | 109.5° |
| C11 | C10 | C09 | 109.0° | 109.4° |
| C11 | C10 | H1 | 107.6° | 109.4° |
| C10 | C11 | H15 | 108.8° | 109.5° |
| C10 | C11 | H16 | 108.8° | 109.5° |
| C14 | C15 | C10 | 110.7° | 109.5° |
| C14 | C15 | H4 | 109.2° | 109.5° |
| C14 | C15 | H5 | 109.2° | 109.5° |
| C15 | C14 | H19 | 108.6° | 109.4° |
| C15 | C14 | H20 | 108.7° | 109.5° |
| C05 | C06 | C07 | 111.2° | 109.4° |
| C06 | C05 | H11 | 109.4° | 109.5° |
| C06 | C05 | H12 | 109.4° | 109.5° |
| C05 | C06 | H13 | 109.3° | 109.5° |
| C06 | C07 | O41 | 122.8° | 120.0° |
| C06 | C07 | N08 | 115.3° | 120.0° |
| C07 | C06 | H13 | 109.2° | 109.5° |
| O41 | C07 | N08 | 121.8° | 119.9° |
| C07 | N08 | C09 | 125.4° | 120.0° |
| C07 | N08 | H39 | 117.3° | 120.0° |
| C15 | C10 | C09 | 111.5° | 109.5° |
| C15 | C10 | H1 | 107.7° | 109.5° |
| C10 | C15 | H4 | 109.2° | 109.5° |
| C10 | C15 | H5 | 109.1° | 109.5° |
| C10 | C09 | N08 | 108.6° | 109.5° |
| C10 | C09 | C16 | 113.3° | 109.5° |
| C09 | C10 | H1 | 107.8° | 109.5° |
| C10 | C09 | H14 | 109.0° | 109.5° |
| N08 | C09 | C16 | 107.0° | 109.5° |
| N08 | C09 | H14 | 110.0° | 109.5° |
| C09 | N08 | H39 | 117.3° | 120.0° |
| C09 | C16 | O40 | 121.8° | 120.0° |
| C09 | C16 | N17 | 118.9° | 120.0° |
| C16 | C09 | H14 | 108.9° | 109.4° |
| O40 | C16 | N17 | 119.3° | 120.0° |
| C16 | N17 | C18 | 119.6° | 120.0° |
| C16 | N17 | H40 | 120.2° | 120.0° |
| O26 | C25 | C24 | 106.9° | 109.5° |
| O26 | C25 | C27 | 102.9° | 109.5° |
| O26 | C25 | H24 | 111.1° | 109.5° |
| C25 | O26 | H43 | 109.5° | 114.0° |
| N17 | C18 | C22 | 115.7° | 109.4° |
| N17 | C18 | C19 | 108.4° | 109.5° |
| N17 | C18 | H21 | 108.2° | 109.5° |
| C18 | N17 | H40 | 120.2° | 120.0° |
| C29 | N28 | C27 | 121.9° | 120.0° |
| N28 | C29 | C30 | 122.2° | 109.5° |
| N28 | C29 | H25 | 106.2° | 109.5° |
| N28 | C29 | H26 | 106.2° | 109.4° |
| C29 | N28 | H42 | 119.1° | 120.0° |
| N28 | C27 | C25 | 115.6° | 120.0° |
| N28 | C27 | O35 | 121.3° | 120.0° |
| C27 | N28 | H42 | 119.0° | 120.0° |
| C24 | C25 | C27 | 116.5° | 109.5° |
| C25 | C24 | C36 | 113.0° | 113.6° |
| C25 | C24 | N23 | 109.9° | 112.8° |
| C25 | C24 | C38 | 115.9° | 113.6° |
| C24 | C25 | H24 | 110.1° | 109.5° |
| C25 | C27 | O35 | 123.1° | 120.0° |
| C27 | C25 | H24 | 109.2° | 109.4° |
| C29 | C30 | N31 | 117.7° | 124.9° |
| C29 | C30 | S34 | 129.8° | 124.9° |
| C30 | C29 | H25 | 106.2° | 109.5° |
| C30 | C29 | H26 | 106.2° | 109.5° |
| C24 | C36 | C37 | 89.3° | 87.1° |
| C36 | C24 | N23 | 111.1° | 113.7° |
| C36 | C24 | C38 | 87.9° | 87.1° |
