P8C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C06 | sing | 1.53Å | 1.53Å | |
| F33 | C29 | sing | 1.40Å | 1.36Å | |
| F32 | C29 | sing | 1.40Å | 1.34Å | |
| C30 | C29 | sing | 1.53Å | 1.57Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | sing | 1.53Å | 1.55Å | |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| C06 | C05 | sing | 1.53Å | 1.56Å | |
| C31 | C26 | sing | 1.53Å | 1.54Å | |
| C28 | C27 | sing | 1.53Å | 1.50Å | |
| C05 | C04 | sing | 1.53Å | 1.55Å | |
| C26 | C27 | sing | 1.53Å | 1.51Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| N03 | C04 | sing | 1.47Å | 1.46Å | |
| N03 | C02 | sing | 1.35Å | 1.39Å | |
| C04 | C09 | sing | 1.51Å | 1.57Å | |
| O22 | C02 | sing | 1.35Å | 1.37Å | |
| O22 | C23 | sing | 1.45Å | 1.41Å | |
| C02 | O01 | doub | 1.21Å | 1.22Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C25 | C34 | sing | 1.53Å | 1.49Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C24 | C34 | sing | 1.53Å | 1.51Å | |
| C09 | O21 | doub | 1.21Å | 1.22Å | |
| C09 | N10 | sing | 1.35Å | 1.38Å | |
| N10 | C11 | sing | 1.47Å | 1.45Å | |
| O20 | C19 | sing | 1.43Å | 1.41Å | |
| S1 | C19 | sing | 1.81Å | 1.79Å | |
| C11 | C19 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.53Å | 1.57Å | |
| C13 | C12 | sing | 1.53Å | 1.56Å | |
| C13 | C17 | sing | 1.55Å | 1.55Å | |
| C13 | C14 | sing | 1.51Å | 1.55Å | |
| C17 | C16 | sing | 1.54Å | 1.55Å | |
| C14 | O18 | doub | 1.21Å | 1.21Å | |
| C14 | N15 | sing | 1.34Å | 1.40Å | |
| C16 | N15 | sing | 1.47Å | 1.47Å | |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C05 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| N03 | H35 | sing | 0.97Å | 1.00Å | |
| N10 | H36 | sing | 0.97Å | 1.00Å | |
| N15 | H37 | sing | 0.97Å | 1.00Å | |
| O20 | H38 | sing | 0.97Å | 0.95Å | |
| S1 | O1 | doub | 1.42Å | 1.79Å | |
| S1 | O2 | sing | 1.52Å | 35.30Å | |
| S1 | O3 | sing | 1.52Å | 35.30Å | |
| O2 | H39 | sing | 0.97Å | 0.00Å | |
| O3 | H40 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | C06 | C07 | 107.9° | 109.5° |
| C08 | C06 | C05 | 112.9° | 109.4° |
| C08 | C06 | H4 | 108.0° | 109.5° |
| C06 | C08 | H8 | 109.5° | 109.5° |
| C06 | C08 | H9 | 109.4° | 109.5° |
| C06 | C08 | H10 | 109.5° | 109.4° |
| F33 | C29 | F32 | 103.1° | 109.5° |
| F33 | C29 | C30 | 110.8° | 109.5° |
| F33 | C29 | C28 | 109.9° | 109.5° |
| F32 | C29 | C30 | 110.4° | 109.4° |
| F32 | C29 | C28 | 109.1° | 109.5° |
| C29 | C30 | C31 | 111.3° | 109.5° |
| C30 | C29 | C28 | 113.0° | 109.5° |
| C29 | C30 | H29 | 109.0° | 109.5° |
| C29 | C30 | H30 | 109.0° | 109.4° |
| C30 | C31 | C26 | 110.0° | 109.5° |
| C31 | C30 | H29 | 109.0° | 109.5° |
| C31 | C30 | H30 | 109.0° | 109.5° |
| C30 | C31 | H31 | 109.3° | 109.5° |
