EUS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O43 | C43 | sing | 1.43Å | 1.44Å | |
| N33 | C93 | sing | 1.47Å | 1.47Å | |
| N33 | C33 | sing | 1.47Å | 1.47Å | |
| C43 | C83 | sing | 1.53Å | 1.53Å | |
| C43 | C33 | sing | 1.53Å | 1.52Å | |
| C43 | C53 | sing | 1.53Å | 1.53Å | |
| C23 | C33 | sing | 1.53Å | 1.52Å | |
| C23 | O23 | sing | 1.43Å | 1.42Å | |
| C23 | C13 | sing | 1.53Å | 1.51Å | |
| C53 | O53 | sing | 1.43Å | 1.44Å | |
| O53 | C13 | sing | 1.43Å | 1.44Å | |
| C13 | O62 | sing | 1.43Å | 1.43Å | |
| C6 | S | sing | 1.81Å | 1.78Å | |
| O62 | C62 | sing | 1.43Å | 1.42Å | |
| N12 | S | sing | 1.66Å | 1.66Å | |
| N12 | C12 | sing | 1.47Å | 1.47Å | |
| C62 | C12 | sing | 1.53Å | 1.52Å | |
| C62 | C52 | sing | 1.53Å | 1.52Å | |
| S | O2 | doub | 1.42Å | 1.53Å | |
| S | O1 | doub | 1.42Å | 1.53Å | |
| O52 | C52 | sing | 1.43Å | 1.44Å | |
| C12 | C22 | sing | 1.53Å | 1.52Å | |
| C52 | C42 | sing | 1.53Å | 1.53Å | |
| C22 | C32 | sing | 1.53Å | 1.52Å | |
| C42 | C32 | sing | 1.53Å | 1.52Å | |
| C42 | O11 | sing | 1.43Å | 1.42Å | |
| C32 | N32 | sing | 1.47Å | 1.47Å | |
| C11 | O11 | sing | 1.43Å | 1.43Å | |
| C11 | O51 | sing | 1.43Å | 1.45Å | |
| C11 | C21 | sing | 1.54Å | 1.50Å | |
| N21 | C21 | sing | 1.47Å | 1.47Å | |
| O51 | C51 | sing | 1.35Å | 1.37Å | |
| C21 | C31 | sing | 1.53Å | 1.52Å | |
| C51 | C61 | sing | 1.51Å | 1.40Å | |
| C51 | C41 | doub | 1.31Å | 1.39Å | |
| C31 | C41 | sing | 1.50Å | 1.40Å | |
| N61 | C61 | sing | 1.47Å | 1.47Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C31 | H11 | sing | 1.09Å | 1.10Å | |
| C31 | H12 | sing | 1.09Å | 1.10Å | |
| C32 | H13 | sing | 1.09Å | 1.10Å | |
| C33 | H14 | sing | 1.09Å | 1.10Å | |
| C41 | H15 | sing | 1.08Å | 1.08Å | |
| C42 | H16 | sing | 1.09Å | 1.10Å | |
| C52 | H17 | sing | 1.09Å | 1.10Å | |
| C53 | H18 | sing | 1.09Å | 1.10Å | |
| C53 | H19 | sing | 1.09Å | 1.10Å | |
| C61 | H20 | sing | 1.09Å | 1.10Å | |
| C61 | H21 | sing | 1.09Å | 1.10Å | |
| C62 | H22 | sing | 1.09Å | 1.10Å | |
| C83 | H23 | sing | 1.09Å | 1.10Å | |
| C83 | H24 | sing | 1.09Å | 1.10Å | |
| C83 | H25 | sing | 1.09Å | 1.10Å | |
| C93 | H26 | sing | 1.09Å | 1.10Å | |
| C93 | H27 | sing | 1.09Å | 1.10Å | |
| C93 | H28 | sing | 1.09Å | 1.10Å | |
| N12 | H29 | sing | 0.97Å | 1.00Å | |
| N21 | H30 | sing | 1.01Å | 1.00Å | |
| N21 | H31 | sing | 1.01Å | 1.00Å | |
| N32 | H33 | sing | 1.01Å | 1.00Å | |
| N32 | H34 | sing | 1.01Å | 1.00Å | |
| N33 | H36 | sing | 1.01Å | 1.00Å | |
| N61 | H38 | sing | 1.01Å | 1.00Å | |
| N61 | H39 | sing | 1.01Å | 1.00Å | |
| O23 | H41 | sing | 0.97Å | 0.95Å | |
