SD6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C06 | sing | 1.53Å | 1.52Å | |
| C30 | C29 | sing | 1.53Å | 1.52Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C29 | C28 | sing | 1.53Å | 1.51Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C32 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C26 | C25 | sing | 1.53Å | 1.51Å | |
| C05 | C04 | sing | 1.53Å | 1.52Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C25 | C33 | sing | 1.53Å | 1.52Å | |
| N03 | C04 | sing | 1.46Å | 1.47Å | |
| N03 | C02 | sing | 1.35Å | 1.37Å | |
| C04 | C09 | sing | 1.51Å | 1.53Å | |
| O22 | C02 | sing | 1.35Å | 1.33Å | |
| O22 | C23 | sing | 1.45Å | 1.42Å | |
| C24 | C33 | sing | 1.53Å | 1.51Å | |
| C24 | C23 | sing | 1.53Å | 1.49Å | |
| C02 | O01 | doub | 1.22Å | 1.22Å | |
| C09 | O21 | doub | 1.21Å | 1.26Å | |
| C09 | N10 | sing | 1.35Å | 1.36Å | |
| N10 | C11 | sing | 1.46Å | 1.43Å | |
| O20 | C19 | sing | 1.43Å | 1.40Å | |
| S1 | C19 | sing | 1.81Å | 1.79Å | |
| C11 | C19 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | C17 | sing | 1.55Å | 1.54Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C17 | C16 | sing | 1.54Å | 1.53Å | |
| C14 | O18 | doub | 1.21Å | 1.23Å | |
| C14 | N15 | sing | 1.34Å | 1.37Å | |
| C16 | N15 | sing | 1.47Å | 1.46Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C06 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| C07 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.09Å | 1.10Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| C08 | H19 | sing | 1.09Å | 1.10Å | |
| C08 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| C32 | H37 | sing | 1.09Å | 1.10Å | |
| C33 | H38 | sing | 1.09Å | 1.10Å | |
| C33 | H39 | sing | 1.09Å | 1.10Å | |
| N03 | H40 | sing | 0.97Å | 1.00Å | |
| N10 | H41 | sing | 0.97Å | 1.00Å | |
| N15 | H42 | sing | 0.97Å | 1.00Å | |
| O20 | H43 | sing | 0.97Å | 0.95Å | |
| S1 | O1 | doub | 1.42Å | 34.74Å | |
| S1 | O2 | sing | 1.52Å | 34.74Å | |
| S1 | O3 | sing | 1.52Å | 34.74Å | |
| O2 | H1 | sing | 0.97Å | 0.00Å | |
| O3 | H44 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | C06 | C07 | 107.6° | 109.5° |
| C08 | C06 | C05 | 112.5° | 109.5° |
| C08 | C06 | H14 | 108.3° | 109.4° |
| C06 | C08 | H18 | 109.5° | 109.4° |
| C06 | C08 | H19 | 109.5° | 109.5° |
| C06 | C08 | H20 | 109.5° | 109.4° |
| C29 | C30 | C31 | 110.5° | 109.5° |
| C30 | C29 | C28 | 111.3° | 109.4° |
| C30 | C29 | H30 | 109.0° | 109.4° |
| C30 | C29 | H31 | 109.0° | 109.5° |
| C29 | C30 | H32 | 109.2° | 109.5° |
| C29 | C30 | H33 | 109.2° | 109.5° |
| C30 | C31 | C32 | 111.5° | 109.5° |
| C31 | C30 | H32 | 109.2° | 109.5° |
| C31 | C30 | H33 | 109.2° | 109.4° |
| C30 | C31 | H34 | 109.0° | 109.5° |
| C30 | C31 | H35 | 109.0° | 109.5° |
| C29 | C28 | C27 | 111.8° | 109.5° |
| C29 | C28 | H28 | 108.9° | 109.4° |