| C30 | C31 | H32 | 109.4° | 109.5° |
| C29 | C28 | C27 | 109.4° | 109.5° |
| C29 | C28 | H27 | 109.5° | 109.5° |
| C29 | C28 | H28 | 109.5° | 109.4° |
| C07 | C06 | C05 | 112.2° | 109.5° |
| C07 | C06 | H4 | 107.9° | 109.5° |
| C06 | C07 | H5 | 109.5° | 109.5° |
| C06 | C07 | H6 | 109.5° | 109.5° |
| C06 | C07 | H7 | 109.5° | 109.5° |
| C06 | C05 | C04 | 111.4° | 109.4° |
| C06 | C05 | H2 | 109.0° | 109.5° |
| C06 | C05 | H3 | 109.0° | 109.5° |
| C05 | C06 | H4 | 107.7° | 109.5° |
| C31 | C26 | C27 | 105.4° | 109.5° |
| C31 | C26 | C25 | 113.9° | 109.5° |
| C31 | C26 | H24 | 104.8° | 109.5° |
| C26 | C31 | H31 | 109.3° | 109.5° |
| C26 | C31 | H32 | 109.3° | 109.5° |
| C28 | C27 | C26 | 110.1° | 109.5° |
| C28 | C27 | H25 | 109.3° | 109.5° |
| C28 | C27 | H26 | 109.3° | 109.5° |
| C27 | C28 | H27 | 109.5° | 109.5° |
| C27 | C28 | H28 | 109.5° | 109.5° |
| C05 | C04 | N03 | 112.8° | 109.4° |
| C05 | C04 | C09 | 110.8° | 109.5° |
| C05 | C04 | H1 | 107.9° | 109.4° |
| C04 | C05 | H2 | 109.0° | 109.4° |
| C04 | C05 | H3 | 109.0° | 109.5° |
| C27 | C26 | C25 | 121.3° | 109.5° |
| C27 | C26 | H24 | 105.0° | 109.4° |
| C26 | C27 | H25 | 109.3° | 109.5° |
| C26 | C27 | H26 | 109.3° | 109.5° |
| C26 | C25 | C24 | 125.4° | 117.5° |
| C26 | C25 | C34 | 126.7° | 117.5° |
| C26 | C25 | H23 | 111.7° | 115.5° |
| C25 | C26 | H24 | 105.0° | 109.5° |
| C04 | N03 | C02 | 120.7° | 120.0° |
| N03 | C04 | C09 | 108.4° | 109.5° |
| N03 | C04 | H1 | 109.1° | 109.5° |
| C04 | N03 | H35 | 119.7° | 120.0° |
| N03 | C02 | O22 | 115.7° | 120.0° |
| N03 | C02 | O01 | 123.7° | 120.0° |
| C02 | N03 | H35 | 119.6° | 120.0° |
| C04 | C09 | O21 | 121.1° | 120.0° |
| C04 | C09 | N10 | 119.8° | 120.0° |
| C09 | C04 | H1 | 107.7° | 109.5° |
| C02 | O22 | C23 | 116.4° | 117.0° |
| O22 | C02 | O01 | 120.5° | 120.1° |
| O22 | C23 | C24 | 113.8° | 109.5° |
| O22 | C23 | H20 | 108.4° | 109.5° |
| O22 | C23 | H21 | 108.4° | 109.5° |
| C24 | C25 | C34 | 60.1° | 60.0° |
| C25 | C24 | C23 | 116.9° | 117.5° |
| C25 | C24 | C34 | 58.8° | 60.0° |
| C25 | C24 | H22 | 116.2° | 117.5° |
| C24 | C25 | H23 | 111.5° | 117.5° |
| C25 | C34 | C24 | 61.1° | 60.0° |
| C34 | C25 | H23 | 112.1° | 117.5° |
| C25 | C34 | H33 | 119.8° | 117.5° |
| C25 | C34 | H34 | 119.8° | 117.5° |
| C23 | C24 | C34 | 119.6° | 117.5° |
| C24 | C23 | H20 | 108.4° | 109.4° |
| C24 | C23 | H21 | 108.4° | 109.5° |
| C23 | C24 | H22 | 116.4° | 115.6° |
| C34 | C24 | H22 | 116.5° | 117.5° |
| C24 | C34 | H33 | 119.8° | 117.5° |
| C24 | C34 | H34 | 119.8° | 117.5° |
| O21 | C09 | N10 | 119.1° | 120.0° |
| C09 | N10 | C11 | 123.1° | 120.0° |
| C09 | N10 | H36 | 118.4° | 120.0° |
| N10 | C11 | C19 | 108.6° | 109.4° |