| O43 | H42 | sing | 0.97Å | 0.95Å | |
| O52 | H43 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O43 | C43 | C83 | 109.3° | 109.5° |
| O43 | C43 | C33 | 109.5° | 109.5° |
| O43 | C43 | C53 | 110.5° | 109.6° |
| C43 | O43 | H42 | 109.5° | 114.0° |
| C93 | N33 | C33 | 110.6° | 111.0° |
| N33 | C93 | H26 | 109.5° | 109.5° |
| N33 | C93 | H27 | 109.5° | 109.5° |
| N33 | C93 | H28 | 109.5° | 109.4° |
| C93 | N33 | H36 | 109.2° | 110.9° |
| N33 | C33 | C43 | 111.5° | 109.6° |
| N33 | C33 | C23 | 111.9° | 109.6° |
| N33 | C33 | H14 | 109.0° | 109.5° |
| C33 | N33 | H36 | 109.2° | 111.1° |
| C83 | C43 | C33 | 109.9° | 109.5° |
| C83 | C43 | C53 | 109.3° | 109.6° |
| C43 | C83 | H23 | 109.5° | 109.6° |
| C43 | C83 | H24 | 109.5° | 109.4° |
| C43 | C83 | H25 | 109.5° | 109.4° |
| C33 | C43 | C53 | 108.4° | 109.2° |
| C43 | C33 | C23 | 107.7° | 109.0° |
| C43 | C33 | H14 | 108.3° | 109.5° |
| C43 | C53 | O53 | 111.0° | 109.5° |
| C43 | C53 | H18 | 109.1° | 109.5° |
| C43 | C53 | H19 | 109.1° | 109.5° |
| C33 | C23 | O23 | 109.8° | 109.5° |
| C33 | C23 | C13 | 107.6° | 109.2° |
| C33 | C23 | H10 | 109.8° | 109.6° |
| C23 | C33 | H14 | 108.4° | 109.6° |
| O23 | C23 | C13 | 108.4° | 109.5° |
| O23 | C23 | H10 | 111.1° | 109.5° |
| C23 | O23 | H41 | 109.5° | 114.0° |
| C23 | C13 | O53 | 110.2° | 109.4° |
| C23 | C13 | O62 | 107.2° | 109.5° |
| C23 | C13 | H6 | 109.2° | 109.5° |
| C13 | C23 | H10 | 109.9° | 109.5° |
| C53 | O53 | C13 | 111.6° | 114.1° |
| O53 | C53 | H18 | 109.1° | 109.4° |
| O53 | C53 | H19 | 109.1° | 109.5° |
| O53 | C13 | O62 | 109.8° | 109.5° |
| O53 | C13 | H6 | 110.1° | 109.5° |
| C13 | O62 | C62 | 112.6° | 114.0° |
| O62 | C13 | H6 | 110.3° | 109.5° |
| C6 | S | N12 | 110.3° | 104.5° |
| C6 | S | O2 | 109.2° | 110.5° |
| C6 | S | O1 | 108.2° | 110.6° |
| S | C6 | H1 | 109.5° | 109.5° |
| S | C6 | H2 | 109.5° | 109.5° |
| S | C6 | H3 | 109.5° | 109.5° |
| O62 | C62 | C12 | 108.9° | 109.5° |
| O62 | C62 | C52 | 107.9° | 109.5° |
| O62 | C62 | H22 | 111.3° | 109.5° |
| S | N12 | C12 | 110.1° | 120.0° |
| N12 | S | O2 | 108.6° | 104.2° |
| N12 | S | O1 | 110.8° | 104.2° |
| S | N12 | H29 | 109.3° | 120.0° |
| N12 | C12 | C62 | 111.8° | 109.4° |
| N12 | C12 | C22 | 111.1° | 109.5° |
| N12 | C12 | H5 | 108.6° | 109.5° |
| C12 | N12 | H29 | 109.3° | 120.0° |
| C12 | C62 | C52 | 109.0° | 109.5° |
| C62 | C12 | C22 | 109.0° | 109.5° |
| C62 | C12 | H5 | 108.0° | 109.4° |
| C12 | C62 | H22 | 109.8° | 109.4° |
| C62 | C52 | O52 | 109.0° | 109.5° |
| C62 | C52 | C42 | 110.2° | 109.5° |
| C62 | C52 | H17 | 108.4° | 109.5° |
| C52 | C62 | H22 | 109.9° | 109.5° |