| C24 | C36 | H29 | 114.3° | 113.6° |
| C24 | C36 | H30 | 114.2° | 113.6° |
| C36 | C37 | C38 | 87.8° | 87.1° |
| C37 | C36 | H29 | 114.2° | 113.6° |
| C37 | C36 | H30 | 114.3° | 113.6° |
| C36 | C37 | H31 | 114.6° | 113.6° |
| C36 | C37 | H32 | 114.6° | 113.6° |
| C24 | N23 | C22 | 125.4° | 120.0° |
| N23 | C24 | C38 | 117.3° | 113.6° |
| C24 | N23 | H41 | 117.3° | 120.0° |
| N23 | C22 | C18 | 116.7° | 119.9° |
| N23 | C22 | O39 | 125.0° | 120.0° |
| C22 | N23 | H41 | 117.3° | 120.0° |
| C24 | C38 | C37 | 89.1° | 87.1° |
| C24 | C38 | H33 | 114.3° | 113.6° |
| C24 | C38 | H34 | 114.3° | 113.6° |
| N31 | C30 | S34 | 112.5° | 110.2° |
| C30 | N31 | C32 | 109.8° | 117.1° |
| C30 | S34 | C33 | 96.3° | 90.3° |
| N31 | C32 | C33 | 110.3° | 114.5° |
| N31 | C32 | H27 | 124.8° | 122.8° |
| C22 | C18 | C19 | 109.3° | 109.5° |
| C18 | C22 | O39 | 118.3° | 120.0° |
| C22 | C18 | H21 | 107.5° | 109.5° |
| C18 | C19 | O20 | 106.9° | 109.5° |
| C19 | C18 | H21 | 107.4° | 109.5° |
| C18 | C19 | H22 | 110.1° | 109.5° |
| C18 | C19 | H23 | 110.1° | 109.5° |
| S34 | C33 | C32 | 111.0° | 107.9° |
| S34 | C33 | H28 | 124.5° | 126.0° |
| C38 | C37 | H31 | 114.6° | 113.6° |
| C38 | C37 | H32 | 114.6° | 113.6° |
| C37 | C38 | H33 | 114.3° | 113.6° |
| C37 | C38 | H34 | 114.3° | 113.6° |
| C19 | O20 | C21 | 113.7° | 114.0° |
| O20 | C19 | H22 | 110.1° | 109.4° |
| O20 | C19 | H23 | 110.1° | 109.5° |
| O20 | C21 | H6 | 109.5° | 109.5° |
| O20 | C21 | H7 | 109.5° | 109.5° |
| O20 | C21 | H8 | 109.4° | 109.5° |
| C33 | C32 | H27 | 124.8° | 122.7° |
| C32 | C33 | H28 | 124.5° | 126.1° |
| H2 | C13 | H3 | 109.5° | 109.5° |
| H4 | C15 | H5 | 109.5° | 109.5° |
| H6 | C21 | H7 | 109.5° | 109.5° |
| H6 | C21 | H8 | 109.5° | 109.4° |
| H7 | C21 | H8 | 109.5° | 109.5° |
| H9 | C04 | H10 | 109.5° | 109.5° |
| H11 | C05 | H12 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.5° | 109.4° |
| H17 | C12 | H18 | 109.5° | 109.5° |
| H19 | C14 | H20 | 109.5° | 109.5° |
| H22 | C19 | H23 | 109.5° | 109.5° |
| H25 | C29 | H26 | 109.5° | 109.4° |
| H29 | C36 | H30 | 109.5° | 112.9° |
| H31 | C37 | H32 | 109.4° | 112.9° |
| H33 | C38 | H34 | 109.5° | 112.9° |
| H35 | C42 | H36 | 109.5° | 109.5° |
| H37 | C43 | H38 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F01 | C02 | F03 | C43 | 114.8° | 120.0° |
| F01 | C02 | F03 | C04 | 118.8° | 120.0° |
| F01 | C02 | C43 | C04 | 120.7° | 120.0° |
| F01 | C02 | C43 | C42 | 72.4° | 60.0° |
| F01 | C02 | C04 | C05 | 69.5° | 59.9° |
| F01 | C02 | C04 | H9 | 51.1° | 60.0° |