| N10 | C11 | C12 | 110.1° | 109.5° |
| N10 | C11 | H11 | 110.4° | 109.5° |
| C11 | N10 | H36 | 118.5° | 120.0° |
| O20 | C19 | S1 | 108.5° | 109.5° |
| O20 | C19 | C11 | 106.5° | 109.4° |
| O20 | C19 | H19 | 113.9° | 109.5° |
| C19 | O20 | H38 | 109.5° | 114.0° |
| S1 | C19 | C11 | 107.4° | 109.5° |
| S1 | C19 | H19 | 108.6° | 109.5° |
| C19 | S1 | O1 | 96.4° | 114.6° |
| C19 | S1 | O2 | 121.6° | 108.3° |
| C19 | S1 | O3 | 121.6° | 108.3° |
| C19 | C11 | C12 | 109.7° | 109.5° |
| C19 | C11 | H11 | 109.2° | 109.5° |
| C11 | C19 | H19 | 111.7° | 109.5° |
| C11 | C12 | C13 | 112.4° | 109.5° |
| C12 | C11 | H11 | 108.8° | 109.5° |
| C11 | C12 | H12 | 108.8° | 109.5° |
| C11 | C12 | H13 | 108.8° | 109.5° |
| C12 | C13 | C17 | 110.7° | 110.5° |
| C12 | C13 | C14 | 112.4° | 110.5° |
| C13 | C12 | H12 | 108.7° | 109.4° |
| C13 | C12 | H13 | 108.7° | 109.5° |
| C12 | C13 | H14 | 110.0° | 110.5° |
| C17 | C13 | C14 | 103.4° | 104.2° |
| C13 | C17 | C16 | 106.5° | 101.7° |
| C17 | C13 | H14 | 110.1° | 110.4° |
| C13 | C17 | H17 | 110.2° | 110.9° |
| C13 | C17 | H18 | 110.2° | 111.0° |
| C13 | C14 | O18 | 128.0° | 125.0° |
| C13 | C14 | N15 | 108.7° | 110.2° |
| C14 | C13 | H14 | 110.1° | 110.6° |
| C17 | C16 | N15 | 104.8° | 105.5° |
| C17 | C16 | H15 | 110.7° | 110.2° |
| C17 | C16 | H16 | 110.6° | 110.3° |
| C16 | C17 | H17 | 110.2° | 111.0° |
| C16 | C17 | H18 | 110.2° | 111.0° |
| O18 | C14 | N15 | 123.3° | 124.9° |
| C14 | N15 | C16 | 113.3° | 111.3° |
| C14 | N15 | H37 | 123.3° | 124.4° |
| N15 | C16 | H15 | 110.6° | 110.2° |
| N15 | C16 | H16 | 110.6° | 110.3° |
| C16 | N15 | H37 | 123.4° | 124.3° |
| H2 | C05 | H3 | 109.5° | 109.5° |
| H5 | C07 | H6 | 109.4° | 109.4° |
| H5 | C07 | H7 | 109.5° | 109.4° |
| H6 | C07 | H7 | 109.5° | 109.5° |
| H8 | C08 | H9 | 109.5° | 109.5° |
| H8 | C08 | H10 | 109.4° | 109.4° |
| H9 | C08 | H10 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.4° | 109.5° |
| H15 | C16 | H16 | 109.5° | 110.2° |
| H17 | C17 | H18 | 109.5° | 110.9° |
| H20 | C23 | H21 | 109.5° | 109.5° |
| H25 | C27 | H26 | 109.5° | 109.5° |
| H27 | C28 | H28 | 109.5° | 109.4° |
| H29 | C30 | H30 | 109.5° | 109.4° |
| H31 | C31 | H32 | 109.5° | 109.5° |
| H33 | C34 | H34 | 109.5° | 115.6° |
| O1 | S1 | O2 | 140.2° | 108.3° |
| O1 | S1 | O3 | 140.2° | 108.3° |
| O2 | S1 | O3 | 0.0° | 108.7° |
| S1 | O2 | H39 | 90.0° | 114.0° |
| S1 | O3 | H40 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | C06 | C07 | C05 | 125.0° | 120.0° |
| C08 | C06 | C07 | H4 | 116.5° | 120.0° |
| C08 | C06 | C05 | H4 | 119.2° | 120.0° |
| C08 | C06 | C05 | C04 | 176.7° | 173.6° |
| C08 | C06 | C05 | H2 | 63.0° | 66.4° |
| C08 | C06 | C05 | H3 | 56.5° | 53.6° |
| C08 | C06 | C07 | H5 | 180.0° | 56.3° |
