0OD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| RH | C15 | sing | 2.10Å | 2.10Å | |
| RH | C17 | sing | 2.09Å | 2.09Å | |
| RH | C16 | sing | 2.12Å | 2.12Å | |
| RH | CL1 | sing | 2.41Å | 2.41Å | |
| C1 | N2 | sing | 1.35Å | 1.35Å | |
| N1 | C2 | sing | 1.66Å | 1.66Å | |
| N1 | C1 | sing | 1.23Å | 1.23Å | |
| N1 | H1 | sing | 1.00Å | 1.00Å | |
| O1 | C1 | doub | 1.23Å | 1.23Å | |
| S1 | C5 | sing | 1.84Å | 1.84Å | |
| C2 | C4 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.10Å | 1.10Å | |
| N2 | C4 | sing | 1.56Å | 1.56Å | |
| N2 | H3 | sing | 1.00Å | 1.00Å | |
| C3 | C2 | sing | 1.61Å | 1.61Å | |
| C3 | S1 | sing | 1.78Å | 1.78Å | |
| C3 | H4 | sing | 1.10Å | 1.10Å | |
| C3 | H5 | sing | 1.10Å | 1.10Å | |
| N3 | C10 | sing | 1.39Å | 1.39Å | |
| N3 | C11 | sing | 1.51Å | 1.51Å | |
| N3 | H6 | sing | 1.00Å | 1.00Å | |
| C4 | C5 | sing | 1.50Å | 1.50Å | |
| C4 | H7 | sing | 1.10Å | 1.10Å | |
| C5 | C6 | sing | 1.54Å | 1.54Å | |
| C5 | H8 | sing | 1.10Å | 1.10Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C6 | H9 | sing | 1.10Å | 1.10Å | |
| C6 | H10 | sing | 1.10Å | 1.10Å | |
| C7 | C8 | sing | 1.50Å | 1.50Å | |
| C7 | H11 | sing | 1.10Å | 1.10Å | |
| C7 | H12 | sing | 1.10Å | 1.10Å | |
| C8 | C9 | sing | 1.63Å | 1.63Å | |
| C8 | H13 | sing | 1.10Å | 1.10Å | |
| C8 | H14 | sing | 1.10Å | 1.10Å | |
| C9 | C10 | sing | 1.57Å | 1.57Å | |
| C9 | H15 | sing | 1.10Å | 1.10Å | |
| C9 | H16 | sing | 1.10Å | 1.10Å | |
| C10 | O2 | doub | 1.30Å | 1.30Å | |
| C11 | H17 | sing | 1.10Å | 1.10Å | |
| C11 | H18 | sing | 1.10Å | 1.10Å | |
| C12 | C11 | sing | 1.51Å | 1.51Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C12 | H19 | sing | 1.10Å | 1.10Å | |
| C12 | H20 | sing | 1.10Å | 1.10Å | |
| C13 | RH | sing | 2.11Å | 2.11Å | |
| C13 | C17 | sing | 1.41Å | 1.41Å | |
| C14 | C13 | doub | 1.41Å | 1.41Å | |
| C14 | RH | sing | 2.08Å | 2.08Å | |
| C14 | C15 | sing | 1.42Å | 1.42Å | |
| C15 | C19 | sing | 1.50Å | 1.50Å | |
| C15 | C16 | doub | 1.40Å | 1.40Å | |
| C16 | C20 | sing | 1.50Å | 1.50Å | |
| C17 | C16 | sing | 1.41Å | 1.41Å | |
| C17 | C21 | sing | 1.50Å | 1.50Å | |
| C18 | C14 | sing | 1.50Å | 1.50Å | |
| C18 | H21 | sing | 1.10Å | 1.10Å | |
| C18 | H22 | sing | 1.10Å | 1.10Å | |
| C18 | H23 | sing | 1.10Å | 1.10Å | |
| C19 | H24 | sing | 1.10Å | 1.10Å | |
| C19 | H25 | sing | 1.10Å | 1.10Å | |
| C19 | H26 | sing | 1.10Å | 1.10Å | |
| C20 | H27 | sing | 1.10Å | 1.10Å | |
| C20 | H28 | sing | 1.10Å | 1.10Å | |
| C20 | H29 | sing | 1.10Å | 1.10Å | |
| C21 | H30 | sing | 1.10Å | 1.10Å | |
| C21 | H31 | sing | 1.10Å | 1.10Å | |
| C21 | H32 | sing | 1.10Å | 1.10Å | |
| RH | CL2 | sing | 2.25Å | 2.25Å | |
| RH | CL3 | sing | 2.25Å | 2.25Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | RH | C17 | 65.6° | 65.6° |
| C15 | RH | C16 | 38.8° | 38.8° |