| F01 | C02 | C04 | H10 | 169.8° | 180.0° |
| F01 | C02 | C43 | H37 | 167.4° | 180.0° |
| F01 | C02 | C43 | H38 | 47.9° | 60.0° |
| F03 | C02 | C43 | C04 | 123.7° | 120.0° |
| F03 | C02 | C43 | C42 | 172.0° | 180.0° |
| F03 | C02 | C04 | C05 | 172.9° | 180.0° |
| F03 | C02 | C04 | H9 | 66.5° | 60.0° |
| F03 | C02 | C04 | H10 | 52.2° | 60.0° |
| F03 | C02 | C43 | H37 | 51.7° | 60.0° |
| F03 | C02 | C43 | H38 | 67.7° | 60.0° |
| C02 | C43 | C42 | H37 | 120.3° | 120.0° |
| C02 | C43 | C42 | H38 | 120.2° | 120.1° |
| C02 | C43 | C42 | C06 | 51.6° | 60.0° |
| C43 | C02 | C04 | C05 | 49.3° | 60.0° |
| C43 | C02 | C04 | H9 | 170.0° | 180.0° |
| C43 | C02 | C04 | H10 | 71.3° | 60.0° |
| C02 | C43 | C42 | H35 | 172.0° | 60.0° |
| C02 | C43 | C42 | H36 | 68.8° | 179.9° |
| C02 | C43 | H37 | H38 | 119.2° | 120.0° |
| C04 | C02 | C43 | C42 | 48.3° | 60.0° |
| C02 | C04 | C05 | H9 | 120.6° | 120.0° |
| C02 | C04 | C05 | H10 | 120.7° | 120.0° |
| C02 | C04 | C05 | C06 | 51.1° | 60.0° |
| C02 | C04 | H9 | H10 | 118.0° | 120.0° |
| C02 | C04 | C05 | H11 | 69.0° | 60.0° |
| C02 | C04 | C05 | H12 | 171.1° | 180.0° |
| C04 | C02 | C43 | H37 | 71.9° | 60.0° |
| C04 | C02 | C43 | H38 | 168.6° | 180.0° |
| C43 | C42 | C06 | H35 | 120.4° | 120.0° |
| C43 | C42 | C06 | H36 | 120.4° | 120.0° |
| C43 | C42 | C06 | C05 | 56.6° | 60.0° |
| C43 | C42 | C06 | C07 | 177.8° | 180.0° |
| C43 | C42 | C06 | H13 | 65.1° | 60.0° |
| C43 | C42 | H35 | H36 | 118.7° | 120.0° |
| C42 | C43 | H37 | H38 | 119.2° | 120.0° |
| C12 | C13 | C14 | H2 | 120.5° | 120.0° |
| C12 | C13 | C14 | H3 | 120.5° | 120.0° |
| C13 | C12 | C11 | H17 | 120.4° | 120.0° |
| C13 | C12 | C11 | H18 | 120.4° | 120.0° |
| C13 | C12 | C11 | C10 | 50.5° | 60.0° |
| C12 | C13 | C14 | C15 | 53.2° | 60.0° |
| C12 | C13 | H2 | H3 | 118.6° | 120.0° |
| C13 | C12 | C11 | H15 | 170.9° | 60.0° |
| C13 | C12 | C11 | H16 | 69.9° | 179.9° |
| C13 | C12 | H17 | H18 | 118.7° | 120.0° |
| C12 | C13 | C14 | H19 | 173.6° | 180.0° |
| C12 | C13 | C14 | H20 | 67.3° | 60.0° |
| C14 | C13 | C12 | C11 | 51.0° | 60.0° |
| C13 | C14 | C15 | H19 | 120.5° | 120.0° |
| C13 | C14 | C15 | H20 | 120.5° | 120.0° |
| C13 | C14 | C15 | C10 | 53.9° | 60.0° |
| C14 | C13 | H2 | H3 | 118.5° | 120.0° |
| C13 | C14 | C15 | H4 | 66.2° | 180.0° |
| C13 | C14 | C15 | H5 | 174.1° | 60.0° |
| C14 | C13 | C12 | H17 | 69.4° | 60.0° |
| C14 | C13 | C12 | H18 | 171.5° | 180.0° |
| C13 | C14 | H19 | H20 | 118.5° | 120.0° |
| C12 | C11 | C10 | H15 | 120.4° | 120.0° |