| C08 | C06 | C07 | H6 | 60.0° | 63.7° |
| C08 | C06 | C07 | H7 | 60.0° | 176.2° |
| C06 | C08 | H8 | H9 | 120.0° | 120.0° |
| C06 | C08 | H8 | H10 | 120.0° | 120.0° |
| C06 | C08 | H9 | H10 | 120.0° | 120.0° |
| F33 | C29 | F32 | C30 | 118.4° | 120.0° |
| F33 | C29 | F32 | C28 | 116.8° | 120.0° |
| F33 | C29 | C30 | C28 | 123.9° | 120.0° |
| F33 | C29 | C30 | C31 | 170.2° | 180.0° |
| F33 | C29 | C28 | C27 | 173.6° | 180.0° |
| F33 | C29 | C28 | H27 | 53.6° | 60.0° |
| F33 | C29 | C28 | H28 | 66.4° | 60.0° |
| F33 | C29 | C30 | H29 | 69.5° | 60.0° |
| F33 | C29 | C30 | H30 | 49.9° | 60.0° |
| F32 | C29 | C30 | C28 | 122.5° | 120.0° |
| F32 | C29 | C30 | C31 | 76.2° | 60.1° |
| F32 | C29 | C28 | C27 | 74.0° | 60.0° |
| F32 | C29 | C28 | H27 | 166.0° | 60.0° |
| F32 | C29 | C28 | H28 | 46.0° | 180.0° |
| F32 | C29 | C30 | H29 | 44.0° | 60.0° |
| F32 | C29 | C30 | H30 | 163.5° | 180.0° |
| C29 | C30 | C31 | H29 | 120.3° | 120.1° |
| C29 | C30 | C31 | H30 | 120.3° | 120.0° |
| C29 | C30 | C31 | C26 | 54.5° | 60.0° |
| C30 | C29 | C28 | C27 | 49.2° | 60.0° |
| C30 | C29 | C28 | H27 | 70.7° | 180.0° |
| C30 | C29 | C28 | H28 | 169.2° | 60.0° |
| C29 | C30 | H29 | H30 | 119.2° | 120.0° |
| C29 | C30 | C31 | H31 | 65.6° | 180.0° |
| C29 | C30 | C31 | H32 | 174.6° | 60.0° |
| C31 | C30 | C29 | C28 | 46.3° | 60.0° |
| C30 | C31 | C26 | H31 | 120.1° | 120.0° |
| C30 | C31 | C26 | H32 | 120.1° | 120.0° |
| C30 | C31 | C26 | C27 | 65.3° | 60.0° |
| C30 | C31 | C26 | C25 | 159.3° | NaN° |
| C30 | C31 | C26 | H24 | 45.1° | 60.0° |
| C31 | C30 | H29 | H30 | 119.1° | 120.0° |
| C30 | C31 | H31 | H32 | 119.8° | 120.0° |
| C29 | C28 | C27 | H27 | 120.0° | 120.0° |
| C29 | C28 | C27 | H28 | 120.0° | 120.0° |
| C29 | C28 | C27 | C26 | 62.2° | 60.0° |
| C29 | C28 | C27 | H25 | 177.7° | 60.0° |
| C29 | C28 | C27 | H26 | 57.9° | 180.0° |
| C29 | C28 | H27 | H28 | 120.0° | 119.9° |
| C28 | C29 | C30 | H29 | 166.6° | 180.0° |
| C28 | C29 | C30 | H30 | 74.0° | 60.0° |
| C07 | C06 | C05 | H4 | 118.6° | 120.0° |
| C07 | C06 | C05 | C04 | 61.0° | 66.4° |
| C07 | C06 | C05 | H2 | 59.3° | 53.6° |
| C07 | C06 | C05 | H3 | 178.7° | 173.6° |
| C06 | C07 | H5 | H6 | 120.0° | 120.0° |
| C06 | C07 | H5 | H7 | 120.0° | 120.0° |
| C06 | C07 | H6 | H7 | 120.0° | 120.1° |
| C07 | C06 | C08 | H8 | 180.0° | 60.0° |
| C07 | C06 | C08 | H9 | 60.0° | 180.0° |
| C07 | C06 | C08 | H10 | 60.0° | 60.0° |
| C06 | C05 | C04 | H2 | 120.3° | 120.0° |
| C06 | C05 | C04 | H3 | 120.3° | 120.0° |
| C06 | C05 | C04 | N03 | 62.7° | 175.7° |
| C06 | C05 | C04 | C09 | 175.6° | 64.3° |
| C06 | C05 | C04 | H1 | 57.9° | 55.7° |
| C06 | C05 | H2 | H3 | 119.1° | 120.1° |
| C05 | C06 | C07 | H5 | 55.0° | 63.7° |