| O2 | S | O1 | 109.7° | 121.0° |
| O52 | C52 | C42 | 111.4° | 109.5° |
| O52 | C52 | H17 | 109.4° | 109.4° |
| C52 | O52 | H43 | 109.5° | 114.0° |
| C12 | C22 | C32 | 109.4° | 109.5° |
| C22 | C12 | H5 | 108.1° | 109.5° |
| C12 | C22 | H8 | 109.5° | 109.5° |
| C12 | C22 | H9 | 109.5° | 109.5° |
| C52 | C42 | C32 | 109.5° | 109.4° |
| C52 | C42 | O11 | 109.9° | 109.5° |
| C52 | C42 | H16 | 109.6° | 109.5° |
| C42 | C52 | H17 | 108.2° | 109.4° |
| C22 | C32 | C42 | 110.2° | 109.5° |
| C22 | C32 | N32 | 110.7° | 109.5° |
| C32 | C22 | H8 | 109.5° | 109.5° |
| C32 | C22 | H9 | 109.5° | 109.4° |
| C22 | C32 | H13 | 108.1° | 109.5° |
| C32 | C42 | O11 | 107.0° | 109.5° |
| C42 | C32 | N32 | 110.9° | 109.5° |
| C42 | C32 | H13 | 108.1° | 109.4° |
| C32 | C42 | H16 | 109.7° | 109.4° |
| C42 | O11 | C11 | 113.6° | 114.0° |
| O11 | C42 | H16 | 111.1° | 109.5° |
| N32 | C32 | H13 | 108.7° | 109.4° |
| C32 | N32 | H33 | 109.5° | 111.0° |
| C32 | N32 | H34 | 109.4° | 111.0° |
| O11 | C11 | O51 | 112.2° | 109.7° |
| O11 | C11 | C21 | 106.3° | 109.7° |
| O11 | C11 | H4 | 109.9° | 109.7° |
| O51 | C11 | C21 | 109.9° | 108.2° |
| C11 | O51 | C51 | 114.9° | 117.7° |
| O51 | C11 | H4 | 109.6° | 109.7° |
| C11 | C21 | N21 | 111.3° | 109.7° |
| C11 | C21 | C31 | 106.6° | 108.1° |
| C21 | C11 | H4 | 108.9° | 109.8° |
| C11 | C21 | H7 | 109.2° | 109.7° |
| N21 | C21 | C31 | 111.2° | 109.7° |
| N21 | C21 | H7 | 109.6° | 109.8° |
| C21 | N21 | H30 | 109.5° | 111.0° |
| C21 | N21 | H31 | 109.5° | 111.0° |
| O51 | C51 | C61 | 115.7° | 118.3° |
| O51 | C51 | C41 | 122.9° | 123.3° |
| C21 | C31 | C41 | 109.7° | 109.4° |
| C31 | C21 | H7 | 109.0° | 109.7° |
| C21 | C31 | H11 | 109.4° | 109.4° |
| C21 | C31 | H12 | 109.4° | 109.5° |
| C61 | C51 | C41 | 121.3° | 118.4° |
| C51 | C61 | N61 | 111.7° | 109.5° |
| C51 | C61 | H20 | 108.9° | 109.5° |
| C51 | C61 | H21 | 108.9° | 109.4° |
| C51 | C41 | C31 | 121.4° | 122.5° |
| C51 | C41 | H15 | 119.3° | 118.7° |
| C41 | C31 | H11 | 109.4° | 109.5° |
| C41 | C31 | H12 | 109.4° | 109.5° |
| C31 | C41 | H15 | 119.3° | 118.7° |
| N61 | C61 | H20 | 108.9° | 109.5° |
| N61 | C61 | H21 | 108.9° | 109.5° |
| C61 | N61 | H38 | 109.5° | 111.0° |
| C61 | N61 | H39 | 109.5° | 111.0° |
| H1 | C6 | H2 | 109.5° | 109.4° |
| H1 | C6 | H3 | 109.5° | 109.5° |
| H2 | C6 | H3 | 109.4° | 109.5° |
| H8 | C22 | H9 | 109.5° | 109.4° |
| H11 | C31 | H12 | 109.4° | 109.4° |
| H18 | C53 | H19 | 109.4° | 109.4° |
| H20 | C61 | H21 | 109.5° | 109.5° |
| H23 | C83 | H24 | 109.5° | 109.5° |
| H23 | C83 | H25 | 109.4° | 109.5° |
| H24 | C83 | H25 | 109.5° | 109.4° |