| C15 | RH | CL1 | 103.4° | 103.4° |
| C15 | RH | C13 | 66.5° | 66.5° |
| C15 | RH | C14 | 39.7° | 39.7° |
| RH | C15 | C14 | 69.4° | 69.4° |
| RH | C15 | C19 | 125.5° | 125.5° |
| RH | C15 | C16 | 71.6° | 71.6° |
| C15 | RH | CL2 | 161.2° | 161.2° |
| C15 | RH | CL3 | 150.2° | 150.2° |
| C17 | RH | C16 | 39.0° | 39.0° |
| C17 | RH | CL1 | 118.1° | 118.1° |
| C17 | RH | C13 | 39.1° | 39.1° |
| RH | C17 | C13 | 70.9° | 70.9° |
| C17 | RH | C14 | 65.5° | 65.5° |
| RH | C17 | C16 | 71.6° | 71.6° |
| RH | C17 | C21 | 125.5° | 125.5° |
| C17 | RH | CL2 | 127.1° | 127.1° |
| C17 | RH | CL3 | 84.6° | 84.6° |
| C16 | RH | CL1 | 93.0° | 93.0° |
| C16 | RH | C13 | 65.8° | 65.8° |
| C16 | RH | C14 | 65.6° | 65.6° |
| RH | C16 | C15 | 69.5° | 69.5° |
| RH | C16 | C20 | 124.7° | 124.7° |
| RH | C16 | C17 | 69.4° | 69.4° |
| C16 | RH | CL2 | 140.3° | 140.3° |
| C16 | RH | CL3 | 115.2° | 115.2° |
| CL1 | RH | C13 | 156.9° | 156.9° |
| CL1 | RH | C14 | 141.0° | 141.0° |
| CL1 | RH | CL2 | 59.2° | 59.2° |
| CL1 | RH | CL3 | 89.8° | 89.8° |
| N2 | C1 | N1 | 112.3° | 112.3° |
| N2 | C1 | O1 | 124.8° | 124.8° |
| C1 | N2 | C4 | 116.5° | 116.5° |
| C1 | N2 | H3 | 121.8° | 121.8° |
| C2 | N1 | C1 | 109.5° | 109.5° |
| C2 | N1 | H1 | 125.3° | 125.3° |
| N1 | C2 | C4 | 104.5° | 104.5° |
| N1 | C2 | H2 | 111.2° | 111.2° |
| N1 | C2 | C3 | 113.2° | 113.2° |
| C1 | N1 | H1 | 125.3° | 125.3° |
| N1 | C1 | O1 | 122.9° | 122.9° |
| C5 | S1 | C3 | 85.5° | 85.5° |
| S1 | C5 | C4 | 105.2° | 105.2° |
| S1 | C5 | C6 | 112.8° | 112.8° |
| S1 | C5 | H8 | 106.0° | 106.0° |
| C4 | C2 | H2 | 113.0° | 113.0° |
| C2 | C4 | N2 | 97.2° | 97.2° |
| C4 | C2 | C3 | 102.6° | 102.6° |
| C2 | C4 | C5 | 112.3° | 112.3° |
| C2 | C4 | H7 | 111.7° | 111.7° |
| H2 | C2 | C3 | 111.9° | 111.9° |
| C4 | N2 | H3 | 121.8° | 121.8° |
| N2 | C4 | C5 | 111.4° | 111.4° |
| N2 | C4 | H7 | 111.2° | 111.2° |
| C2 | C3 | S1 | 107.8° | 107.8° |
| C2 | C3 | H4 | 109.9° | 109.9° |
| C2 | C3 | H5 | 109.9° | 109.9° |
| S1 | C3 | H4 | 109.9° | 109.9° |
| S1 | C3 | H5 | 109.9° | 109.9° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| C10 | N3 | C11 | 110.2° | 110.2° |
| C10 | N3 | H6 | 124.9° | 124.9° |
| N3 | C10 | C9 | 120.8° | 120.8° |
| N3 | C10 | O2 | 119.7° | 119.7° |
| C11 | N3 | H6 | 124.9° | 124.9° |
| N3 | C11 | H17 | 108.6° | 108.6° |
| N3 | C11 | H18 | 108.6° | 108.6° |
| N3 | C11 | C12 | 113.0° | 113.0° |
| C5 | C4 | H7 | 112.2° | 112.2° |
| C4 | C5 | C6 | 113.5° | 113.5° |
| C4 | C5 | H8 | 109.8° | 109.8° |
| C6 | C5 | H8 | 109.2° | 109.2° |
| C5 | C6 | C7 | 108.9° | 108.9° |
| C5 | C6 | H9 | 109.6° | 109.6° |
| C5 | C6 | H10 | 109.6° | 109.6° |
| C7 | C6 | H9 | 109.6° | 109.6° |
| C7 | C6 | H10 | 109.6° | 109.6° |
| C6 | C7 | C8 | 112.7° | 112.7° |
| C6 | C7 | H11 | 108.6° | 108.6° |