| C05 | C06 | C07 | H6 | 175.0° | 176.4° |
| C05 | C06 | C07 | H7 | 65.0° | 56.3° |
| C05 | C06 | C08 | H8 | 55.4° | 60.0° |
| C05 | C06 | C08 | H9 | 64.6° | 60.0° |
| C05 | C06 | C08 | H10 | 175.4° | 180.0° |
| C31 | C26 | C27 | C28 | 70.0° | 60.0° |
| C31 | C26 | C27 | C25 | 131.2° | 120.0° |
| C31 | C26 | C27 | H24 | 110.3° | 120.0° |
| C31 | C26 | C25 | H24 | 114.0° | 120.0° |
| C31 | C26 | C25 | C24 | 34.2° | 180.0° |
| C31 | C26 | C25 | C34 | 110.7° | 111.3° |
| C31 | C26 | C25 | H23 | 106.0° | 34.4° |
| C31 | C26 | C27 | H25 | 169.9° | 60.0° |
| C31 | C26 | C27 | H26 | 50.1° | 179.9° |
| C26 | C31 | C30 | H29 | 174.8° | 180.0° |
| C26 | C31 | C30 | H30 | 65.8° | 60.0° |
| C26 | C31 | H31 | H32 | 119.8° | 120.0° |
| C28 | C27 | C26 | H25 | 120.1° | 120.0° |
| C28 | C27 | C26 | H26 | 120.1° | 120.0° |
| C28 | C27 | C26 | C25 | 158.8° | 180.0° |
| C28 | C27 | C26 | H24 | 40.3° | 60.0° |
| C28 | C27 | H25 | H26 | 119.7° | 120.0° |
| C27 | C28 | H27 | H28 | 120.1° | 120.0° |
| C05 | C04 | N03 | C09 | 123.1° | 120.0° |
| C05 | C04 | N03 | H1 | 119.9° | 119.9° |
| C05 | C04 | N03 | C02 | 177.2° | 82.7° |
| C05 | C04 | C09 | H1 | 117.8° | 120.0° |
| C05 | C04 | C09 | O21 | 86.4° | 99.7° |
| C05 | C04 | C09 | N10 | 95.0° | 80.4° |
| C04 | C05 | H2 | H3 | 119.1° | 120.0° |
| C04 | C05 | C06 | H4 | 57.6° | 53.7° |
| C05 | C04 | N03 | H35 | 2.8° | 97.4° |
| C27 | C26 | C25 | H24 | 118.5° | 120.0° |
| C27 | C26 | C25 | C24 | 93.4° | 59.9° |
| C27 | C26 | C25 | C34 | 16.8° | 128.6° |
| C27 | C26 | C25 | H23 | 126.5° | 85.7° |
| C26 | C27 | H25 | H26 | 119.7° | 120.0° |
| C26 | C27 | C28 | H27 | 57.8° | 180.0° |
| C26 | C27 | C28 | H28 | 177.8° | 60.0° |
| C27 | C26 | C31 | H31 | 54.7° | 180.0° |
| C27 | C26 | C31 | H32 | 174.5° | 60.0° |
| C26 | C25 | C24 | C34 | 116.0° | 107.5° |
| C26 | C25 | C24 | H23 | 140.2° | 144.9° |
| C26 | C25 | C34 | H23 | 143.2° | 145.0° |
| C26 | C25 | C24 | C23 | 134.2° | 145.0° |
| C26 | C25 | C24 | H22 | 9.5° | 0.0° |
| C25 | C26 | C27 | H25 | 38.7° | 60.0° |
| C25 | C26 | C27 | H26 | 81.2° | 60.0° |
| C25 | C26 | C31 | H31 | 80.7° | 60.0° |
| C25 | C26 | C31 | H32 | 39.2° | 60.0° |
| C26 | C25 | C34 | H33 | 136.3° | 0.1° |
| C26 | C25 | C34 | H34 | 4.1° | 145.0° |
| C04 | N03 | C02 | H35 | 180.0° | 179.9° |
| N03 | C04 | C09 | H1 | 117.9° | 120.1° |
| C04 | N03 | C02 | O22 | 167.6° | 174.8° |
| C04 | N03 | C02 | O01 | 12.6° | 5.1° |
| N03 | C04 | C09 | O21 | 37.9° | 20.3° |
| N03 | C04 | C09 | N10 | 140.7° | 159.7° |
| N03 | C04 | C05 | H2 | 177.0° | 55.7° |
| N03 | C04 | C05 | H3 | 57.6° | 64.3° |
| C02 | N03 | C04 | C09 | 54.1° | 157.4° |
| N03 | C02 | O22 | O01 | 179.8° | 179.8° |
| N03 | C02 | O22 | C23 | 169.4° | 179.7° |