| H26 | C93 | H27 | 109.5° | 109.5° |
| H26 | C93 | H28 | 109.5° | 109.4° |
| H27 | C93 | H28 | 109.5° | 109.5° |
| H30 | N21 | H31 | 109.4° | 111.0° |
| H33 | N32 | H34 | 109.5° | 111.0° |
| H38 | N61 | H39 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O43 | C43 | C33 | N33 | 62.2° | 56.9° |
| O43 | C43 | C83 | C33 | 120.1° | 120.1° |
| O43 | C43 | C83 | C53 | 121.0° | 120.2° |
| O43 | C43 | C33 | C53 | 120.6° | 120.0° |
| O43 | C43 | C33 | C23 | 60.9° | 63.0° |
| O43 | C43 | C53 | O53 | 62.5° | 62.3° |
| O43 | C43 | C33 | H14 | 177.9° | 177.1° |
| O43 | C43 | C53 | H18 | 177.3° | 177.7° |
| O43 | C43 | C53 | H19 | 57.8° | 57.7° |
| O43 | C43 | C83 | H23 | 180.0° | 60.1° |
| O43 | C43 | C83 | H24 | 60.0° | 60.0° |
| O43 | C43 | C83 | H25 | 60.0° | 179.9° |
| C93 | N33 | C33 | H36 | 120.1° | 123.9° |
| C93 | N33 | C33 | C43 | 137.6° | 155.4° |
| C93 | N33 | C33 | C23 | 101.7° | 85.0° |
| C93 | N33 | C33 | H14 | 18.1° | 35.3° |
| N33 | C93 | H26 | H27 | 120.0° | 120.1° |
| N33 | C93 | H26 | H28 | 120.0° | 119.9° |
| N33 | C93 | H27 | H28 | 120.0° | 120.0° |
| N33 | C33 | C43 | C83 | 57.8° | 63.1° |
| N33 | C33 | C43 | C23 | 123.2° | 119.9° |
| N33 | C33 | C43 | H14 | 119.8° | 120.2° |
| N33 | C33 | C43 | C53 | 177.2° | 176.9° |
| N33 | C33 | C23 | H14 | 120.2° | 120.3° |
| N33 | C33 | C23 | O23 | 57.1° | 63.2° |
| N33 | C33 | C23 | C13 | 175.0° | 176.9° |
| N33 | C33 | C23 | H10 | 65.4° | 57.0° |
| C33 | N33 | C93 | H26 | 180.0° | 60.0° |
| C33 | N33 | C93 | H27 | 60.0° | 180.0° |
| C33 | N33 | C93 | H28 | 60.0° | 60.0° |
| C83 | C43 | C33 | C53 | 119.4° | 120.0° |
| C83 | C43 | C33 | C23 | 179.1° | 176.9° |
| C83 | C43 | C53 | O53 | 177.3° | 177.5° |
| C83 | C43 | C33 | H14 | 62.1° | 57.0° |
| C83 | C43 | C53 | H18 | 57.0° | 57.6° |
| C83 | C43 | C53 | H19 | 62.5° | 62.4° |
| C43 | C83 | H23 | H24 | 120.0° | 120.0° |
| C43 | C83 | H23 | H25 | 120.0° | 120.0° |
| C43 | C83 | H24 | H25 | 120.0° | 119.9° |
| C83 | C43 | O43 | H42 | 180.0° | 60.0° |
| C43 | C33 | C23 | H14 | 117.0° | 119.8° |
| C43 | C33 | C23 | O23 | 180.0° | 176.9° |
| C43 | C33 | C23 | C13 | 62.1° | 57.0° |
| C33 | C43 | C53 | O53 | 57.4° | 57.6° |
| C43 | C33 | C23 | H10 | 57.5° | 63.0° |
| C33 | C43 | C53 | H18 | 62.8° | 62.4° |
| C33 | C43 | C53 | H19 | 177.7° | 177.6° |
| C33 | C43 | C83 | H23 | 59.9° | 59.9° |
| C33 | C43 | C83 | H24 | 60.1° | 180.0° |
| C33 | C43 | C83 | H25 | 179.9° | 60.1° |
| C43 | C33 | N33 | H36 | 17.4° | 31.5° |
| C33 | C43 | O43 | H42 | 59.5° | 179.9° |
| C53 | C43 | C33 | C23 | 59.7° | 57.0° |
| C43 | C53 | O53 | H18 | 120.2° | 120.0° |
