IRK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C06 | sing | 1.53Å | 1.54Å | |
| C29 | C28 | sing | 1.53Å | 1.55Å | |
| C06 | C07 | sing | 1.53Å | 1.55Å | |
| C06 | C05 | sing | 1.53Å | 1.55Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.55Å | |
| N03 | C04 | sing | 1.46Å | 1.44Å | |
| N03 | C02 | sing | 1.35Å | 1.46Å | |
| C04 | C09 | sing | 1.51Å | 1.52Å | |
| C26 | C24 | sing | 1.53Å | 1.54Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| O22 | C02 | sing | 1.35Å | 1.42Å | |
| O22 | C23 | sing | 1.45Å | 1.42Å | |
| C02 | O01 | doub | 1.22Å | 1.21Å | |
| C24 | C23 | sing | 1.53Å | 1.56Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C09 | O21 | doub | 1.21Å | 1.20Å | |
| C09 | N10 | sing | 1.35Å | 1.47Å | |
| N10 | C11 | sing | 1.46Å | 1.45Å | |
| O20 | C19 | sing | 1.43Å | 1.41Å | |
| C11 | C19 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.62Å | |
| C13 | C17 | sing | 1.55Å | 1.69Å | |
| C13 | C14 | sing | 1.51Å | 1.26Å | |
| C17 | C16 | sing | 1.54Å | 1.26Å | |
| C14 | O18 | doub | 1.21Å | 1.19Å | |
| C14 | N15 | sing | 1.34Å | 1.59Å | |
| C16 | N15 | sing | 1.47Å | 1.53Å | |
| 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 | 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 | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| N03 | H34 | sing | 0.97Å | 1.00Å | |
| N10 | H35 | sing | 0.97Å | 1.00Å | |
| N15 | H36 | sing | 0.97Å | 1.00Å | |
| O20 | H37 | sing | 0.97Å | 0.95Å | |
| C19 | S1 | sing | 1.81Å | 35.66Å | |
| S1 | O2 | sing | 1.52Å | 0.00Å | |
| S1 | O3 | doub | 1.42Å | 0.00Å | |
| S1 | O1 | doub | 1.42Å | 0.00Å | |
| O2 | H20 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | C06 | C07 | 110.6° | 109.5° |
| C08 | C06 | C05 | 109.5° | 109.5° |
| C08 | C06 | H4 | 108.4° | 109.4° |
| C06 | C08 | H8 | 109.5° | 109.5° |
| C06 | C08 | H9 | 109.5° | 109.5° |
| C06 | C08 | H10 | 109.5° | 109.5° |
| C29 | C28 | C27 | 111.7° | 109.5° |
| C29 | C28 | H29 | 108.9° | 109.4° |
| C29 | C28 | H30 | 108.9° | 109.5° |
| C28 | C29 | H31 | 109.5° | 109.5° |
| C28 | C29 | H32 | 109.5° | 109.5° |
| C28 | C29 | H33 | 109.5° | 109.4° |
| C07 | C06 | C05 | 111.7° | 109.5° |
| C07 | C06 | H4 | 108.3° | 109.5° |
| C06 | C07 | H5 | 109.5° | 109.5° |
| C06 | C07 | H6 | 109.4° | 109.5° |
| C06 | C07 | H7 | 109.5° | 109.5° |
| C06 | C05 | C04 | 111.8° | 109.5° |