| C6 | C7 | H12 | 108.7° | 108.6° |
| H9 | C6 | H10 | 109.4° | 109.4° |
| C8 | C7 | H11 | 108.6° | 108.6° |
| C8 | C7 | H12 | 108.6° | 108.6° |
| C7 | C8 | C9 | 108.7° | 108.7° |
| C7 | C8 | H13 | 109.6° | 109.6° |
| C7 | C8 | H14 | 109.7° | 109.7° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| C9 | C8 | H13 | 109.7° | 109.7° |
| C9 | C8 | H14 | 109.7° | 109.7° |
| C8 | C9 | C10 | 108.9° | 108.9° |
| C8 | C9 | H15 | 109.6° | 109.6° |
| C8 | C9 | H16 | 109.6° | 109.6° |
| H13 | C8 | H14 | 109.5° | 109.5° |
| C10 | C9 | H15 | 109.6° | 109.6° |
| C10 | C9 | H16 | 109.6° | 109.6° |
| C9 | C10 | O2 | 119.5° | 119.5° |
| H15 | C9 | H16 | 109.5° | 109.5° |
| H17 | C11 | H18 | 109.4° | 109.4° |
| H17 | C11 | C12 | 108.6° | 108.6° |
| H18 | C11 | C12 | 108.6° | 108.6° |
| C11 | C12 | C13 | 110.0° | 110.0° |
| C11 | C12 | H19 | 109.3° | 109.3° |
| C11 | C12 | H20 | 109.4° | 109.4° |
| C13 | C12 | H19 | 109.3° | 109.3° |
| C13 | C12 | H20 | 109.3° | 109.3° |
| C12 | C13 | RH | 124.7° | 124.7° |
| C12 | C13 | C17 | 126.4° | 126.4° |
| C12 | C13 | C14 | 127.3° | 127.3° |
| H19 | C12 | H20 | 109.5° | 109.5° |
| RH | C13 | C17 | 69.9° | 69.9° |
| RH | C13 | C14 | 69.1° | 69.1° |
| C13 | RH | C14 | 39.5° | 39.5° |
| C13 | RH | CL2 | 132.3° | 132.3° |
| C13 | RH | CL3 | 91.0° | 91.0° |
| C17 | C13 | C14 | 106.3° | 106.3° |
| C13 | C17 | C16 | 109.5° | 109.5° |
| C13 | C17 | C21 | 125.4° | 125.4° |
| C13 | C14 | RH | 71.4° | 71.4° |
| C13 | C14 | C15 | 109.0° | 109.0° |
| C13 | C14 | C18 | 125.8° | 125.8° |
| RH | C14 | C15 | 70.9° | 70.9° |
| RH | C14 | C18 | 124.7° | 124.7° |
| C14 | RH | CL2 | 153.3° | 153.3° |
| C14 | RH | CL3 | 128.3° | 128.3° |
| C14 | C15 | C19 | 126.5° | 126.5° |
| C14 | C15 | C16 | 107.4° | 107.4° |
| C15 | C14 | C18 | 125.2° | 125.2° |
| C19 | C15 | C16 | 126.0° | 126.0° |
| C15 | C19 | H24 | 109.5° | 109.5° |
| C15 | C19 | H25 | 109.5° | 109.5° |
| C15 | C19 | H26 | 109.5° | 109.5° |
| C15 | C16 | C20 | 126.2° | 126.2° |
| C15 | C16 | C17 | 107.7° | 107.7° |
| C20 | C16 | C17 | 126.0° | 126.0° |
| C16 | C20 | H27 | 109.5° | 109.5° |
| C16 | C20 | H28 | 109.4° | 109.4° |
| C16 | C20 | H29 | 109.4° | 109.4° |
| C16 | C17 | C21 | 125.1° | 125.1° |
| C17 | C21 | H30 | 109.5° | 109.5° |
| C17 | C21 | H31 | 109.4° | 109.4° |
| C17 | C21 | H32 | 109.5° | 109.5° |
| C14 | C18 | H21 | 109.5° | 109.5° |
| C14 | C18 | H22 | 109.5° | 109.5° |
| C14 | C18 | H23 | 109.5° | 109.5° |
| H21 | C18 | H22 | 109.4° | 109.4° |
| H21 | C18 | H23 | 109.4° | 109.4° |
| H22 | C18 | H23 | 109.5° | 109.5° |
| H24 | C19 | H25 | 109.4° | 109.4° |
| H24 | C19 | H26 | 109.5° | 109.5° |
| H25 | C19 | H26 | 109.5° | 109.5° |
| H27 | C20 | H28 | 109.5° | 109.5° |
| H27 | C20 | H29 | 109.5° | 109.5° |
| H28 | C20 | H29 | 109.5° | 109.5° |
| H30 | C21 | H31 | 109.4° | 109.4° |