| C43 | C53 | O53 | H19 | 120.2° | 120.1° |
| C43 | C53 | O53 | C13 | 57.9° | 61.1° |
| C53 | C43 | C33 | H14 | 57.4° | 63.0° |
| C43 | C53 | H18 | H19 | 119.3° | 120.1° |
| C53 | C43 | C83 | H23 | 59.0° | 179.7° |
| C53 | C43 | C83 | H24 | 179.0° | 60.2° |
| C53 | C43 | C83 | H25 | 61.0° | 59.7° |
| C53 | C43 | O43 | H42 | 59.8° | 60.2° |
| C33 | C23 | O23 | C13 | 117.3° | 119.7° |
| C33 | C23 | O23 | H10 | 121.7° | 120.2° |
| C33 | C23 | C13 | H10 | 119.6° | 120.0° |
| C33 | C23 | C13 | O53 | 62.4° | 57.6° |
| C33 | C23 | C13 | O62 | 57.1° | 62.3° |
| C33 | C23 | C13 | H6 | 176.5° | 177.6° |
| C23 | C33 | N33 | H36 | 138.2° | 151.1° |
| C33 | C23 | O23 | H41 | 180.0° | 180.0° |
| O23 | C23 | C13 | H10 | 121.7° | 120.1° |
| O23 | C23 | C13 | O53 | 178.8° | 177.5° |
| O23 | C23 | C13 | O62 | 61.7° | 57.6° |
| O23 | C23 | C13 | H6 | 57.8° | 62.5° |
| O23 | C23 | C33 | H14 | 63.0° | 57.1° |
| C23 | C13 | O53 | C53 | 60.6° | 61.1° |
| C23 | C13 | O53 | O62 | 117.9° | 119.9° |
| C23 | C13 | O53 | H6 | 120.5° | 120.0° |
| C23 | C13 | O62 | H6 | 118.7° | 120.0° |
| C23 | C13 | O62 | C62 | 157.7° | 170.0° |
| C13 | C23 | C33 | H14 | 54.8° | 62.8° |
| C13 | C23 | O23 | H41 | 62.6° | 60.3° |
| C53 | O53 | C13 | O62 | 57.3° | 58.9° |
| C53 | O53 | C13 | H6 | 178.9° | 178.9° |
| O53 | C53 | H18 | H19 | 119.3° | 119.9° |
| O53 | C13 | O62 | H6 | 121.5° | 120.1° |
| O53 | C13 | O62 | C62 | 82.5° | 70.1° |
| O53 | C13 | C23 | H10 | 57.1° | 62.4° |
| C13 | O53 | C53 | H18 | 62.3° | 58.9° |
| C13 | O53 | C53 | H19 | 178.2° | 178.8° |
| C13 | O62 | C62 | C12 | 105.4° | 150.0° |
| C13 | O62 | C62 | C52 | 136.5° | 90.0° |
| O62 | C13 | C23 | H10 | 176.6° | 177.7° |
| C13 | O62 | C62 | H22 | 15.8° | 30.0° |
| C6 | S | N12 | O2 | 119.6° | 116.0° |
| C6 | S | N12 | O1 | 119.8° | 116.1° |
| C6 | S | N12 | C12 | 151.7° | 64.9° |
| C6 | S | O2 | O1 | 118.5° | 131.6° |
| S | C6 | H1 | H2 | 120.0° | 120.0° |
| S | C6 | H1 | H3 | 120.0° | 120.1° |
| S | C6 | H2 | H3 | 120.0° | 120.1° |
| C6 | S | N12 | H29 | 31.7° | 114.9° |
| O62 | C62 | C12 | N12 | 57.9° | 60.0° |
| O62 | C62 | C12 | C52 | 117.5° | 120.0° |
| O62 | C62 | C12 | H22 | 122.1° | 120.0° |
| O62 | C62 | C52 | H22 | 121.5° | 120.0° |
| O62 | C62 | C52 | O52 | 59.3° | 60.0° |
| O62 | C62 | C12 | C22 | 178.7° | 180.0° |
| O62 | C62 | C52 | C42 | 178.0° | 180.0° |
| O62 | C62 | C12 | H5 | 61.5° | 60.0° |
| C62 | O62 | C13 | H6 | 39.0° | 50.0° |
| O62 | C62 | C52 | H17 | 59.7° | 60.0° |
| S | N12 | C12 | H29 | 120.1° | 179.9° |
| S | N12 | C12 | C62 | 165.1° | 145.0° |
| N12 | S | O2 | O1 | 121.2° | 116.7° |