| C29 | C28 | H29 | 108.9° | 109.4° |
| C28 | C29 | H30 | 109.0° | 109.5° |
| C28 | C29 | H31 | 109.0° | 109.5° |
| C28 | C27 | C32 | 108.2° | 109.4° |
| C28 | C27 | C26 | 115.0° | 109.5° |
| C28 | C27 | H27 | 107.4° | 109.6° |
| C27 | C28 | H28 | 108.9° | 109.5° |
| C27 | C28 | H29 | 108.9° | 109.5° |
| C07 | C06 | C05 | 111.7° | 109.5° |
| C07 | C06 | H14 | 108.3° | 109.5° |
| C06 | C07 | H15 | 109.5° | 109.4° |
| C06 | C07 | H16 | 109.5° | 109.5° |
| C06 | C07 | H17 | 109.5° | 109.5° |
| C06 | C05 | C04 | 113.1° | 109.5° |
| C06 | C05 | H12 | 108.5° | 109.5° |
| C06 | C05 | H13 | 108.5° | 109.5° |
| C05 | C06 | H14 | 108.2° | 109.4° |
| C31 | C32 | C27 | 112.4° | 109.4° |
| C32 | C31 | H34 | 108.9° | 109.5° |
| C32 | C31 | H35 | 108.9° | 109.5° |
| C31 | C32 | H36 | 108.7° | 109.5° |
| C31 | C32 | H37 | 108.7° | 109.5° |
| C32 | C27 | C26 | 111.1° | 109.4° |
| C32 | C27 | H27 | 107.4° | 109.4° |
| C27 | C32 | H36 | 108.7° | 109.4° |
| C27 | C32 | H37 | 108.7° | 109.5° |
| C27 | C26 | C25 | 115.4° | 109.5° |
| C27 | C26 | H25 | 108.0° | 109.4° |
| C27 | C26 | H26 | 107.9° | 109.5° |
| C26 | C27 | H27 | 107.5° | 109.5° |
| C26 | C25 | C24 | 119.3° | 117.5° |
| C26 | C25 | C33 | 122.2° | 117.5° |
| C26 | C25 | H24 | 115.1° | 115.5° |
| C25 | C26 | H25 | 107.9° | 109.5° |
| C25 | C26 | H26 | 108.0° | 109.5° |
| C05 | C04 | N03 | 109.5° | 109.5° |
| C05 | C04 | C09 | 110.8° | 109.5° |
| C05 | C04 | H11 | 109.7° | 109.5° |
| C04 | C05 | H12 | 108.6° | 109.5° |
| C04 | C05 | H13 | 108.6° | 109.5° |
| C24 | C25 | C33 | 59.3° | 60.0° |
| C25 | C24 | C33 | 59.8° | 60.0° |
| C25 | C24 | C23 | 119.3° | 117.5° |
| C25 | C24 | H23 | 114.3° | 117.5° |
| C24 | C25 | H24 | 114.6° | 117.5° |
| C25 | C33 | C24 | 60.9° | 60.0° |
| C33 | C25 | H24 | 114.9° | 117.5° |
| C25 | C33 | H38 | 119.8° | 117.5° |
| C25 | C33 | H39 | 119.9° | 117.5° |
| C04 | N03 | C02 | 118.0° | 120.0° |
| N03 | C04 | C09 | 106.8° | 109.5° |
| N03 | C04 | H11 | 110.5° | 109.5° |
| C04 | N03 | H40 | 121.0° | 120.0° |
| N03 | C02 | O22 | 109.6° | 120.0° |
| N03 | C02 | O01 | 127.9° | 120.0° |
| C02 | N03 | H40 | 121.0° | 120.0° |
| C04 | C09 | O21 | 121.1° | 120.0° |
| C04 | C09 | N10 | 119.0° | 120.0° |
| C09 | C04 | H11 | 109.6° | 109.5° |
| C02 | O22 | C23 | 117.2° | 117.0° |
| O22 | C02 | O01 | 122.6° | 120.0° |
| O22 | C23 | C24 | 113.6° | 109.5° |
| O22 | C23 | H21 | 108.4° | 109.5° |
| O22 | C23 | H22 | 108.4° | 109.5° |
| C33 | C24 | C23 | 122.2° | 117.5° |
| C33 | C24 | H23 | 114.8° | 117.4° |
| C24 | C33 | H38 | 119.9° | 117.5° |
| C24 | C33 | H39 | 119.8° | 117.5° |
| C24 | C23 | H21 | 108.4° | 109.4° |
| C24 | C23 | H22 | 108.4° | 109.5° |
| C23 | C24 | H23 | 115.1° | 115.5° |
| O21 | C09 | N10 | 119.9° | 120.0° |
| C09 | N10 | C11 | 124.3° | 120.0° |
| C09 | N10 | H41 | 117.9° | 120.0° |