| C02 | N03 | C04 | H1 | 62.9° | 37.3° |
| C04 | C09 | O21 | N10 | 178.7° | 180.0° |
| C04 | C09 | N10 | C11 | 179.2° | 174.5° |
| C09 | C04 | C05 | H2 | 55.3° | 175.7° |
| C09 | C04 | C05 | H3 | 64.1° | 55.7° |
| C09 | C04 | N03 | H35 | 125.9° | 22.5° |
| C04 | C09 | N10 | H36 | 0.8° | 5.6° |
| C02 | O22 | C23 | C24 | 119.3° | 180.0° |
| C02 | O22 | C23 | H20 | 1.4° | 60.0° |
| C02 | O22 | C23 | H21 | 120.1° | 60.1° |
| O22 | C02 | N03 | H35 | 12.4° | 5.1° |
| C23 | O22 | C02 | O01 | 10.8° | 0.1° |
| O22 | C23 | C24 | C25 | 107.2° | 175.0° |
| O22 | C23 | C24 | H20 | 120.6° | 120.0° |
| O22 | C23 | C24 | H21 | 120.7° | 120.0° |
| O22 | C23 | C24 | C34 | 174.9° | 116.4° |
| O22 | C23 | H20 | H21 | 118.0° | 120.0° |
| O22 | C23 | C24 | H22 | 36.4° | 29.3° |
| O01 | C02 | N03 | H35 | 167.4° | 175.0° |
| C24 | C25 | C34 | H23 | 102.9° | 107.5° |
| C25 | C24 | C23 | C34 | 67.7° | 68.6° |
| C25 | C24 | C23 | H22 | 143.6° | 145.7° |
| C25 | C24 | C34 | H22 | 106.0° | 107.5° |
| C25 | C24 | C23 | H20 | 132.1° | 55.0° |
| C25 | C24 | C23 | H21 | 13.4° | 65.0° |
| C24 | C25 | C26 | H24 | 148.2° | 60.0° |
| C24 | C25 | C34 | H33 | 109.8° | 107.4° |
| C24 | C25 | C34 | H34 | 109.8° | 107.4° |
| C34 | C25 | C26 | H24 | 135.3° | 8.7° |
| C25 | C34 | H33 | H34 | 144.1° | 145.8° |
| C23 | C24 | C34 | H22 | 148.6° | 145.0° |
| C24 | C23 | H20 | H21 | 118.0° | 120.0° |
| C23 | C24 | C25 | H23 | 6.0° | 0.1° |
| C23 | C24 | C34 | H33 | 4.4° | 145.0° |
| C23 | C24 | C34 | H34 | 144.8° | 0.0° |
| C34 | C24 | C23 | H20 | 64.4° | 123.6° |
| C34 | C24 | C23 | H21 | 54.3° | 3.6° |
| C24 | C34 | H33 | H34 | 144.1° | 145.6° |
| O21 | C09 | N10 | C11 | 0.5° | 5.5° |
| O21 | C09 | C04 | H1 | 155.8° | 140.3° |
| O21 | C09 | N10 | H36 | 179.4° | 174.5° |
| C09 | N10 | C11 | H36 | 180.0° | 180.0° |
| C09 | N10 | C11 | C19 | 128.5° | 59.2° |
| C09 | N10 | C11 | C12 | 111.4° | 60.8° |
| N10 | C09 | C04 | H1 | 22.9° | 39.6° |
| C09 | N10 | C11 | H11 | 8.7° | 179.1° |
| N10 | C11 | C19 | O20 | 63.7° | 179.9° |
| N10 | C11 | C19 | S1 | 52.4° | 60.1° |
| N10 | C11 | C19 | C12 | 120.4° | 120.0° |
| N10 | C11 | C19 | H11 | 120.5° | 120.0° |
| N10 | C11 | C12 | H11 | 121.1° | 120.0° |
| N10 | C11 | C12 | C13 | 62.4° | 63.3° |
| N10 | C11 | C12 | H12 | 58.0° | 56.6° |
| N10 | C11 | C12 | H13 | 177.1° | 176.7° |
| N10 | C11 | C19 | H19 | 171.4° | 59.9° |
| O20 | C19 | S1 | C11 | 114.7° | 119.9° |
| O20 | C19 | S1 | H19 | 124.3° | 120.1° |
| O20 | C19 | C11 | H19 | 125.0° | 120.0° |
| O20 | C19 | C11 | C12 | 176.0° | 59.9° |
| O20 | C19 | C11 | H11 | 56.8° | 60.1° |
| O20 | C19 | S1 | O1 | 70.4° | 54.2° |
| O20 | C19 | S1 | O2 | 122.0° | 175.4° |
| O20 | C19 | S1 | O3 | 122.0° | 66.9° |