| S | N12 | C12 | C22 | 72.7° | 94.9° |
| N12 | S | C6 | H1 | 180.0° | 60.0° |
| N12 | S | C6 | H2 | 60.0° | 179.9° |
| N12 | S | C6 | H3 | 60.0° | 60.0° |
| S | N12 | C12 | H5 | 46.0° | 25.1° |
| N12 | C12 | C62 | C22 | 123.3° | 120.0° |
| N12 | C12 | C62 | H5 | 119.5° | 119.9° |
| N12 | C12 | C62 | C52 | 175.4° | 180.0° |
| C12 | N12 | S | O2 | 32.1° | 51.1° |
| C12 | N12 | S | O1 | 88.5° | 178.9° |
| N12 | C12 | C22 | H5 | 119.1° | 120.0° |
| N12 | C12 | C22 | C32 | 174.9° | 180.0° |
| N12 | C12 | C22 | H8 | 65.1° | 60.0° |
| N12 | C12 | C22 | H9 | 55.0° | 60.0° |
| N12 | C12 | C62 | H22 | 64.2° | 60.1° |
| C12 | C62 | C52 | H22 | 120.4° | 119.9° |
| C12 | C62 | C52 | O52 | 177.4° | 180.0° |
| C62 | C12 | C22 | H5 | 117.2° | 120.0° |
| C12 | C62 | C52 | C42 | 59.9° | 60.0° |
| C62 | C12 | C22 | C32 | 61.3° | 60.0° |
| C62 | C12 | C22 | H8 | 58.7° | 60.0° |
| C62 | C12 | C22 | H9 | 178.7° | 180.0° |
| C12 | C62 | C52 | H17 | 58.4° | 60.0° |
| C62 | C12 | N12 | H29 | 45.0° | 35.1° |
| C62 | C52 | O52 | C42 | 121.9° | 120.0° |
| C62 | C52 | O52 | H17 | 118.4° | 120.0° |
| C52 | C62 | C12 | C22 | 61.3° | 60.0° |
| C62 | C52 | C42 | H17 | 118.4° | 120.1° |
| C62 | C52 | C42 | C32 | 58.2° | 60.0° |
| C62 | C52 | C42 | O11 | 175.4° | 180.0° |
| C52 | C62 | C12 | H5 | 55.9° | 60.0° |
| C62 | C52 | C42 | H16 | 62.2° | 60.0° |
| C62 | C52 | O52 | H43 | 180.0° | 175.3° |
| O2 | S | C6 | H1 | 60.8° | 171.6° |
| O2 | S | C6 | H2 | 179.2° | 68.5° |
| O2 | S | C6 | H3 | 59.3° | 51.6° |
| O2 | S | N12 | H29 | 88.0° | 129.0° |
| O1 | S | C6 | H1 | 58.7° | 51.6° |
| O1 | S | C6 | H2 | 61.3° | 68.3° |
| O1 | S | C6 | H3 | 178.7° | 171.6° |
| O1 | S | N12 | H29 | 151.5° | 1.2° |
| O52 | C52 | C42 | H17 | 120.4° | 119.9° |
| O52 | C52 | C42 | C32 | 179.4° | 180.0° |
| O52 | C52 | C42 | O11 | 63.4° | 60.0° |
| O52 | C52 | C42 | H16 | 59.0° | 60.1° |
| O52 | C52 | C62 | H22 | 62.2° | 60.0° |
| C12 | C22 | C32 | H8 | 120.0° | 120.0° |
| C12 | C22 | C32 | H9 | 120.0° | 120.0° |
| C12 | C22 | C32 | C42 | 60.0° | 60.0° |
| C12 | C22 | C32 | N32 | 177.0° | 180.0° |
| C12 | C22 | H8 | H9 | 120.0° | 120.0° |
| C12 | C22 | C32 | H13 | 58.0° | 60.0° |
| C22 | C12 | C62 | H22 | 59.1° | 60.0° |
| C22 | C12 | N12 | H29 | 167.2° | 84.9° |
| C52 | C42 | C32 | C22 | 58.0° | 60.0° |
| C52 | C42 | C32 | O11 | 119.0° | 120.0° |
| C52 | C42 | C32 | H16 | 120.3° | 120.0° |
| C52 | C42 | O11 | H16 | 121.5° | 120.0° |
| C52 | C42 | C32 | N32 | 179.1° | 180.0° |
| C52 | C42 | O11 | C11 | 88.3° | 100.0° |
| C52 | C42 | C32 | H13 | 60.0° | 60.1° |
| C42 | C52 | C62 | H22 | 60.4° | 60.0° |