| C06 | C05 | H2 | 108.9° | 109.4° |
| C06 | C05 | H3 | 108.9° | 109.4° |
| C05 | C06 | H4 | 108.3° | 109.4° |
| C28 | C27 | C26 | 110.2° | 109.5° |
| C28 | C27 | H27 | 109.3° | 109.4° |
| C28 | C27 | H28 | 109.3° | 109.5° |
| C27 | C28 | H29 | 108.9° | 109.5° |
| C27 | C28 | H30 | 108.9° | 109.5° |
| C05 | C04 | N03 | 110.8° | 109.5° |
| C05 | C04 | C09 | 109.6° | 109.4° |
| C05 | C04 | H1 | 109.1° | 109.4° |
| C04 | C05 | H2 | 108.9° | 109.5° |
| C04 | C05 | H3 | 108.9° | 109.5° |
| C27 | C26 | C24 | 117.8° | 117.5° |
| C27 | C26 | C25 | 117.1° | 117.4° |
| C27 | C26 | H26 | 116.5° | 115.6° |
| C26 | C27 | H27 | 109.3° | 109.5° |
| C26 | C27 | H28 | 109.3° | 109.5° |
| C04 | N03 | C02 | 119.1° | 120.0° |
| N03 | C04 | C09 | 107.8° | 109.5° |
| N03 | C04 | H1 | 110.4° | 109.5° |
| C04 | N03 | H34 | 120.5° | 120.1° |
| N03 | C02 | O22 | 116.7° | 120.0° |
| N03 | C02 | O01 | 121.1° | 120.0° |
| C02 | N03 | H34 | 120.5° | 120.0° |
| C04 | C09 | O21 | 122.7° | 119.9° |
| C04 | C09 | N10 | 115.6° | 120.0° |
| C09 | C04 | H1 | 109.2° | 109.5° |
| C24 | C26 | C25 | 60.2° | 60.0° |
| C26 | C24 | C23 | 120.0° | 117.5° |
| C26 | C24 | C25 | 59.8° | 60.0° |
| C26 | C24 | H23 | 117.3° | 117.5° |
| C24 | C26 | H26 | 116.7° | 117.5° |
| C26 | C25 | C24 | 60.0° | 60.0° |
| C26 | C25 | H24 | 120.0° | 117.5° |
| C26 | C25 | H25 | 120.0° | 117.5° |
| C25 | C26 | H26 | 116.8° | 117.5° |
| C02 | O22 | C23 | 113.1° | 117.0° |
| O22 | C02 | O01 | 122.2° | 120.0° |
| O22 | C23 | C24 | 111.0° | 109.4° |
| O22 | C23 | H21 | 109.1° | 109.4° |
| O22 | C23 | H22 | 109.1° | 109.5° |
| C23 | C24 | C25 | 112.8° | 117.5° |
| C24 | C23 | H21 | 109.1° | 109.4° |
| C24 | C23 | H22 | 109.1° | 109.5° |
| C23 | C24 | H23 | 116.9° | 115.6° |
| C25 | C24 | H23 | 117.2° | 117.5° |
| C24 | C25 | H24 | 120.0° | 117.5° |
| C24 | C25 | H25 | 120.0° | 117.5° |
| O21 | C09 | N10 | 121.7° | 120.0° |
| C09 | N10 | C11 | 121.4° | 120.0° |
| C09 | N10 | H35 | 119.4° | 120.0° |
| N10 | C11 | C19 | 108.8° | 109.5° |
| N10 | C11 | C12 | 109.0° | 109.5° |
| N10 | C11 | H11 | 110.3° | 109.5° |
| C11 | N10 | H35 | 119.3° | 120.0° |
| O20 | C19 | C11 | 109.0° | 109.4° |
| O20 | C19 | H19 | 127.0° | 109.5° |
| C19 | O20 | H37 | 109.5° | 114.0° |
| O20 | C19 | S1 | 126.2° | 109.5° |
| C19 | C11 | C12 | 110.2° | 109.5° |
| C19 | C11 | H11 | 109.4° | 109.4° |