| N10 | C11 | C19 | 109.9° | 109.5° |
| N10 | C11 | C12 | 108.4° | 109.5° |
| N10 | C11 | H10 | 110.2° | 109.5° |
| C11 | N10 | H41 | 117.9° | 120.0° |
| O20 | C19 | S1 | 107.8° | 109.5° |
| O20 | C19 | C11 | 107.7° | 109.4° |
| O20 | C19 | H6 | 113.7° | 109.5° |
| C19 | O20 | H43 | 109.5° | 114.0° |
| S1 | C19 | C11 | 107.7° | 109.5° |
| S1 | C19 | H6 | 108.3° | 109.5° |
| C19 | S1 | O1 | 122.2° | 114.6° |
| C19 | S1 | O2 | 122.2° | 108.3° |
| C19 | S1 | O3 | 122.2° | 108.4° |
| C19 | C11 | C12 | 110.8° | 109.5° |
| C11 | C19 | H6 | 111.5° | 109.5° |
| C19 | C11 | H10 | 108.8° | 109.5° |
| C11 | C12 | C13 | 112.5° | 109.5° |
| C11 | C12 | H8 | 108.7° | 109.5° |
| C11 | C12 | H9 | 108.7° | 109.5° |
| C12 | C11 | H10 | 108.7° | 109.4° |
| C12 | C13 | C17 | 115.2° | 110.5° |
| C12 | C13 | C14 | 112.7° | 110.5° |
| C12 | C13 | H7 | 108.5° | 110.4° |
| C13 | C12 | H8 | 108.7° | 109.5° |
| C13 | C12 | H9 | 108.7° | 109.5° |
| C17 | C13 | C14 | 103.3° | 104.2° |
| C13 | C17 | C16 | 106.7° | 101.8° |
| C13 | C17 | H4 | 110.2° | 111.0° |
| C13 | C17 | H5 | 110.2° | 111.0° |
| C17 | C13 | H7 | 108.3° | 110.6° |
| C13 | C14 | O18 | 128.1° | 124.9° |
| C13 | C14 | N15 | 110.6° | 110.1° |
| C14 | C13 | H7 | 108.6° | 110.5° |
| C17 | C16 | N15 | 104.7° | 105.4° |
| C17 | C16 | H2 | 110.6° | 110.4° |
| C17 | C16 | H3 | 110.6° | 110.2° |
| C16 | C17 | H4 | 110.2° | 110.9° |
| C16 | C17 | H5 | 110.1° | 110.9° |
| O18 | C14 | N15 | 121.3° | 124.9° |
| C14 | N15 | C16 | 112.6° | 111.3° |
| C14 | N15 | H42 | 123.7° | 124.4° |
| N15 | C16 | H2 | 110.7° | 110.2° |
| N15 | C16 | H3 | 110.7° | 110.2° |
| C16 | N15 | H42 | 123.7° | 124.4° |
| H2 | C16 | H3 | 109.5° | 110.3° |
| H4 | C17 | H5 | 109.5° | 110.9° |
| H8 | C12 | H9 | 109.5° | 109.4° |
| H12 | C05 | H13 | 109.5° | 109.5° |
| H15 | C07 | H16 | 109.5° | 109.5° |
| H15 | C07 | H17 | 109.5° | 109.5° |
| H16 | C07 | H17 | 109.4° | 109.5° |
| H18 | C08 | H19 | 109.4° | 109.5° |
| H18 | C08 | H20 | 109.5° | 109.5° |
| H19 | C08 | H20 | 109.5° | 109.5° |
| H21 | C23 | H22 | 109.4° | 109.5° |
| H25 | C26 | H26 | 109.5° | 109.4° |
| H28 | C28 | H29 | 109.5° | 109.5° |
| H30 | C29 | H31 | 109.5° | 109.5° |
| H32 | C30 | H33 | 109.5° | 109.5° |
| H34 | C31 | H35 | 109.5° | 109.4° |
| H36 | C32 | H37 | 109.5° | 109.5° |
| H38 | C33 | H39 | 109.5° | 115.6° |
| O1 | S1 | O2 | 0.0° | 108.3° |
| O1 | S1 | O3 | 0.0° | 108.3° |
| O2 | S1 | O3 | 0.0° | 108.7° |
| S1 | O2 | H1 | 90.0° | 114.0° |
| S1 | O3 | H44 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | C06 | C07 | C05 | 123.9° | 120.0° |
| C08 | C06 | C07 | H14 | 116.9° | 120.0° |
| C08 | C06 | C05 | H14 | 119.6° | 119.9° |
| C08 | C06 | C05 | C04 | 178.3° | 173.9° |
| C08 | C06 | C05 | H12 | 61.1° | 66.1° |
| C08 | C06 | C05 | H13 | 57.8° | 53.9° |
| C08 | C06 | C07 | H15 | 180.0° | 56.4° |