| C12 | C11 | C10 | H16 | 120.4° | 120.0° |
| C12 | C11 | C10 | C15 | 52.6° | 60.0° |
| C12 | C11 | C10 | C09 | 177.1° | 180.0° |
| C12 | C11 | C10 | H1 | 66.2° | 60.0° |
| C11 | C12 | C13 | H2 | 69.4° | 60.0° |
| C11 | C12 | C13 | H3 | 171.5° | 180.0° |
| C12 | C11 | H15 | H16 | 118.8° | 120.0° |
| C11 | C12 | H17 | H18 | 118.7° | 120.0° |
| C42 | C06 | C05 | C04 | 54.8° | 60.0° |
| C42 | C06 | C05 | C07 | 117.7° | 120.0° |
| C42 | C06 | C05 | H13 | 121.7° | 120.0° |
| C42 | C06 | C07 | H13 | 117.1° | 120.1° |
| C42 | C06 | C07 | O41 | 93.4° | 120.0° |
| C42 | C06 | C07 | N08 | 84.2° | 60.0° |
| C42 | C06 | C05 | H11 | 65.2° | 60.0° |
| C42 | C06 | C05 | H12 | 174.9° | 180.0° |
| C06 | C42 | H35 | H36 | 118.7° | 120.0° |
| C06 | C42 | C43 | H37 | 68.7° | 60.0° |
| C06 | C42 | C43 | H38 | 171.8° | 180.0° |
| C04 | C05 | C06 | H11 | 120.1° | 120.0° |
| C04 | C05 | C06 | H12 | 120.0° | 119.9° |
| C04 | C05 | C06 | C07 | 172.5° | 180.0° |
| C05 | C04 | H9 | H10 | 118.0° | 120.0° |
| C04 | C05 | H11 | H12 | 119.9° | 120.0° |
| C04 | C05 | C06 | H13 | 66.8° | 60.0° |
| C11 | C10 | C15 | C14 | 53.8° | 60.0° |
| C11 | C10 | C15 | C09 | 123.2° | 120.0° |
| C11 | C10 | C15 | H1 | 118.7° | 120.0° |
| C11 | C10 | C09 | H1 | 116.6° | 120.0° |
| C11 | C10 | C09 | N08 | 75.5° | 63.3° |
| C11 | C10 | C09 | C16 | 165.7° | 56.8° |
| C11 | C10 | C15 | H4 | 66.4° | 180.0° |
| C11 | C10 | C15 | H5 | 174.0° | 60.0° |
| C11 | C10 | C09 | H14 | 44.4° | 176.8° |
| C10 | C11 | H15 | H16 | 118.8° | 120.0° |
| C10 | C11 | C12 | H17 | 69.9° | 60.0° |
| C10 | C11 | C12 | H18 | 170.9° | 180.0° |
| C14 | C15 | C10 | H4 | 120.2° | 120.0° |
| C14 | C15 | C10 | H5 | 120.2° | 120.1° |
| C14 | C15 | C10 | C09 | 176.9° | 180.0° |
| C14 | C15 | C10 | H1 | 64.9° | 60.0° |
| C15 | C14 | C13 | H2 | 67.3° | 60.0° |
| C15 | C14 | C13 | H3 | 173.7° | 180.0° |
| C14 | C15 | H4 | H5 | 119.5° | 120.0° |
| C15 | C14 | H19 | H20 | 118.6° | 120.0° |
| C05 | C06 | C07 | H13 | 120.7° | 120.0° |
| C05 | C06 | C07 | O41 | 28.8° | 0.0° |
| C05 | C06 | C07 | N08 | 153.6° | 180.0° |
| C06 | C05 | C04 | H9 | 171.7° | 180.0° |
| C06 | C05 | C04 | H10 | 69.6° | 60.0° |
| C06 | C05 | H11 | H12 | 119.9° | 120.1° |
| C05 | C06 | C42 | H35 | 177.0° | 60.0° |
| C05 | C06 | C42 | H36 | 63.8° | 180.0° |
| C06 | C07 | O41 | N08 | 177.5° | 180.0° |
| C06 | C07 | N08 | C09 | 177.8° | 180.0° |
| C07 | C06 | C05 | H11 | 52.4° | 60.0° |
| C07 | C06 | C05 | H12 | 67.5° | 60.0° |
| C07 | C06 | C42 | H35 | 61.7° | 60.0° |
| C07 | C06 | C42 | H36 | 57.4° | 60.0° |