| C42 | C52 | O52 | H43 | 58.1° | 64.7° |
| C22 | C32 | C42 | N32 | 122.9° | 120.0° |
| C22 | C32 | C42 | H13 | 118.0° | 120.0° |
| C22 | C32 | C42 | O11 | 177.0° | 180.0° |
| C22 | C32 | N32 | H13 | 118.7° | 120.0° |
| C32 | C22 | C12 | H5 | 55.8° | 60.0° |
| C32 | C22 | H8 | H9 | 120.0° | 119.9° |
| C22 | C32 | C42 | H16 | 62.3° | 60.0° |
| C22 | C32 | N32 | H33 | 180.0° | 60.0° |
| C22 | C32 | N32 | H34 | 60.0° | 176.1° |
| C32 | C42 | O11 | H16 | 119.8° | 120.0° |
| C42 | C32 | N32 | H13 | 118.7° | 119.9° |
| C32 | C42 | O11 | C11 | 153.0° | 140.0° |
| C42 | C32 | C22 | H8 | 60.0° | 60.0° |
| C42 | C32 | C22 | H9 | 180.0° | 180.0° |
| C32 | C42 | C52 | H17 | 60.2° | 60.1° |
| C42 | C32 | N32 | H33 | 57.4° | 180.0° |
| C42 | C32 | N32 | H34 | 62.7° | 56.0° |
| O11 | C42 | C32 | N32 | 60.0° | 60.0° |
| C42 | O11 | C11 | O51 | 78.2° | 71.3° |
| C42 | O11 | C11 | C21 | 161.6° | 170.0° |
| C42 | O11 | C11 | H4 | 43.9° | 49.3° |
| O11 | C42 | C32 | H13 | 59.1° | 60.0° |
| O11 | C42 | C52 | H17 | 57.0° | 60.0° |
| N32 | C32 | C22 | H8 | 63.0° | 60.0° |
| N32 | C32 | C22 | H9 | 57.0° | 60.0° |
| N32 | C32 | C42 | H16 | 60.6° | 60.0° |
| C32 | N32 | H33 | H34 | 120.0° | 124.0° |
| O11 | C11 | O51 | C21 | 118.1° | 119.7° |
| O11 | C11 | O51 | H4 | 122.3° | 120.6° |
| O11 | C11 | C21 | H4 | 118.3° | 120.7° |
| O11 | C11 | C21 | N21 | 65.2° | 62.4° |
| O11 | C11 | O51 | C51 | 76.3° | 167.3° |
| O11 | C11 | C21 | C31 | 56.2° | 177.9° |
| O11 | C11 | C21 | H7 | 173.7° | 58.3° |
| C11 | O11 | C42 | H16 | 33.2° | 20.0° |
| O51 | C11 | C21 | H4 | 120.1° | 119.7° |
| O51 | C11 | C21 | N21 | 173.2° | 57.3° |
| O51 | C11 | C21 | C31 | 65.4° | 62.4° |
| C11 | O51 | C51 | C61 | 173.2° | 163.3° |
| C11 | O51 | C51 | C41 | 9.3° | 16.7° |
| O51 | C11 | C21 | H7 | 52.1° | 177.9° |
| C11 | C21 | N21 | C31 | 118.6° | 118.7° |
| C11 | C21 | N21 | H7 | 120.9° | 120.7° |
| C21 | C11 | O51 | C51 | 41.8° | 47.6° |
| C11 | C21 | C31 | H7 | 117.7° | 119.7° |
| C11 | C21 | C31 | C41 | 56.3° | 46.9° |
| C11 | C21 | C31 | H11 | 63.8° | 166.9° |
| C11 | C21 | C31 | H12 | 176.3° | 73.2° |
| C11 | C21 | N21 | H30 | 180.0° | 179.9° |
| C11 | C21 | N21 | H31 | 60.0° | 56.1° |
| N21 | C21 | C31 | H7 | 120.9° | 120.7° |
| N21 | C21 | C31 | C41 | 177.7° | 72.8° |
| N21 | C21 | C11 | H4 | 53.1° | 176.9° |
| N21 | C21 | C31 | H11 | 57.6° | 47.2° |
| N21 | C21 | C31 | H12 | 62.3° | 167.2° |
| C21 | N21 | H30 | H31 | 120.0° | 124.0° |
| O51 | C51 | C61 | C41 | 177.5° | 180.0° |
| O51 | C51 | C41 | C31 | 1.5° | 0.5° |
| O51 | C51 | C61 | N61 | 81.2° | 65.0° |
| C51 | O51 | C11 | H4 | 161.4° | 72.1° |