| H30 | C21 | H32 | 109.5° | 109.5° |
| H31 | C21 | H32 | 109.5° | 109.5° |
| CL2 | RH | CL3 | 45.0° | 45.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | RH | C17 | C16 | 37.0° | 37.0° |
| C15 | RH | C17 | CL1 | 92.6° | 92.6° |
| C15 | RH | C17 | C13 | 82.2° | 82.2° |
| C15 | RH | C17 | C14 | 43.8° | 43.8° |
| C15 | RH | C17 | CL2 | 163.8° | 163.8° |
| C15 | RH | C17 | CL3 | 179.6° | 179.6° |
| C15 | RH | C16 | CL1 | 107.7° | 107.7° |
| C15 | RH | C16 | C13 | 82.0° | 82.0° |
| C15 | RH | C16 | C14 | 38.5° | 38.5° |
| C15 | RH | C16 | CL2 | 150.0° | 150.0° |
| C15 | RH | C16 | CL3 | 161.1° | 161.1° |
| C15 | RH | CL1 | C13 | 60.9° | 60.9° |
| C15 | RH | CL1 | C14 | 15.8° | 15.8° |
| C15 | RH | CL1 | CL2 | 172.1° | 172.1° |
| C15 | RH | CL1 | CL3 | 153.1° | 153.1° |
| C15 | RH | C13 | C12 | 159.3° | 159.3° |
| C15 | RH | C13 | C14 | 37.7° | 37.7° |
| C15 | RH | C13 | CL2 | 179.7° | 179.7° |
| C15 | RH | C13 | CL3 | 159.9° | 159.9° |
| C15 | RH | C14 | CL2 | 154.5° | 154.5° |
| C15 | RH | C14 | CL3 | 141.3° | 141.3° |
| RH | C15 | C14 | C19 | 119.5° | 119.5° |
| RH | C15 | C19 | C16 | 92.2° | 92.2° |
| C15 | RH | C16 | C20 | 120.6° | 120.6° |
| C15 | RH | C17 | C21 | 157.4° | 157.4° |
| RH | C15 | C14 | C18 | 119.5° | 119.5° |
| RH | C15 | C19 | H24 | 180.0° | 180.0° |
| RH | C15 | C19 | H25 | 60.0° | 60.0° |
| RH | C15 | C19 | H26 | 60.0° | 60.0° |
| C15 | RH | CL2 | CL3 | 150.5° | 150.5° |
| C17 | RH | C16 | CL1 | 133.1° | 133.1° |
| C17 | RH | C16 | C13 | 37.2° | 37.2° |
| C17 | RH | C16 | C14 | 80.7° | 80.7° |
| C17 | RH | C16 | CL2 | 90.8° | 90.8° |
| C17 | RH | C16 | CL3 | 41.9° | 41.9° |
| C17 | RH | CL1 | C13 | 8.4° | 8.4° |
| C17 | RH | CL1 | C14 | 85.0° | 85.0° |
| C17 | RH | CL1 | CL2 | 118.6° | 118.6° |
| C17 | RH | CL1 | CL3 | 83.8° | 83.8° |
| RH | C17 | C13 | C12 | 118.9° | 118.9° |
| C17 | RH | C13 | C14 | 117.4° | 117.4° |
| C17 | RH | C13 | CL2 | 100.0° | 100.0° |
| C17 | RH | C13 | CL3 | 80.2° | 80.2° |
| RH | C17 | C13 | C21 | 120.5° | 120.5° |
| C17 | RH | C14 | CL2 | 124.8° | 124.8° |
| C17 | RH | C14 | CL3 | 60.6° | 60.6° |
| C17 | RH | C15 | C19 | 158.7° | 158.7° |
| C17 | RH | C16 | C20 | 120.3° | 120.3° |
| RH | C17 | C16 | C21 | 120.9° | 120.9° |
| C17 | RH | C14 | C18 | 159.2° | 159.2° |
| RH | C17 | C21 | H30 | 180.0° | 180.0° |
| RH | C17 | C21 | H31 | 60.0° | 60.0° |
| RH | C17 | C21 | H32 | 60.0° | 60.0° |
| C17 | RH | CL2 | CL3 | 22.5° | 22.5° |
| C16 | RH | CL1 | C13 | 23.0° | 23.0° |
| C16 | RH | CL1 | C14 | 53.7° | 53.7° |
| C16 | RH | CL1 | CL2 | 150.0° | 150.0° |
| C16 | RH | CL1 | CL3 | 115.2° | 115.2° |
| C16 | RH | C13 | C12 | 158.1° | 158.1° |
| C16 | RH | C13 | C14 | 80.3° | 80.3° |
| C16 | RH | C13 | CL2 | 137.1° | 137.1° |
| C16 | RH | C13 | CL3 | 117.3° | 117.3° |
| C16 | RH | C14 | CL2 | 167.9° | 167.9° |