| S1 | C19 | C11 | H19 | 119.0° | 120.0° |
| S1 | C19 | C11 | C12 | 68.0° | 179.9° |
| S1 | C19 | C11 | H11 | 172.9° | 59.9° |
| S1 | C19 | O20 | H38 | 180.0° | 180.0° |
| C19 | S1 | O1 | O2 | 163.5° | 121.1° |
| C19 | S1 | O1 | O3 | 163.5° | 121.1° |
| C19 | S1 | O2 | O3 | 90.0° | 117.5° |
| C19 | S1 | O2 | H39 | 90.0° | 179.9° |
| C19 | S1 | O3 | H40 | 90.0° | 54.6° |
| C19 | C11 | C12 | H11 | 119.4° | 120.0° |
| C19 | C11 | C12 | C13 | 178.1° | 176.7° |
| C19 | C11 | C12 | H12 | 61.5° | 63.3° |
| C19 | C11 | C12 | H13 | 57.6° | 56.7° |
| C19 | C11 | N10 | H36 | 51.6° | 120.9° |
| C11 | C19 | O20 | H38 | 64.7° | 60.0° |
| C11 | C19 | S1 | O1 | 174.9° | 174.2° |
| C11 | C19 | S1 | O2 | 7.2° | 64.7° |
| C11 | C19 | S1 | O3 | 7.2° | 53.1° |
| C11 | C12 | C13 | H12 | 120.5° | 120.0° |
| C11 | C12 | C13 | H13 | 120.4° | 120.0° |
| C11 | C12 | C13 | C17 | 63.1° | 64.2° |
| C11 | C12 | C13 | C14 | 178.2° | 179.0° |
| C11 | C12 | H12 | H13 | 118.7° | 120.0° |
| C11 | C12 | C13 | H14 | 58.7° | 58.3° |
| C12 | C11 | C19 | H19 | 51.0° | 60.1° |
| C12 | C11 | N10 | H36 | 68.6° | 119.1° |
| C12 | C13 | C17 | C14 | 120.6° | 118.7° |
| C12 | C13 | C17 | H14 | 121.8° | 122.5° |
| C12 | C13 | C14 | H14 | 123.0° | 122.7° |
| C12 | C13 | C17 | C16 | 137.7° | 143.5° |
| C12 | C13 | C14 | O18 | 50.7° | 45.2° |
| C12 | C13 | C14 | N15 | 130.3° | 134.9° |
| C13 | C12 | C11 | H11 | 58.7° | 56.7° |
| C13 | C12 | H12 | H13 | 118.7° | 120.0° |
| C12 | C13 | C17 | H17 | 18.2° | 25.4° |
| C12 | C13 | C17 | H18 | 102.7° | 98.4° |
| C17 | C13 | C14 | H14 | 117.6° | 118.7° |
| C13 | C17 | C16 | H17 | 119.5° | 118.1° |
| C13 | C17 | C16 | H18 | 119.5° | 118.1° |
| C17 | C13 | C14 | O18 | 170.1° | 163.8° |
| C17 | C13 | C14 | N15 | 10.9° | 16.2° |
| C13 | C17 | C16 | N15 | 17.4° | 25.5° |
| C17 | C13 | C12 | H12 | 176.4° | 175.8° |
| C17 | C13 | C12 | H13 | 57.3° | 55.8° |
| C13 | C17 | C16 | H15 | 136.7° | 144.4° |
| C13 | C17 | C16 | H16 | 101.8° | 93.6° |
| C13 | C17 | H17 | H18 | 121.3° | 123.8° |
| C14 | C13 | C17 | C16 | 17.2° | 24.8° |
| C13 | C14 | O18 | N15 | 178.8° | 179.9° |
| C13 | C14 | N15 | C16 | 0.0° | 0.5° |
| C14 | C13 | C12 | H12 | 61.3° | 61.0° |
| C14 | C13 | C12 | H13 | 57.8° | 59.0° |
| C14 | C13 | C17 | H17 | 102.3° | 93.3° |
| C14 | C13 | C17 | H18 | 136.7° | 142.9° |
| C13 | C14 | N15 | H37 | 180.0° | 179.6° |
| C17 | C16 | N15 | C14 | 11.1° | 17.1° |
| C17 | C16 | N15 | H15 | 119.3° | 119.0° |
| C17 | C16 | N15 | H16 | 119.3° | 119.1° |
| C16 | C17 | C13 | H14 | 100.4° | 94.0° |
| C17 | C16 | H15 | H16 | 122.2° | 122.0° |
| C16 | C17 | H17 | H18 | 121.4° | 123.8° |
| C17 | C16 | N15 | H37 | 168.9° | 163.0° |
| O18 | C14 | N15 | C16 | 179.0° | 179.5° |
| O18 | C14 | C13 | H14 | 72.2° | 77.5° |