| C08 | C06 | C07 | H16 | 60.0° | 63.5° |
| C08 | C06 | C07 | H17 | 60.0° | 176.4° |
| C06 | C08 | H18 | H19 | 120.0° | 120.0° |
| C06 | C08 | H18 | H20 | 120.0° | 119.9° |
| C06 | C08 | H19 | H20 | 120.0° | 120.0° |
| C29 | C30 | C31 | H32 | 120.2° | 120.0° |
| C29 | C30 | C31 | H33 | 120.2° | 120.0° |
| C30 | C29 | C28 | H30 | 120.3° | 119.9° |
| C30 | C29 | C28 | H31 | 120.3° | 120.0° |
| C30 | C29 | C28 | C27 | 58.3° | 60.0° |
| C29 | C30 | C31 | C32 | 53.9° | 60.0° |
| C30 | C29 | C28 | H28 | 62.0° | 180.0° |
| C30 | C29 | C28 | H29 | 178.7° | 60.0° |
| C30 | C29 | H30 | H31 | 119.1° | 120.0° |
| C29 | C30 | H32 | H33 | 119.5° | 120.0° |
| C29 | C30 | C31 | H34 | 66.4° | 60.1° |
| C29 | C30 | C31 | H35 | 174.2° | 180.0° |
| C31 | C30 | C29 | C28 | 55.4° | 60.0° |
| C30 | C31 | C32 | H34 | 120.3° | 120.0° |
| C30 | C31 | C32 | H35 | 120.3° | 120.0° |
| C30 | C31 | C32 | C27 | 55.8° | 60.0° |
| C31 | C30 | C29 | H30 | 175.7° | 60.0° |
| C31 | C30 | C29 | H31 | 64.9° | 180.0° |
| C31 | C30 | H32 | H33 | 119.5° | 120.0° |
| C30 | C31 | H34 | H35 | 119.1° | 120.0° |
| C30 | C31 | C32 | H36 | 176.2° | 60.0° |
| C30 | C31 | C32 | H37 | 64.6° | 180.0° |
| C29 | C28 | C27 | H28 | 120.4° | 119.9° |
| C29 | C28 | C27 | H29 | 120.4° | 120.0° |
| C29 | C28 | C27 | C32 | 57.4° | 60.1° |
| C29 | C28 | C27 | C26 | 177.8° | 180.0° |
| C29 | C28 | C27 | H27 | 58.3° | 60.0° |
| C29 | C28 | H28 | H29 | 118.9° | 119.9° |
| C28 | C29 | H30 | H31 | 119.2° | 120.1° |
| C28 | C29 | C30 | H32 | 175.5° | 180.0° |
| C28 | C29 | C30 | H33 | 64.8° | 60.0° |
| C28 | C27 | C32 | C31 | 56.1° | 60.0° |
| C28 | C27 | C32 | C26 | 127.1° | 120.0° |
| C28 | C27 | C32 | H27 | 115.6° | 120.1° |
| C28 | C27 | C26 | H27 | 119.5° | 120.1° |
| C28 | C27 | C26 | C25 | 165.1° | 175.0° |
| C28 | C27 | C26 | H25 | 74.0° | 55.0° |
| C28 | C27 | C26 | H26 | 44.2° | 64.9° |
| C27 | C28 | H28 | H29 | 118.9° | 120.1° |
| C27 | C28 | C29 | H30 | 178.6° | 59.9° |
| C27 | C28 | C29 | H31 | 62.0° | 180.0° |
| C28 | C27 | C32 | H36 | 176.5° | 60.0° |
| C28 | C27 | C32 | H37 | 64.3° | 180.0° |
| C07 | C06 | C05 | H14 | 119.2° | 120.0° |
| C07 | C06 | C05 | C04 | 60.5° | 66.0° |
| C07 | C06 | C05 | H12 | 60.1° | 54.0° |
| C07 | C06 | C05 | H13 | 179.0° | 174.0° |
| C06 | C07 | H15 | H16 | 120.0° | 120.0° |
| C06 | C07 | H15 | H17 | 120.0° | 120.0° |
| C06 | C07 | H16 | H17 | 120.0° | 120.0° |
| C07 | C06 | C08 | H18 | 180.0° | 60.0° |
| C07 | C06 | C08 | H19 | 60.0° | 180.0° |
| C07 | C06 | C08 | H20 | 60.0° | 60.0° |
| C06 | C05 | C04 | H12 | 120.5° | 120.0° |
| C06 | C05 | C04 | H13 | 120.5° | 120.0° |
| C06 | C05 | C04 | N03 | 66.0° | 176.5° |
| C06 | C05 | C04 | C09 | 176.4° | 63.5° |
| C06 | C05 | C04 | H11 | 55.3° | 56.5° |
| C06 | C05 | H12 | H13 | 118.3° | 120.0° |
| C05 | C06 | C07 | H15 | 56.1° | 63.6° |