| C16 | RH | C14 | CL3 | 103.7° | 103.7° |
| C16 | RH | C14 | C18 | 157.8° | 157.8° |
| RH | C16 | C20 | H27 | 180.0° | 180.0° |
| RH | C16 | C20 | H28 | 60.0° | 60.0° |
| RH | C16 | C20 | H29 | 60.0° | 60.0° |
| C16 | RH | CL2 | CL3 | 74.7° | 74.7° |
| CL1 | RH | C13 | C12 | 132.8° | 132.8° |
| CL1 | RH | C13 | C14 | 105.6° | 105.6° |
| CL1 | RH | C13 | CL2 | 111.8° | 111.8° |
| CL1 | RH | C13 | CL3 | 91.9° | 91.9° |
| CL1 | RH | C14 | CL2 | 130.1° | 130.1° |
| CL1 | RH | C14 | CL3 | 165.7° | 165.7° |
| CL1 | RH | C15 | C19 | 43.6° | 43.6° |
| CL1 | RH | C16 | C20 | 12.9° | 12.9° |
| CL1 | RH | C17 | C21 | 64.7° | 64.7° |
| CL1 | RH | C14 | C18 | 95.7° | 95.7° |
| CL1 | RH | CL2 | CL3 | 126.2° | 126.2° |
| N2 | C1 | N1 | C2 | 0.5° | 0.5° |
| N2 | C1 | N1 | O1 | 180.0° | 180.0° |
| N2 | C1 | N1 | H1 | 179.5° | 179.5° |
| C1 | N2 | C4 | C2 | 2.5° | 2.5° |
| C1 | N2 | C4 | H3 | 180.0° | 180.0° |
| C1 | N2 | C4 | C5 | 120.0° | 120.0° |
| C1 | N2 | C4 | H7 | 114.1° | 114.1° |
| C2 | N1 | C1 | H1 | 180.0° | 180.0° |
| C2 | N1 | C1 | O1 | 179.4° | 179.4° |
| N1 | C2 | C4 | H2 | 121.0° | 121.0° |
| N1 | C2 | C4 | C3 | 118.3° | 118.3° |
| N1 | C2 | H2 | C3 | 127.6° | 127.6° |
| N1 | C2 | C4 | N2 | 2.4° | 2.4° |
| N1 | C2 | C3 | S1 | 78.5° | 78.5° |
| N1 | C2 | C3 | H4 | 161.8° | 161.8° |
| N1 | C2 | C3 | H5 | 41.3° | 41.3° |
| N1 | C2 | C4 | C5 | 119.2° | 119.2° |
| N1 | C2 | C4 | H7 | 113.8° | 113.8° |
| C1 | N1 | C2 | C4 | 2.2° | 2.2° |
| C1 | N1 | C2 | H2 | 124.4° | 124.4° |
| N1 | C1 | N2 | C4 | 1.3° | 1.3° |
| N1 | C1 | N2 | H3 | 178.7° | 178.7° |
| C1 | N1 | C2 | C3 | 108.6° | 108.6° |
| H1 | N1 | C1 | O1 | 0.6° | 0.6° |
| H1 | N1 | C2 | C4 | 177.9° | 177.9° |
| H1 | N1 | C2 | H2 | 55.6° | 55.6° |
| H1 | N1 | C2 | C3 | 71.3° | 71.3° |
| O1 | C1 | N2 | C4 | 178.7° | 178.7° |
| O1 | C1 | N2 | H3 | 1.3° | 1.3° |
| S1 | C5 | C4 | C2 | 33.4° | 33.4° |
| S1 | C5 | C4 | N2 | 74.5° | 74.5° |
| C5 | S1 | C3 | C2 | 46.0° | 46.0° |
| C5 | S1 | C3 | H4 | 73.8° | 73.8° |
| C5 | S1 | C3 | H5 | 165.7° | 165.7° |
| S1 | C5 | C4 | C6 | 123.8° | 123.8° |
| S1 | C5 | C4 | H8 | 113.7° | 113.7° |
| S1 | C5 | C4 | H7 | 160.1° | 160.1° |
| S1 | C5 | C6 | H8 | 117.6° | 117.6° |
| S1 | C5 | C6 | C7 | 71.5° | 71.5° |
| S1 | C5 | C6 | H9 | 48.4° | 48.4° |
| S1 | C5 | C6 | H10 | 168.6° | 168.6° |
| C4 | C2 | H2 | C3 | 115.2° | 115.2° |
| C2 | C4 | N2 | C5 | 117.4° | 117.4° |
| C2 | C4 | N2 | H7 | 116.6° | 116.6° |
| C2 | C4 | N2 | H3 | 177.5° | 177.5° |
| C4 | C2 | C3 | S1 | 33.5° | 33.5° |
| C4 | C2 | C3 | H4 | 86.3° | 86.3° |
| C4 | C2 | C3 | H5 | 153.2° | 153.2° |
| C2 | C4 | C5 | H7 | 126.7° | 126.7° |
| C2 | C4 | C5 | C6 | 157.2° | 157.2° |
| C2 | C4 | C5 | H8 | 80.3° | 80.3° |
| H2 | C2 | C4 | N2 | 123.4° | 123.4° |
| H2 | C2 | C3 | S1 | 154.9° | 154.9° |