| C06 | C07 | N08 | H39 | 2.2° | 0.1° |
| O41 | C07 | N08 | C09 | 0.1° | 0.0° |
| O41 | C07 | C06 | H13 | 149.5° | 120.0° |
| O41 | C07 | N08 | H39 | 179.9° | 180.0° |
| C07 | N08 | C09 | C10 | 104.5° | 83.2° |
| C07 | N08 | C09 | H39 | 180.0° | 179.9° |
| C07 | N08 | C09 | C16 | 132.8° | 156.8° |
| N08 | C07 | C06 | H13 | 32.9° | 60.1° |
| C07 | N08 | C09 | H14 | 14.7° | 36.8° |
| C15 | C10 | C09 | H1 | 118.1° | 120.1° |
| C15 | C10 | C09 | N08 | 49.9° | 176.8° |
| C15 | C10 | C09 | C16 | 68.9° | 63.2° |
| C10 | C15 | H4 | H5 | 119.4° | 120.0° |
| C15 | C10 | C09 | H14 | 169.7° | 56.8° |
| C15 | C10 | C11 | H15 | 173.0° | 60.0° |
| C15 | C10 | C11 | H16 | 67.8° | 180.0° |
| C10 | C15 | C14 | H19 | 174.4° | 180.0° |
| C10 | C15 | C14 | H20 | 66.5° | 60.0° |
| C10 | C09 | N08 | C16 | 122.7° | 120.1° |
| C10 | C09 | N08 | H14 | 119.2° | 120.0° |
| C10 | C09 | C16 | H14 | 121.4° | 120.0° |
| C10 | C09 | C16 | O40 | 85.9° | 95.8° |
| C10 | C09 | C16 | N17 | 96.3° | 84.2° |
| C09 | C10 | C15 | H4 | 56.8° | 60.0° |
| C09 | C10 | C15 | H5 | 62.9° | 59.9° |
| C09 | C10 | C11 | H15 | 62.5° | 60.0° |
| C09 | C10 | C11 | H16 | 56.7° | 60.0° |
| C10 | C09 | N08 | H39 | 75.5° | 96.9° |
| N08 | C09 | C16 | H14 | 118.8° | 120.0° |
| N08 | C09 | C16 | O40 | 33.8° | 24.2° |
| N08 | C09 | C16 | N17 | 143.9° | 155.8° |
| N08 | C09 | C10 | H1 | 167.9° | 56.7° |
| C09 | C16 | O40 | N17 | 177.7° | 180.0° |
| C09 | C16 | N17 | C18 | 174.0° | 175.0° |
| C16 | C09 | C10 | H1 | 49.1° | 176.7° |
| C16 | C09 | N08 | H39 | 47.2° | 23.1° |
| C09 | C16 | N17 | H40 | 6.0° | 5.0° |
| O40 | C16 | N17 | C18 | 3.8° | 5.0° |
| O40 | C16 | C09 | H14 | 152.7° | 144.2° |
| O40 | C16 | N17 | H40 | 176.2° | 175.1° |
| C16 | N17 | C18 | H40 | 180.0° | 180.0° |
| C16 | N17 | C18 | C22 | 83.9° | 156.7° |
| C16 | N17 | C18 | C19 | 152.9° | 83.4° |
| N17 | C16 | C09 | H14 | 25.1° | 35.8° |
| C16 | N17 | C18 | H21 | 36.8° | 36.7° |
| O26 | C25 | C27 | N28 | 12.6° | 178.1° |
| O26 | C25 | C24 | C27 | 114.3° | 120.0° |
| O26 | C25 | C24 | H24 | 120.8° | 120.0° |
| O26 | C25 | C27 | H24 | 118.1° | 120.0° |
| O26 | C25 | C24 | C36 | 71.5° | 42.3° |
| O26 | C25 | C24 | N23 | 53.2° | 173.6° |
| O26 | C25 | C24 | C38 | 170.8° | 55.2° |
| O26 | C25 | C27 | O35 | 167.8° | 1.8° |
| N17 | C18 | C22 | N23 | 0.6° | 167.5° |
| N17 | C18 | C22 | C19 | 122.7° | 120.0° |
| N17 | C18 | C22 | H21 | 121.0° | 120.0° |
| N17 | C18 | C19 | H21 | 116.7° | 120.0° |
| N17 | C18 | C22 | O39 | 179.9° | 12.5° |
| N17 | C18 | C19 | O20 | 63.9° | 65.0° |