| C05 | C06 | C07 | H16 | 176.1° | 176.4° |
| C05 | C06 | C07 | H17 | 64.0° | 56.4° |
| C05 | C06 | C08 | H18 | 56.5° | 60.1° |
| C05 | C06 | C08 | H19 | 63.5° | 59.9° |
| C05 | C06 | C08 | H20 | 176.5° | 180.0° |
| C31 | C32 | C27 | H36 | 120.4° | 120.0° |
| C31 | C32 | C27 | H37 | 120.4° | 120.0° |
| C31 | C32 | C27 | C26 | 176.8° | 180.0° |
| C31 | C32 | C27 | H27 | 59.6° | 60.0° |
| C32 | C31 | C30 | H32 | 174.1° | 180.0° |
| C32 | C31 | C30 | H33 | 66.3° | 60.0° |
| C32 | C31 | H34 | H35 | 119.0° | 120.0° |
| C31 | C32 | H36 | H37 | 118.7° | 120.0° |
| C32 | C27 | C26 | H27 | 117.2° | 119.9° |
| C32 | C27 | C26 | C25 | 71.6° | 65.0° |
| C32 | C27 | C26 | H25 | 49.2° | 175.0° |
| C32 | C27 | C26 | H26 | 167.5° | 55.0° |
| C32 | C27 | C28 | H28 | 63.0° | 180.0° |
| C32 | C27 | C28 | H29 | 177.7° | 59.9° |
| C27 | C32 | C31 | H34 | 64.5° | 60.0° |
| C27 | C32 | C31 | H35 | 176.1° | 180.0° |
| C27 | C32 | H36 | H37 | 118.6° | 120.0° |
| C27 | C26 | C25 | H25 | 120.9° | 120.0° |
| C27 | C26 | C25 | H26 | 120.9° | 120.0° |
| C27 | C26 | C25 | C24 | 112.0° | 175.0° |
| C27 | C26 | C25 | C33 | 41.9° | 116.3° |
| C27 | C26 | C25 | H24 | 105.7° | 29.3° |
| C27 | C26 | H25 | H26 | 117.3° | 120.0° |
| C26 | C27 | C28 | H28 | 61.8° | 60.1° |
| C26 | C27 | C28 | H29 | 57.5° | 60.0° |
| C26 | C27 | C32 | H36 | 56.4° | 60.0° |
| C26 | C27 | C32 | H37 | 62.8° | 60.0° |
| C26 | C25 | C24 | C33 | 112.1° | 107.5° |
| C26 | C25 | C24 | H24 | 142.5° | 145.0° |
| C26 | C25 | C33 | H24 | 147.6° | 145.0° |
| C26 | C25 | C24 | C23 | 135.5° | 145.0° |
| C26 | C25 | C24 | H23 | 6.5° | 0.1° |
| C25 | C26 | H25 | H26 | 117.3° | 120.0° |
| C25 | C26 | C27 | H27 | 45.6° | 54.9° |
| C26 | C25 | C33 | H38 | 2.3° | 145.0° |
| C26 | C25 | C33 | H39 | 142.9° | 0.0° |
| C05 | C04 | N03 | C09 | 120.0° | 120.0° |
| C05 | C04 | N03 | H11 | 120.8° | 120.0° |
| C05 | C04 | N03 | C02 | 176.0° | 87.8° |
| C05 | C04 | C09 | H11 | 121.2° | 120.0° |
| C05 | C04 | C09 | O21 | 81.7° | 99.1° |
| C05 | C04 | C09 | N10 | 99.9° | 80.9° |
| C04 | C05 | H12 | H13 | 118.4° | 120.0° |
| C04 | C05 | C06 | H14 | 58.7° | 54.0° |
| C05 | C04 | N03 | H40 | 4.0° | 92.2° |
| C24 | C25 | C33 | H24 | 105.0° | 107.5° |
| C25 | C24 | C23 | O22 | 76.7° | 175.0° |
| C25 | C24 | C33 | C23 | 107.7° | 107.5° |
| C25 | C24 | C33 | H23 | 104.9° | 107.5° |
| C25 | C24 | C23 | H23 | 141.7° | 145.8° |
| C25 | C24 | C23 | H21 | 44.0° | 65.0° |
| C25 | C24 | C23 | H22 | 162.7° | 55.0° |
| C24 | C25 | C26 | H25 | 127.1° | 65.0° |
| C24 | C25 | C26 | H26 | 8.8° | 55.0° |
| C24 | C25 | C33 | H38 | 109.7° | 107.4° |
| C24 | C25 | C33 | H39 | 109.7° | 107.5° |
| C33 | C25 | C26 | H25 | 162.7° | 3.7° |
| C33 | C25 | C26 | H26 | 79.0° | 123.6° |
| C25 | C33 | H38 | H39 | 144.3° | 145.7° |
| C04 | N03 | C02 | H40 | 180.0° | 180.0° |