| O51 | C51 | C41 | H15 | 178.5° | 179.6° |
| O51 | C51 | C61 | H20 | 158.5° | 55.0° |
| O51 | C51 | C61 | H21 | 39.2° | 175.0° |
| C21 | C31 | C41 | C51 | 26.1° | 17.5° |
| C21 | C31 | C41 | H11 | 120.1° | 120.0° |
| C21 | C31 | C41 | H12 | 120.0° | 120.0° |
| C31 | C21 | C11 | H4 | 174.5° | 57.3° |
| C21 | C31 | H11 | H12 | 119.9° | 119.9° |
| C21 | C31 | C41 | H15 | 153.9° | 162.5° |
| C31 | C21 | N21 | H30 | 61.4° | 61.4° |
| C31 | C21 | N21 | H31 | 58.6° | 62.6° |
| C61 | C51 | C41 | C31 | 178.8° | 179.5° |
| C51 | C61 | N61 | H20 | 120.3° | 120.0° |
| C51 | C61 | N61 | H21 | 120.3° | 120.0° |
| C61 | C51 | C41 | H15 | 1.2° | 0.4° |
| C51 | C61 | H20 | H21 | 119.0° | 120.0° |
| C51 | C61 | N61 | H38 | 180.0° | 56.1° |
| C51 | C61 | N61 | H39 | 60.0° | 180.0° |
| C51 | C41 | C31 | H15 | 180.0° | 180.0° |
| C41 | C51 | C61 | N61 | 101.3° | 115.0° |
| C51 | C41 | C31 | H11 | 94.0° | 137.5° |
| C51 | C41 | C31 | H12 | 146.1° | 102.5° |
| C41 | C51 | C61 | H20 | 19.0° | 125.0° |
| C41 | C51 | C61 | H21 | 138.4° | 5.0° |
| C41 | C31 | C21 | H7 | 61.4° | 166.5° |
| C41 | C31 | H11 | H12 | 119.9° | 120.1° |
| N61 | C61 | H20 | H21 | 119.0° | 120.0° |
| C61 | N61 | H38 | H39 | 120.0° | 124.0° |
| H1 | C6 | H2 | H3 | 120.0° | 119.9° |
| H4 | C11 | C21 | H7 | 67.9° | 62.4° |
| H5 | C12 | C22 | H8 | 175.8° | 180.0° |
| H5 | C12 | C22 | H9 | 64.1° | 60.0° |
| H5 | C12 | C62 | H22 | 176.3° | 180.0° |
| H5 | C12 | N12 | H29 | 74.1° | 155.0° |
| H6 | C13 | C23 | H10 | 63.9° | 57.7° |
| H7 | C21 | C31 | H11 | 178.5° | 73.5° |
| H7 | C21 | C31 | H12 | 58.6° | 46.5° |
| H7 | C21 | N21 | H30 | 59.1° | 59.3° |
| H7 | C21 | N21 | H31 | 179.1° | 176.7° |
| H8 | C22 | C32 | H13 | 177.9° | 180.0° |
| H9 | C22 | C32 | H13 | 62.0° | 60.0° |
| H10 | C23 | C33 | H14 | 174.5° | 177.2° |
| H10 | C23 | O23 | H41 | 58.3° | 59.8° |
| H11 | C31 | C41 | H15 | 86.0° | 42.5° |
| H12 | C31 | C41 | H15 | 33.9° | 77.5° |
| H13 | C32 | C42 | H16 | 179.7° | 180.0° |
| H13 | C32 | N32 | H33 | 61.3° | 60.0° |
| H13 | C32 | N32 | H34 | 178.6° | 63.9° |
| H14 | C33 | N33 | H36 | 102.0° | 88.6° |
| H16 | C42 | C52 | H17 | 179.4° | 180.0° |
| H17 | C52 | C62 | H22 | 178.7° | 180.0° |
| H17 | C52 | O52 | H43 | 61.5° | 55.2° |
| H20 | C61 | N61 | H38 | 59.6° | 64.0° |
| H20 | C61 | N61 | H39 | 179.6° | 60.0° |
| H21 | C61 | N61 | H38 | 59.7° | 176.0° |
| H21 | C61 | N61 | H39 | 60.3° | 60.0° |
| H23 | C83 | H24 | H25 | 119.9° | 120.0° |
| H26 | C93 | H27 | H28 | 120.0° | 120.0° |
| H26 | C93 | N33 | H36 | 59.9° | 176.1° |
| H27 | C93 | N33 | H36 | 60.2° | 56.0° |
| H28 | C93 | N33 | H36 | 179.9° | 64.0° |