| O18 | C14 | N15 | H37 | 1.0° | 0.4° |
| C14 | N15 | C16 | H37 | 180.0° | 179.9° |
| N15 | C14 | C13 | H14 | 106.7° | 102.4° |
| C14 | N15 | C16 | H15 | 130.3° | 136.0° |
| C14 | N15 | C16 | H16 | 108.2° | 102.0° |
| N15 | C16 | H15 | H16 | 122.2° | 122.0° |
| N15 | C16 | C17 | H17 | 102.1° | 92.6° |
| N15 | C16 | C17 | H18 | 136.9° | 143.5° |
| H1 | C04 | C05 | H2 | 62.5° | 64.3° |
| H1 | C04 | C05 | H3 | 178.1° | 175.7° |
| H1 | C04 | N03 | H35 | 117.1° | 142.6° |
| H2 | C05 | C06 | H4 | 177.9° | 173.6° |
| H3 | C05 | C06 | H4 | 62.7° | 66.3° |
| H4 | C06 | C07 | H5 | 63.5° | 176.3° |
| H4 | C06 | C07 | H6 | 56.5° | 56.3° |
| H4 | C06 | C07 | H7 | 176.5° | 63.7° |
| H4 | C06 | C08 | H8 | 63.6° | 180.0° |
| H4 | C06 | C08 | H9 | 176.4° | 60.0° |
| H4 | C06 | C08 | H10 | 56.4° | 60.0° |
| H5 | C07 | H6 | H7 | 120.0° | 120.0° |
| H8 | C08 | H9 | H10 | 120.0° | 120.0° |
| H11 | C11 | C12 | H12 | 179.1° | 176.7° |
| H11 | C11 | C12 | H13 | 61.7° | 63.3° |
| H11 | C11 | C19 | H19 | 68.1° | 179.9° |
| H11 | C11 | N10 | H36 | 171.3° | 0.9° |
| H12 | C12 | C13 | H14 | 61.7° | 61.7° |
| H13 | C12 | C13 | H14 | 179.2° | 178.3° |
| H14 | C13 | C17 | H17 | 140.0° | 147.9° |
| H14 | C13 | C17 | H18 | 19.1° | 24.1° |
| H15 | C16 | C17 | H17 | 17.1° | 26.3° |
| H15 | C16 | C17 | H18 | 103.8° | 97.5° |
| H15 | C16 | N15 | H37 | 49.7° | 44.1° |
| H16 | C16 | C17 | H17 | 138.6° | 148.3° |
| H16 | C16 | C17 | H18 | 17.7° | 24.5° |
| H16 | C16 | N15 | H37 | 71.8° | 77.9° |
| H19 | C19 | O20 | H38 | 58.9° | 60.0° |
| H19 | C19 | S1 | O1 | 53.9° | 65.8° |
| H19 | C19 | S1 | O2 | 113.7° | 55.3° |
| H19 | C19 | S1 | O3 | 113.7° | 173.1° |
| H20 | C23 | C24 | H22 | 84.2° | 90.7° |
| H21 | C23 | C24 | H22 | 157.1° | 149.3° |
| H22 | C24 | C25 | H23 | 149.7° | 145.0° |
| H22 | C24 | C34 | H33 | 144.3° | 0.0° |
| H22 | C24 | C34 | H34 | 3.8° | 145.0° |
| H23 | C25 | C26 | H24 | 8.0° | 154.4° |
| H23 | C25 | C34 | H33 | 6.9° | 145.1° |
| H23 | C25 | C34 | H34 | 147.3° | 0.0° |
| H24 | C26 | C27 | H25 | 79.8° | 180.0° |
| H24 | C26 | C27 | H26 | 160.4° | 60.0° |
| H24 | C26 | C31 | H31 | 165.2° | 60.0° |
| H24 | C26 | C31 | H32 | 75.0° | 180.0° |
| H25 | C27 | C28 | H27 | 62.3° | 60.0° |
| H25 | C27 | C28 | H28 | 57.7° | 180.0° |
| H26 | C27 | C28 | H27 | 177.9° | 60.0° |
| H26 | C27 | C28 | H28 | 62.1° | 60.0° |
| H29 | C30 | C31 | H31 | 54.7° | 59.9° |
| H29 | C30 | C31 | H32 | 65.1° | 60.0° |
| H30 | C30 | C31 | H31 | 174.2° | 60.1° |
| H30 | C30 | C31 | H32 | 54.3° | 180.0° |
| O1 | S1 | O2 | O3 | 90.0° | 117.5° |
| O1 | S1 | O2 | H39 | 90.0° | 55.0° |
| O1 | S1 | O3 | H40 | 90.0° | 179.5° |
| O2 | S1 | O3 | H40 | 90.0° | 62.9° |
| O3 | S1 | O2 | H39 | 90.0° | 62.5° |