| N03 | C04 | C09 | H11 | 119.7° | 120.0° |
| C04 | N03 | C02 | O22 | 172.2° | 174.8° |
| C04 | N03 | C02 | O01 | 7.4° | 5.2° |
| N03 | C04 | C09 | O21 | 37.4° | 20.9° |
| N03 | C04 | C09 | N10 | 141.0° | 159.1° |
| N03 | C04 | C05 | H12 | 173.5° | 56.5° |
| N03 | C04 | C05 | H13 | 54.5° | 63.5° |
| C02 | N03 | C04 | C09 | 63.9° | 152.2° |
| N03 | C02 | O22 | O01 | 179.6° | 180.0° |
| N03 | C02 | O22 | C23 | 179.1° | 180.0° |
| C02 | N03 | C04 | H11 | 55.2° | 32.2° |
| C04 | C09 | O21 | N10 | 178.4° | 180.0° |
| C04 | C09 | N10 | C11 | 178.7° | 174.6° |
| C09 | C04 | C05 | H12 | 55.9° | 176.5° |
| C09 | C04 | C05 | H13 | 63.0° | 56.5° |
| C09 | C04 | N03 | H40 | 116.0° | 27.8° |
| C04 | C09 | N10 | H41 | 1.4° | 5.4° |
| C02 | O22 | C23 | C24 | 163.4° | 180.0° |
| C02 | O22 | C23 | H21 | 42.8° | 60.0° |
| C02 | O22 | C23 | H22 | 75.9° | 60.0° |
| O22 | C02 | N03 | H40 | 7.8° | 5.2° |
| O22 | C23 | C24 | C33 | 147.6° | 116.4° |
| O22 | C23 | C24 | H21 | 120.6° | 120.0° |
| O22 | C23 | C24 | H22 | 120.6° | 120.0° |
| C23 | O22 | C02 | O01 | 0.6° | 0.0° |
| O22 | C23 | H21 | H22 | 118.1° | 120.0° |
| O22 | C23 | C24 | H23 | 65.0° | 29.2° |
| C33 | C24 | C23 | H23 | 147.4° | 145.6° |
| C33 | C24 | C23 | H21 | 26.9° | 3.7° |
| C33 | C24 | C23 | H22 | 91.8° | 123.6° |
| C24 | C33 | H38 | H39 | 144.2° | 145.7° |
| C24 | C23 | H21 | H22 | 118.1° | 120.0° |
| C23 | C24 | C25 | H24 | 7.0° | 0.0° |
| C23 | C24 | C33 | H38 | 142.6° | 0.0° |
| C23 | C24 | C33 | H39 | 2.1° | 145.0° |
| O01 | C02 | N03 | H40 | 172.6° | 174.9° |
| O21 | C09 | N10 | C11 | 0.2° | 5.4° |
| O21 | C09 | C04 | H11 | 157.1° | 140.9° |
| O21 | C09 | N10 | H41 | 179.8° | 174.7° |
| C09 | N10 | C11 | H41 | 180.0° | 179.9° |
| C09 | N10 | C11 | C19 | 125.7° | 87.2° |
| C09 | N10 | C11 | C12 | 113.0° | 152.8° |
| C09 | N10 | C11 | H10 | 5.8° | 32.8° |
| N10 | C09 | C04 | H11 | 21.3° | 39.1° |
| N10 | C11 | C19 | O20 | 61.6° | 95.1° |
| N10 | C11 | C19 | S1 | 54.4° | 145.0° |
| N10 | C11 | C19 | C12 | 119.8° | 120.0° |
| N10 | C11 | C19 | H10 | 120.7° | 120.0° |
| N10 | C11 | C12 | H10 | 119.8° | 120.0° |
| N10 | C11 | C12 | C13 | 63.4° | 65.0° |
| N10 | C11 | C19 | H6 | 173.0° | 24.9° |
| N10 | C11 | C12 | H8 | 57.1° | 174.9° |
| N10 | C11 | C12 | H9 | 176.2° | 55.0° |
| O20 | C19 | S1 | C11 | 115.9° | 119.9° |
| O20 | C19 | S1 | H6 | 123.4° | 120.0° |
| O20 | C19 | C11 | H6 | 125.3° | 120.0° |
| O20 | C19 | C11 | C12 | 178.6° | 24.9° |
| O20 | C19 | C11 | H10 | 59.1° | 144.9° |
| O20 | C19 | S1 | O1 | 119.8° | 54.7° |
| O20 | C19 | S1 | O2 | 119.8° | 175.8° |
| O20 | C19 | S1 | O3 | 119.8° | 66.4° |
| S1 | C19 | C11 | H6 | 118.7° | 120.0° |
| S1 | C19 | C11 | C12 | 65.4° | 95.0° |
| S1 | C19 | C11 | H10 | 175.1° | 24.9° |
| S1 | C19 | O20 | H43 | 180.0° | 180.0° |
| C19 | S1 | O1 | O2 | 90.0° | 121.1° |