| C11 | C19 | H19 | 123.9° | 109.4° |
| C11 | C19 | S1 | 49.7° | 109.5° |
| C11 | C12 | C13 | 113.1° | 109.5° |
| C12 | C11 | H11 | 109.1° | 109.5° |
| C11 | C12 | H12 | 108.5° | 109.5° |
| C11 | C12 | H13 | 108.5° | 109.5° |
| C12 | C13 | C17 | 109.0° | 110.5° |
| C12 | C13 | C14 | 112.4° | 110.5° |
| C13 | C12 | H12 | 108.6° | 109.4° |
| C13 | C12 | H13 | 108.6° | 109.5° |
| C12 | C13 | H14 | 107.8° | 110.4° |
| C17 | C13 | C14 | 107.2° | 104.2° |
| C13 | C17 | C16 | 106.7° | 101.8° |
| C17 | C13 | H14 | 107.0° | 110.5° |
| C13 | C17 | H17 | 110.2° | 111.0° |
| C13 | C17 | H18 | 110.1° | 111.0° |
| C13 | C14 | O18 | 129.5° | 124.9° |
| C13 | C14 | N15 | 106.4° | 110.1° |
| C14 | C13 | H14 | 113.2° | 110.6° |
| C17 | C16 | N15 | 106.4° | 105.4° |
| C17 | C16 | H15 | 110.2° | 110.3° |
| C17 | C16 | H16 | 110.2° | 110.3° |
| C16 | C17 | H17 | 110.2° | 110.9° |
| C16 | C17 | H18 | 110.2° | 111.0° |
| O18 | C14 | N15 | 124.0° | 124.9° |
| C14 | N15 | C16 | 106.0° | 111.3° |
| C14 | N15 | H36 | 127.0° | 124.4° |
| N15 | C16 | H15 | 110.3° | 110.3° |
| N15 | C16 | H16 | 110.2° | 110.2° |
| C16 | N15 | H36 | 127.0° | 124.3° |
| H2 | C05 | H3 | 109.4° | 109.5° |
| H5 | C07 | H6 | 109.5° | 109.5° |
| H5 | C07 | H7 | 109.5° | 109.4° |
| H6 | C07 | H7 | 109.5° | 109.4° |
| H8 | C08 | H9 | 109.5° | 109.5° |
| H8 | C08 | H10 | 109.5° | 109.4° |
| H9 | C08 | H10 | 109.4° | 109.4° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.5° | 110.3° |
| H17 | C17 | H18 | 109.4° | 110.9° |
| H19 | C19 | S1 | 91.4° | 109.5° |
| H21 | C23 | H22 | 109.5° | 109.5° |
| H24 | C25 | H25 | 109.4° | 115.6° |
| H27 | C27 | H28 | 109.5° | 109.5° |
| H29 | C28 | H30 | 109.4° | 109.5° |
| H31 | C29 | H32 | 109.4° | 109.5° |
| H31 | C29 | H33 | 109.5° | 109.5° |
| H32 | C29 | H33 | 109.5° | 109.4° |
| C19 | S1 | O2 | 90.0° | 104.5° |
| C19 | S1 | O3 | 90.0° | 110.5° |
| C19 | S1 | O1 | 90.0° | 110.5° |
| O2 | S1 | O3 | 90.0° | 104.2° |
| O2 | S1 | O1 | 90.0° | 104.3° |
| S1 | O2 | H20 | 90.0° | 114.0° |
| O3 | S1 | O1 | 90.0° | 121.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | C06 | C07 | C05 | 122.2° | 120.0° |
| C08 | C06 | C07 | H4 | 118.6° | 120.0° |
| C08 | C06 | C05 | H4 | 118.0° | 119.9° |
| C08 | C06 | C05 | C04 | 166.6° | 65.0° |
| C08 | C06 | C05 | H2 | 73.0° | 175.0° |
| C08 | C06 | C05 | H3 | 46.2° | 55.0° |