| H2 | C2 | C3 | H4 | 35.2° | 35.2° |
| H2 | C2 | C3 | H5 | 85.3° | 85.3° |
| H2 | C2 | C4 | C5 | 119.8° | 119.8° |
| H2 | C2 | C4 | H7 | 7.2° | 7.2° |
| N2 | C4 | C2 | C3 | 115.8° | 115.8° |
| N2 | C4 | C5 | H7 | 125.4° | 125.4° |
| N2 | C4 | C5 | C6 | 49.3° | 49.3° |
| N2 | C4 | C5 | H8 | 171.8° | 171.8° |
| H3 | N2 | C4 | C5 | 60.0° | 60.0° |
| H3 | N2 | C4 | H7 | 65.9° | 65.9° |
| C2 | C3 | S1 | H4 | 119.7° | 119.7° |
| C2 | C3 | S1 | H5 | 119.8° | 119.8° |
| C2 | C3 | H4 | H5 | 120.8° | 120.8° |
| C3 | C2 | C4 | C5 | 0.9° | 0.9° |
| C3 | C2 | C4 | H7 | 127.9° | 127.9° |
| S1 | C3 | H4 | H5 | 120.8° | 120.8° |
| C3 | S1 | C5 | C4 | 45.3° | 45.3° |
| C3 | S1 | C5 | C6 | 169.5° | 169.5° |
| C3 | S1 | C5 | H8 | 71.0° | 71.0° |
| C10 | N3 | C11 | H6 | 180.0° | 180.0° |
| N3 | C10 | C9 | C8 | 143.2° | 143.2° |
| N3 | C10 | C9 | O2 | 179.7° | 179.7° |
| N3 | C10 | C9 | H15 | 23.3° | 23.3° |
| N3 | C10 | C9 | H16 | 96.9° | 96.9° |
| C10 | N3 | C11 | H17 | 158.7° | 158.7° |
| C10 | N3 | C11 | H18 | 39.8° | 39.8° |
| C10 | N3 | C11 | C12 | 80.8° | 80.8° |
| C11 | N3 | C10 | C9 | 164.6° | 164.6° |
| C11 | N3 | C10 | O2 | 15.7° | 15.7° |
| N3 | C11 | H17 | H18 | 118.4° | 118.4° |
| N3 | C11 | H17 | C12 | 123.3° | 123.3° |
| N3 | C11 | H18 | C12 | 123.3° | 123.3° |
| N3 | C11 | C12 | C13 | 174.7° | 174.7° |
| N3 | C11 | C12 | H19 | 65.2° | 65.2° |
| N3 | C11 | C12 | H20 | 54.7° | 54.7° |
| H6 | N3 | C10 | C9 | 15.4° | 15.4° |
| H6 | N3 | C10 | O2 | 164.4° | 164.4° |
| H6 | N3 | C11 | H17 | 21.3° | 21.3° |
| H6 | N3 | C11 | H18 | 140.2° | 140.2° |
| H6 | N3 | C11 | C12 | 99.2° | 99.2° |
| C4 | C5 | C6 | H8 | 122.8° | 122.8° |
| C4 | C5 | C6 | C7 | 169.0° | 169.0° |
| C4 | C5 | C6 | H9 | 71.1° | 71.1° |
| C4 | C5 | C6 | H10 | 49.0° | 49.0° |
| H7 | C4 | C5 | C6 | 76.1° | 76.1° |
| H7 | C4 | C5 | H8 | 46.4° | 46.4° |
| C5 | C6 | C7 | H9 | 119.9° | 119.9° |
| C5 | C6 | C7 | H10 | 119.9° | 119.9° |
| C5 | C6 | H9 | H10 | 120.2° | 120.2° |
| C5 | C6 | C7 | C8 | 179.4° | 179.4° |
| C5 | C6 | C7 | H11 | 60.1° | 60.1° |
| C5 | C6 | C7 | H12 | 59.0° | 59.0° |
| H8 | C5 | C6 | C7 | 46.2° | 46.2° |
| H8 | C5 | C6 | H9 | 166.1° | 166.1° |
| H8 | C5 | C6 | H10 | 73.8° | 73.8° |
| C7 | C6 | H9 | H10 | 120.3° | 120.3° |
| C6 | C7 | C8 | H11 | 120.5° | 120.5° |
| C6 | C7 | C8 | H12 | 120.5° | 120.5° |
| C6 | C7 | H11 | H12 | 118.6° | 118.5° |
| C6 | C7 | C8 | C9 | 177.3° | 177.3° |
| C6 | C7 | C8 | H13 | 57.4° | 57.4° |
| C6 | C7 | C8 | H14 | 62.8° | 62.8° |
| H9 | C6 | C7 | C8 | 59.5° | 59.5° |
| H9 | C6 | C7 | H11 | 180.0° | 180.0° |
| H9 | C6 | C7 | H12 | 60.9° | 61.0° |
| H10 | C6 | C7 | C8 | 60.6° | 60.6° |
| H10 | C6 | C7 | H11 | 59.8° | 59.8° |
| H10 | C6 | C7 | H12 | 178.9° | 178.9° |
| C8 | C7 | H11 | H12 | 118.5° | 118.5° |
| C7 | C8 | C9 | H13 | 119.9° | 119.9° |