| C19 | S1 | O1 | O3 | 90.0° | 121.2° |
| C19 | S1 | O2 | O3 | 90.0° | 117.6° |
| C19 | S1 | O2 | H1 | 90.0° | 179.9° |
| C19 | S1 | O3 | H44 | 90.0° | 54.9° |
| C19 | C11 | C12 | H10 | 119.5° | 120.0° |
| C19 | C11 | C12 | C13 | 176.0° | 175.0° |
| C19 | C11 | C12 | H8 | 63.6° | 54.9° |
| C19 | C11 | C12 | H9 | 55.5° | 65.0° |
| C19 | C11 | N10 | H41 | 54.3° | 92.9° |
| C11 | C19 | O20 | H43 | 64.1° | 60.0° |
| C11 | C19 | S1 | O1 | 3.9° | 174.6° |
| C11 | C19 | S1 | O2 | 3.9° | 64.3° |
| C11 | C19 | S1 | O3 | 3.9° | 53.5° |
| C11 | C12 | C13 | H8 | 120.5° | 120.0° |
| C11 | C12 | C13 | H9 | 120.4° | 120.0° |
| C11 | C12 | C13 | C17 | 61.5° | 175.0° |
| C11 | C12 | C13 | C14 | 179.6° | 70.2° |
| C12 | C11 | C19 | H6 | 53.3° | 144.9° |
| C11 | C12 | C13 | H7 | 60.0° | 52.4° |
| C11 | C12 | H8 | H9 | 118.6° | 119.9° |
| C12 | C11 | N10 | H41 | 67.0° | 27.1° |
| C12 | C13 | C17 | C14 | 123.3° | 118.7° |
| C12 | C13 | C17 | H7 | 121.6° | 122.5° |
| C12 | C13 | C14 | H7 | 120.3° | 122.5° |
| C12 | C13 | C17 | C16 | 137.1° | 94.0° |
| C12 | C13 | C14 | O18 | 46.0° | 77.6° |
| C12 | C13 | C14 | N15 | 133.5° | 102.7° |
| C12 | C13 | C17 | H4 | 17.6° | 147.8° |
| C12 | C13 | C17 | H5 | 103.3° | 24.1° |
| C13 | C12 | H8 | H9 | 118.6° | 120.0° |
| C13 | C12 | C11 | H10 | 56.4° | 55.0° |
| C17 | C13 | C14 | H7 | 114.8° | 118.8° |
| C13 | C17 | C16 | H4 | 119.6° | 118.2° |
| C13 | C17 | C16 | H5 | 119.6° | 118.2° |
| C17 | C13 | C14 | O18 | 170.9° | 163.7° |
| C17 | C13 | C14 | N15 | 8.5° | 16.0° |
| C13 | C17 | C16 | N15 | 14.3° | 25.4° |
| C13 | C17 | C16 | H2 | 133.6° | 93.6° |
| C13 | C17 | C16 | H3 | 104.9° | 144.4° |
| C13 | C17 | H4 | H5 | 121.3° | 123.9° |
| C17 | C13 | C12 | H8 | 178.0° | 54.9° |
| C17 | C13 | C12 | H9 | 58.9° | 65.0° |
| C14 | C13 | C17 | C16 | 13.8° | 24.7° |
| C13 | C14 | O18 | N15 | 179.4° | 179.6° |
| C13 | C14 | N15 | C16 | 0.5° | 0.7° |
| C14 | C13 | C17 | H4 | 105.7° | 93.4° |
| C14 | C13 | C17 | H5 | 133.4° | 142.8° |
| C14 | C13 | C12 | H8 | 59.9° | 169.8° |
| C14 | C13 | C12 | H9 | 59.2° | 49.8° |
| C13 | C14 | N15 | H42 | 179.5° | 179.3° |
| C17 | C16 | N15 | C14 | 9.4° | 17.2° |
| C17 | C16 | N15 | H2 | 119.2° | 119.1° |
| C17 | C16 | N15 | H3 | 119.2° | 118.9° |
| C17 | C16 | H2 | H3 | 122.2° | 122.0° |
| C16 | C17 | H4 | H5 | 121.3° | 123.7° |
| C16 | C17 | C13 | H7 | 101.2° | 143.4° |
| C17 | C16 | N15 | H42 | 170.6° | 162.8° |
| O18 | C14 | N15 | C16 | 180.0° | 179.7° |
| O18 | C14 | C13 | H7 | 74.3° | 44.9° |
| O18 | C14 | N15 | H42 | 0.1° | 0.3° |
| C14 | N15 | C16 | H42 | 180.0° | 180.0° |
| C14 | N15 | C16 | H2 | 128.7° | 101.9° |
| C14 | N15 | C16 | H3 | 109.8° | 136.1° |
| N15 | C14 | C13 | H7 | 106.3° | 134.8° |
| N15 | C16 | H2 | H3 | 122.2° | 121.9° |
| N15 | C16 | C17 | H4 | 105.3° | 92.8° |
| N15 | C16 | C17 | H5 | 133.9° | 143.6° |