| N17 | C18 | C19 | H22 | 55.7° | 55.0° |
| N17 | C18 | C19 | H23 | 176.5° | 175.0° |
| C29 | N28 | C27 | H42 | 180.0° | 180.0° |
| C29 | N28 | C27 | C25 | 170.3° | 176.0° |
| N28 | C29 | C30 | H25 | 121.8° | 120.0° |
| N28 | C29 | C30 | H26 | 121.8° | 120.0° |
| C29 | N28 | C27 | O35 | 9.3° | 3.9° |
| N28 | C29 | C30 | N31 | 173.5° | 85.0° |
| N28 | C29 | C30 | S34 | 7.7° | 95.3° |
| N28 | C29 | H25 | H26 | 114.3° | 119.9° |
| N28 | C27 | C25 | C24 | 129.1° | 61.9° |
| N28 | C27 | C25 | O35 | 179.6° | 180.0° |
| C27 | N28 | C29 | C30 | 77.2° | 175.1° |
| N28 | C27 | C25 | H24 | 105.5° | 58.1° |
| C27 | N28 | C29 | H25 | 161.1° | 64.8° |
| C27 | N28 | C29 | H26 | 44.6° | 55.1° |
| C24 | C25 | C27 | H24 | 125.4° | 120.0° |
| C25 | C24 | C36 | N23 | 124.0° | 130.9° |
| C25 | C24 | C36 | C38 | 117.4° | 114.5° |
| C25 | C24 | C36 | C37 | 135.6° | 140.0° |
| C25 | C24 | N23 | C38 | 135.3° | 131.2° |
| C25 | C24 | N23 | C22 | 104.6° | 153.5° |
| C24 | C25 | C27 | O35 | 51.3° | 118.2° |
| C25 | C24 | C38 | C37 | 132.8° | 140.0° |
| C25 | C24 | C36 | H29 | 19.2° | 25.4° |
| C25 | C24 | C36 | H30 | 108.0° | 105.5° |
| C25 | C24 | C38 | H33 | 110.8° | 105.5° |
| C25 | C24 | C38 | H34 | 16.5° | 25.4° |
| C25 | C24 | N23 | H41 | 75.4° | 26.5° |
| C24 | C25 | O26 | H43 | 180.0° | 60.0° |
| C27 | C25 | C24 | C36 | 174.2° | 77.7° |
| C27 | C25 | C24 | N23 | 61.1° | 53.6° |
| C27 | C25 | C24 | C38 | 74.9° | 175.2° |
| C25 | C27 | N28 | H42 | 9.7° | 4.0° |
| C27 | C25 | O26 | H43 | 56.8° | 60.0° |
| C29 | C30 | N31 | S34 | 179.1° | 179.7° |
| C29 | C30 | N31 | C32 | 179.5° | 180.0° |
| C29 | C30 | S34 | C33 | 179.3° | 180.0° |
| C30 | C29 | H25 | H26 | 114.2° | 120.0° |
| C30 | C29 | N28 | H42 | 102.9° | 4.9° |
| C24 | C36 | C37 | H29 | 116.4° | 114.5° |
| C24 | C36 | C37 | H30 | 116.4° | 114.6° |
| C36 | C24 | N23 | C38 | 98.9° | 97.6° |
| C36 | C24 | N23 | C22 | 129.6° | 22.3° |
| C24 | C36 | C37 | C38 | 18.2° | 25.5° |
| C36 | C24 | C25 | H24 | 49.3° | 162.3° |
| C24 | C36 | H29 | H30 | 129.6° | 131.3° |
| C24 | C36 | C37 | H31 | 134.4° | 140.0° |
| C24 | C36 | C37 | H32 | 97.9° | 89.1° |
| C36 | C24 | C38 | H33 | 134.6° | 140.0° |
| C36 | C24 | C38 | H34 | 98.1° | 89.1° |
| C36 | C24 | N23 | H41 | 50.4° | 157.8° |
| C37 | C36 | C24 | N23 | 100.4° | 89.2° |
| C36 | C37 | C38 | H31 | 116.1° | 114.6° |
| C36 | C37 | C38 | H32 | 116.1° | 114.6° |
| C37 | C36 | H29 | H30 | 129.6° | 131.3° |
| C36 | C37 | H31 | H32 | 130.3° | 131.2° |
| C36 | C37 | C38 | H33 | 134.5° | 140.0° |