| C7 | C8 | C9 | H14 | 119.9° | 119.9° |
| C7 | C8 | H13 | H14 | 120.4° | 120.4° |
| C7 | C8 | C9 | C10 | 79.2° | 79.2° |
| C7 | C8 | C9 | H15 | 40.7° | 40.7° |
| C7 | C8 | C9 | H16 | 160.9° | 160.9° |
| H11 | C7 | C8 | C9 | 62.2° | 62.2° |
| H11 | C7 | C8 | H13 | 177.9° | 177.9° |
| H11 | C7 | C8 | H14 | 57.7° | 57.7° |
| H12 | C7 | C8 | C9 | 56.8° | 56.9° |
| H12 | C7 | C8 | H13 | 63.0° | 63.0° |
| H12 | C7 | C8 | H14 | 176.7° | 176.7° |
| C9 | C8 | H13 | H14 | 120.4° | 120.4° |
| C8 | C9 | C10 | H15 | 119.9° | 119.9° |
| C8 | C9 | C10 | H16 | 119.9° | 119.9° |
| C8 | C9 | H15 | H16 | 120.3° | 120.3° |
| C8 | C9 | C10 | O2 | 36.5° | 36.5° |
| H13 | C8 | C9 | C10 | 160.9° | 160.9° |
| H13 | C8 | C9 | H15 | 79.2° | 79.2° |
| H13 | C8 | C9 | H16 | 41.0° | 41.0° |
| H14 | C8 | C9 | C10 | 40.7° | 40.7° |
| H14 | C8 | C9 | H15 | 160.6° | 160.6° |
| H14 | C8 | C9 | H16 | 79.3° | 79.3° |
| C10 | C9 | H15 | H16 | 120.2° | 120.2° |
| H15 | C9 | C10 | O2 | 156.4° | 156.4° |
| H16 | C9 | C10 | O2 | 83.4° | 83.4° |
| H17 | C11 | H18 | C12 | 118.4° | 118.4° |
| H17 | C11 | C12 | C13 | 54.2° | 54.2° |
| H17 | C11 | C12 | H19 | 174.3° | 174.3° |
| H17 | C11 | C12 | H20 | 65.8° | 65.8° |
| H18 | C11 | C12 | C13 | 64.7° | 64.7° |
| H18 | C11 | C12 | H19 | 55.4° | 55.4° |
| H18 | C11 | C12 | H20 | 175.2° | 175.2° |
| C11 | C12 | C13 | H19 | 120.1° | 120.1° |
| C11 | C12 | C13 | H20 | 120.1° | 120.1° |
| C11 | C12 | H19 | H20 | 119.8° | 119.8° |
| C11 | C12 | C13 | RH | 148.4° | 148.4° |
| C11 | C12 | C13 | C17 | 58.9° | 58.9° |
| C11 | C12 | C13 | C14 | 122.7° | 122.7° |
| C13 | C12 | H19 | H20 | 119.7° | 119.7° |
| C12 | C13 | RH | C14 | 121.6° | 121.6° |
| C12 | C13 | C17 | C14 | 178.7° | 178.7° |
| C12 | C13 | C14 | C15 | 179.6° | 179.6° |
| C12 | C13 | C17 | C16 | 179.5° | 179.5° |
| C12 | C13 | C17 | C21 | 1.6° | 1.6° |
| C12 | C13 | C14 | C18 | 1.5° | 1.5° |
| C12 | C13 | RH | CL2 | 21.0° | 21.0° |
| C12 | C13 | RH | CL3 | 40.8° | 40.8° |
| H19 | C12 | C13 | RH | 28.3° | 28.3° |
| H19 | C12 | C13 | C17 | 61.2° | 61.2° |
| H19 | C12 | C13 | C14 | 117.2° | 117.2° |
| H20 | C12 | C13 | RH | 91.5° | 91.5° |
| H20 | C12 | C13 | C17 | 178.9° | 178.9° |
| H20 | C12 | C13 | C14 | 2.6° | 2.6° |
| C13 | RH | C14 | CL2 | 86.8° | 86.8° |
| C13 | RH | C14 | CL3 | 22.6° | 22.6° |
| C13 | RH | C15 | C19 | 158.3° | 158.3° |
| C13 | RH | C16 | C20 | 157.4° | 157.4° |
| C13 | RH | C14 | C18 | 121.2° | 121.2° |
| C13 | RH | CL2 | CL3 | 28.7° | 28.7° |
| C17 | C13 | C14 | C15 | 0.9° | 0.9° |
| C13 | C17 | C16 | C15 | 2.0° | 2.0° |
| C13 | C17 | C16 | C20 | 179.7° | 179.7° |
| C13 | C17 | C16 | C21 | 177.9° | 177.9° |
| C17 | C13 | C14 | C18 | 179.8° | 179.8° |
| C13 | C17 | C21 | H30 | 89.1° | 89.1° |
| C13 | C17 | C21 | H31 | 30.9° | 30.9° |
| C13 | C17 | C21 | H32 | 150.8° | 150.8° |