| H2 | C16 | C17 | H4 | 14.0° | 148.2° |
| H2 | C16 | C17 | H5 | 106.9° | 24.6° |
| H2 | C16 | N15 | H42 | 51.3° | 78.0° |
| H3 | C16 | C17 | H4 | 135.5° | 26.2° |
| H3 | C16 | C17 | H5 | 14.6° | 97.5° |
| H3 | C16 | N15 | H42 | 70.2° | 43.9° |
| H4 | C17 | C13 | H7 | 139.2° | 25.3° |
| H5 | C17 | C13 | H7 | 18.3° | 98.5° |
| H6 | C19 | C11 | H10 | 66.2° | 95.1° |
| H6 | C19 | O20 | H43 | 59.9° | 60.0° |
| H6 | C19 | S1 | O1 | 116.8° | 65.4° |
| H6 | C19 | S1 | O2 | 116.8° | 55.7° |
| H6 | C19 | S1 | O3 | 116.8° | 173.5° |
| H7 | C13 | C12 | H8 | 60.4° | 67.7° |
| H7 | C13 | C12 | H9 | 179.5° | 172.4° |
| H8 | C12 | C11 | H10 | 176.9° | 65.0° |
| H9 | C12 | C11 | H10 | 64.0° | 175.0° |
| H10 | C11 | N10 | H41 | 174.1° | 147.1° |
| H11 | C04 | C05 | H12 | 65.2° | 63.5° |
| H11 | C04 | C05 | H13 | 175.9° | 176.5° |
| H11 | C04 | N03 | H40 | 124.8° | 147.8° |
| H12 | C05 | C06 | H14 | 179.2° | 174.0° |
| H13 | C05 | C06 | H14 | 61.9° | 66.0° |
| H14 | C06 | C07 | H15 | 63.1° | 176.4° |
| H14 | C06 | C07 | H16 | 56.9° | 56.5° |
| H14 | C06 | C07 | H17 | 176.9° | 63.6° |
| H14 | C06 | C08 | H18 | 63.1° | 180.0° |
| H14 | C06 | C08 | H19 | 176.9° | 60.0° |
| H14 | C06 | C08 | H20 | 56.9° | 60.1° |
| H15 | C07 | H16 | H17 | 120.0° | 120.0° |
| H18 | C08 | H19 | H20 | 120.0° | 120.1° |
| H21 | C23 | C24 | H23 | 174.3° | 149.3° |
| H22 | C23 | C24 | H23 | 55.6° | 90.8° |
| H23 | C24 | C25 | H24 | 149.0° | 145.1° |
| H23 | C24 | C33 | H38 | 4.8° | 144.9° |
| H23 | C24 | C33 | H39 | 145.4° | 0.1° |
| H24 | C25 | C26 | H25 | 15.2° | 149.3° |
| H24 | C25 | C26 | H26 | 133.5° | 90.7° |
| H24 | C25 | C33 | H38 | 145.3° | 0.1° |
| H24 | C25 | C33 | H39 | 4.7° | 145.0° |
| H25 | C26 | C27 | H27 | 166.5° | 65.1° |
| H26 | C26 | C27 | H27 | 75.3° | 175.0° |
| H27 | C27 | C28 | H28 | 178.7° | 60.0° |
| H27 | C27 | C28 | H29 | 62.1° | 180.0° |
| H27 | C27 | C32 | H36 | 60.9° | 179.9° |
| H27 | C27 | C32 | H37 | 180.0° | 59.9° |
| H28 | C28 | C29 | H30 | 58.2° | 60.0° |
| H28 | C28 | C29 | H31 | 177.7° | 60.0° |
| H29 | C28 | C29 | H30 | 61.0° | 180.0° |
| H29 | C28 | C29 | H31 | 58.4° | 60.0° |
| H30 | C29 | C30 | H32 | 64.2° | 60.0° |
| H30 | C29 | C30 | H33 | 55.5° | 180.0° |
| H31 | C29 | C30 | H32 | 55.2° | 60.0° |
| H31 | C29 | C30 | H33 | 174.9° | 60.0° |
| H32 | C30 | C31 | H34 | 53.8° | 60.0° |
| H32 | C30 | C31 | H35 | 65.7° | 60.0° |
| H33 | C30 | C31 | H34 | 173.4° | 180.0° |
| H33 | C30 | C31 | H35 | 54.0° | 60.0° |
| H34 | C31 | C32 | H36 | 55.9° | 180.0° |
| H34 | C31 | C32 | H37 | 175.1° | 60.0° |
| H35 | C31 | C32 | H36 | 63.5° | 60.0° |
| H35 | C31 | C32 | H37 | 55.7° | 60.0° |
| O1 | S1 | O2 | O3 | 90.0° | 117.5° |
| O1 | S1 | O2 | H1 | 90.0° | 55.0° |
| O1 | S1 | O3 | H44 | 90.0° | 179.9° |
| O2 | S1 | O3 | H44 | 90.0° | 62.6° |
| O3 | S1 | O2 | H1 | 90.0° | 62.5° |