| C36 | C37 | C38 | H34 | 98.2° | 89.1° |
| C24 | N23 | C22 | H41 | 180.0° | 180.0° |
| C24 | N23 | C22 | C18 | 179.7° | 174.3° |
| C24 | N23 | C22 | O39 | 0.5° | 5.7° |
| N23 | C24 | C38 | C37 | 94.5° | 89.2° |
| N23 | C24 | C25 | H24 | 174.0° | 66.4° |
| N23 | C24 | C36 | H29 | 143.2° | 156.3° |
| N23 | C24 | C36 | H30 | 16.1° | 25.4° |
| N23 | C24 | C38 | H33 | 21.9° | 25.3° |
| N23 | C24 | C38 | H34 | 149.1° | 156.2° |
| C22 | N23 | C24 | C38 | 30.7° | 75.3° |
| N23 | C22 | C18 | O39 | 179.3° | 180.0° |
| N23 | C22 | C18 | C19 | 123.3° | 72.6° |
| N23 | C22 | C18 | H21 | 120.4° | 47.5° |
| C24 | C38 | C37 | H33 | 116.4° | 114.5° |
| C24 | C38 | C37 | H34 | 116.4° | 114.6° |
| C38 | C24 | C25 | H24 | 50.0° | 64.8° |
| C38 | C24 | C36 | H29 | 98.2° | 89.1° |
| C38 | C24 | C36 | H30 | 134.6° | 140.0° |
| C24 | C38 | C37 | H31 | 134.3° | 140.0° |
| C24 | C38 | C37 | H32 | 98.0° | 89.1° |
| C24 | C38 | H33 | H34 | 129.7° | 131.3° |
| C38 | C24 | N23 | H41 | 149.3° | 104.7° |
| O35 | C27 | C25 | H24 | 74.1° | 121.8° |
| O35 | C27 | N28 | H42 | 170.7° | 176.1° |
| N31 | C30 | S34 | C33 | 0.3° | 0.3° |
| C30 | N31 | C32 | C33 | 0.4° | 0.1° |
| N31 | C30 | C29 | H25 | 51.7° | 154.9° |
| N31 | C30 | C29 | H26 | 64.8° | 34.9° |
| C30 | N31 | C32 | H27 | 179.6° | 179.8° |
| S34 | C30 | N31 | C32 | 0.5° | 0.2° |
| C30 | S34 | C33 | C32 | 0.1° | 0.2° |
| S34 | C30 | C29 | H25 | 129.4° | 24.8° |
| S34 | C30 | C29 | H26 | 114.1° | 144.8° |
| C30 | S34 | C33 | H28 | 179.9° | 179.9° |
| N31 | C32 | C33 | S34 | 0.1° | 0.1° |
| N31 | C32 | C33 | H27 | 180.0° | 179.8° |
| N31 | C32 | C33 | H28 | 179.9° | 179.9° |
| C22 | C18 | C19 | H21 | 116.4° | 120.0° |
| C22 | C18 | C19 | O20 | 63.0° | 55.0° |
| C22 | C18 | C19 | H22 | 177.4° | 174.9° |
| C22 | C18 | C19 | H23 | 56.6° | 65.1° |
| C22 | C18 | N17 | H40 | 96.1° | 23.3° |
| C18 | C22 | N23 | H41 | 0.3° | 5.6° |
| C19 | C18 | C22 | O39 | 57.4° | 107.4° |
| C18 | C19 | O20 | H22 | 119.6° | 120.0° |
| C18 | C19 | O20 | H23 | 119.6° | 120.0° |
| C18 | C19 | O20 | C21 | 177.8° | 180.0° |
| C18 | C19 | H22 | H23 | 121.2° | 120.0° |
| C19 | C18 | N17 | H40 | 27.0° | 96.7° |
| S34 | C33 | C32 | H28 | 180.0° | 179.9° |
| S34 | C33 | C32 | H27 | 179.8° | 180.0° |
| O39 | C22 | C18 | H21 | 58.9° | 132.5° |
| O39 | C22 | N23 | H41 | 179.6° | 174.4° |
| C38 | C37 | C36 | H29 | 98.2° | 89.1° |
| C38 | C37 | C36 | H30 | 134.7° | 140.0° |
| C38 | C37 | H31 | H32 | 130.3° | 131.3° |
| C37 | C38 | H33 | H34 | 129.7° | 131.3° |
| C19 | O20 | C21 | H6 | 180.0° | 60.1° |