| C13 | C14 | C15 | C18 | 178.9° | 178.9° |
| C13 | C14 | C15 | C19 | 178.9° | 178.9° |
| C13 | C14 | C15 | C16 | 0.2° | 0.2° |
| C14 | C13 | C17 | C16 | 1.8° | 1.8° |
| C14 | C13 | C17 | C21 | 179.7° | 179.7° |
| C13 | C14 | C18 | H21 | 180.0° | 180.0° |
| C13 | C14 | C18 | H22 | 60.0° | 60.0° |
| C13 | C14 | C18 | H23 | 60.0° | 60.0° |
| C14 | RH | C16 | C20 | 159.0° | 159.0° |
| C14 | RH | C17 | C21 | 158.8° | 158.8° |
| RH | C14 | C18 | H21 | 88.8° | 88.8° |
| RH | C14 | C18 | H22 | 31.2° | 31.2° |
| RH | C14 | C18 | H23 | 151.2° | 151.2° |
| C14 | RH | CL2 | CL3 | 87.9° | 87.9° |
| C14 | C15 | C19 | C16 | 178.4° | 178.4° |
| C14 | C15 | C16 | C20 | 179.1° | 179.1° |
| C14 | C15 | C16 | C17 | 1.3° | 1.3° |
| C15 | C14 | C18 | H21 | 1.3° | 1.3° |
| C15 | C14 | C18 | H22 | 121.3° | 121.3° |
| C15 | C14 | C18 | H23 | 118.7° | 118.7° |
| C14 | C15 | C19 | H24 | 90.6° | 90.6° |
| C14 | C15 | C19 | H25 | 149.4° | 149.4° |
| C14 | C15 | C19 | H26 | 29.4° | 29.4° |
| C19 | C15 | C16 | C20 | 2.3° | 2.3° |
| C19 | C15 | C16 | C17 | 180.0° | 180.0° |
| C19 | C15 | C14 | C18 | 0.0° | 0.0° |
| C15 | C19 | H24 | H25 | 120.0° | 120.0° |
| C15 | C19 | H24 | H26 | 120.0° | 120.0° |
| C15 | C19 | H25 | H26 | 120.0° | 120.0° |
| C19 | C15 | RH | CL2 | 22.3° | 22.3° |
| C19 | C15 | RH | CL3 | 157.8° | 157.8° |
| C15 | C16 | C20 | C17 | 177.3° | 177.3° |
| C15 | C16 | C17 | C21 | 179.9° | 179.9° |
| C16 | C15 | C14 | C18 | 178.6° | 178.6° |
| C16 | C15 | C19 | H24 | 87.7° | 87.7° |
| C16 | C15 | C19 | H25 | 32.2° | 32.2° |
| C16 | C15 | C19 | H26 | 152.2° | 152.2° |
| C15 | C16 | C20 | H27 | 91.2° | 91.2° |
| C15 | C16 | C20 | H28 | 148.8° | 148.8° |
| C15 | C16 | C20 | H29 | 28.8° | 28.8° |
| C20 | C16 | C17 | C21 | 2.4° | 2.4° |
| C16 | C20 | H27 | H28 | 120.0° | 120.0° |
| C16 | C20 | H27 | H29 | 120.0° | 120.0° |
| C16 | C20 | H28 | H29 | 120.0° | 120.0° |
| C20 | C16 | RH | CL2 | 29.5° | 29.5° |
| C20 | C16 | RH | CL3 | 78.4° | 78.4° |
| C17 | C16 | C20 | H27 | 91.5° | 91.5° |
| C17 | C16 | C20 | H28 | 28.5° | 28.5° |
| C17 | C16 | C20 | H29 | 148.5° | 148.5° |
| C16 | C17 | C21 | H30 | 88.5° | 88.5° |
| C16 | C17 | C21 | H31 | 151.6° | 151.6° |
| C16 | C17 | C21 | H32 | 31.6° | 31.6° |
| C17 | C21 | H30 | H31 | 120.0° | 120.0° |
| C17 | C21 | H30 | H32 | 120.0° | 120.0° |
| C17 | C21 | H31 | H32 | 120.0° | 120.0° |
| C21 | C17 | RH | CL2 | 6.4° | 6.4° |
| C21 | C17 | RH | CL3 | 22.2° | 22.2° |
| C14 | C18 | H21 | H22 | 120.0° | 120.0° |
| C14 | C18 | H21 | H23 | 120.0° | 120.0° |
| C14 | C18 | H22 | H23 | 120.0° | 120.0° |
| C18 | C14 | RH | CL2 | 34.3° | 34.3° |
| C18 | C14 | RH | CL3 | 98.5° | 98.5° |
| H21 | C18 | H22 | H23 | 120.0° | 120.0° |
| H24 | C19 | H25 | H26 | 120.0° | 120.0° |
| H27 | C20 | H28 | H29 | 120.0° | 120.0° |
| H30 | C21 | H31 | H32 | 120.0° | 120.0° |