| C19 | O20 | C21 | H7 | 60.0° | 60.0° |
| C19 | O20 | C21 | H8 | 60.0° | 180.0° |
| O20 | C19 | C18 | H21 | 179.4° | 175.0° |
| O20 | C19 | H22 | H23 | 121.2° | 120.0° |
| O20 | C21 | H6 | H7 | 120.0° | 120.0° |
| O20 | C21 | H6 | H8 | 120.0° | 120.0° |
| O20 | C21 | H7 | H8 | 120.0° | 120.0° |
| C21 | O20 | C19 | H22 | 62.6° | 60.1° |
| C21 | O20 | C19 | H23 | 58.2° | 60.0° |
| H1 | C10 | C15 | H4 | 174.9° | 60.0° |
| H1 | C10 | C15 | H5 | 55.3° | 180.0° |
| H1 | C10 | C09 | H14 | 72.2° | 63.3° |
| H1 | C10 | C11 | H15 | 54.2° | 180.0° |
| H1 | C10 | C11 | H16 | 173.4° | 60.0° |
| H2 | C13 | C12 | H17 | 170.2° | 180.0° |
| H2 | C13 | C12 | H18 | 51.0° | 60.0° |
| H2 | C13 | C14 | H19 | 53.2° | 60.0° |
| H2 | C13 | C14 | H20 | 172.2° | 180.0° |
| H3 | C13 | C12 | H17 | 51.1° | 60.0° |
| H3 | C13 | C12 | H18 | 68.1° | 60.0° |
| H3 | C13 | C14 | H19 | 65.9° | 60.0° |
| H3 | C13 | C14 | H20 | 53.2° | 60.0° |
| H4 | C15 | C14 | H19 | 54.2° | 60.0° |
| H4 | C15 | C14 | H20 | 173.3° | 60.0° |
| H5 | C15 | C14 | H19 | 65.4° | 60.0° |
| H5 | C15 | C14 | H20 | 53.6° | 180.0° |
| H6 | C21 | H7 | H8 | 120.0° | 119.9° |
| H9 | C04 | C05 | H11 | 51.7° | 60.0° |
| H9 | C04 | C05 | H12 | 68.3° | 60.0° |
| H10 | C04 | C05 | H11 | 170.4° | 180.0° |
| H10 | C04 | C05 | H12 | 50.4° | 60.0° |
| H11 | C05 | C06 | H13 | 173.1° | 180.0° |
| H12 | C05 | C06 | H13 | 53.2° | 59.9° |
| H13 | C06 | C42 | H35 | 55.3° | 180.0° |
| H13 | C06 | C42 | H36 | 174.5° | 60.0° |
| H14 | C09 | N08 | H39 | 165.3° | 143.1° |
| H15 | C11 | C12 | H17 | 50.5° | 180.0° |
| H15 | C11 | C12 | H18 | 68.6° | 60.0° |
| H16 | C11 | C12 | H17 | 169.7° | 60.0° |
| H16 | C11 | C12 | H18 | 50.6° | 60.0° |
| H21 | C18 | C19 | H22 | 61.0° | 65.1° |
| H21 | C18 | C19 | H23 | 59.8° | 55.0° |
| H21 | C18 | N17 | H40 | 143.2° | 143.3° |
| H24 | C25 | O26 | H43 | 59.9° | 179.9° |
| H25 | C29 | N28 | H42 | 18.9° | 115.2° |
| H26 | C29 | N28 | H42 | 135.4° | 124.9° |
| H27 | C32 | C33 | H28 | 0.2° | 0.1° |
| H29 | C36 | C37 | H31 | 17.9° | 25.5° |
| H29 | C36 | C37 | H32 | 145.7° | 156.3° |
| H30 | C36 | C37 | H31 | 109.2° | 105.4° |
| H30 | C36 | C37 | H32 | 18.5° | 25.4° |
| H31 | C37 | C38 | H33 | 109.3° | 105.5° |
| H31 | C37 | C38 | H34 | 17.9° | 25.5° |
| H32 | C37 | C38 | H33 | 18.4° | 25.4° |
| H32 | C37 | C38 | H34 | 145.6° | 156.3° |
| H35 | C42 | C43 | H37 | 51.7° | 180.0° |
| H35 | C42 | C43 | H38 | 67.7° | 60.0° |
| H36 | C42 | C43 | H37 | 170.9° | 60.0° |
| H36 | C42 | C43 | H38 | 51.4° | 60.0° |