| C08 | C06 | C07 | H5 | 180.0° | 60.0° |
| C08 | C06 | C07 | H6 | 60.0° | 60.0° |
| C08 | C06 | C07 | H7 | 60.0° | 180.0° |
| C06 | C08 | H8 | H9 | 120.0° | 120.1° |
| C06 | C08 | H8 | H10 | 120.0° | 120.0° |
| C06 | C08 | H9 | H10 | 120.0° | 120.0° |
| C29 | C28 | C27 | H29 | 120.4° | 120.0° |
| C29 | C28 | C27 | H30 | 120.4° | 120.0° |
| C29 | C28 | C27 | C26 | 61.9° | 180.0° |
| C29 | C28 | C27 | H27 | 58.1° | 60.0° |
| C29 | C28 | C27 | H28 | 177.9° | 60.0° |
| C29 | C28 | H29 | H30 | 119.0° | 120.0° |
| C28 | C29 | H31 | H32 | 120.0° | 120.0° |
| C28 | C29 | H31 | H33 | 120.0° | 120.0° |
| C28 | C29 | H32 | H33 | 120.0° | 119.9° |
| C07 | C06 | C05 | H4 | 119.2° | 120.1° |
| C07 | C06 | C05 | C04 | 70.5° | 175.0° |
| C07 | C06 | C05 | H2 | 49.8° | 55.0° |
| C07 | C06 | C05 | H3 | 169.1° | 65.0° |
| C06 | C07 | H5 | H6 | 120.0° | 120.0° |
| C06 | C07 | H5 | H7 | 120.0° | 120.0° |
| C06 | C07 | H6 | H7 | 120.0° | 120.0° |
| C07 | C06 | C08 | H8 | 180.0° | 180.0° |
| C07 | C06 | C08 | H9 | 60.0° | 60.0° |
| C07 | C06 | C08 | H10 | 60.0° | 60.0° |
| C06 | C05 | C04 | H2 | 120.4° | 120.0° |
| C06 | C05 | C04 | H3 | 120.3° | 120.0° |
| C06 | C05 | C04 | N03 | 65.4° | 65.1° |
| C06 | C05 | C04 | C09 | 175.8° | 175.0° |
| C06 | C05 | C04 | H1 | 56.3° | 55.0° |
| C06 | C05 | H2 | H3 | 118.9° | 119.9° |
| C05 | C06 | C07 | H5 | 57.8° | 60.0° |
| C05 | C06 | C07 | H6 | 177.8° | 180.0° |
| C05 | C06 | C07 | H7 | 62.2° | 60.0° |
| C05 | C06 | C08 | H8 | 56.5° | 59.9° |
| C05 | C06 | C08 | H9 | 63.5° | 180.0° |
| C05 | C06 | C08 | H10 | 176.5° | 60.0° |
| C28 | C27 | C26 | H27 | 120.1° | 119.9° |
| C28 | C27 | C26 | H28 | 120.1° | 120.0° |
| C28 | C27 | C26 | C24 | 92.3° | 175.0° |
| C28 | C27 | C26 | C25 | 161.1° | 116.4° |
| C28 | C27 | C26 | H26 | 53.8° | 29.3° |
| C28 | C27 | H27 | H28 | 119.7° | 120.0° |
| C27 | C28 | H29 | H30 | 118.9° | 120.0° |
| C27 | C28 | C29 | H31 | 180.0° | 180.0° |
| C27 | C28 | C29 | H32 | 60.0° | 60.0° |
| C27 | C28 | C29 | H33 | 60.0° | 59.9° |
| C05 | C04 | N03 | C09 | 119.9° | 119.9° |
| C05 | C04 | N03 | H1 | 121.0° | 120.0° |
| C05 | C04 | N03 | C02 | 177.2° | 85.0° |
| C05 | C04 | C09 | H1 | 119.5° | 119.9° |
| C05 | C04 | C09 | O21 | 81.0° | 120.0° |
| C05 | C04 | C09 | N10 | 100.0° | 60.0° |
| C04 | C05 | H2 | H3 | 118.9° | 120.0° |
| C04 | C05 | C06 | H4 | 48.6° | 55.0° |
| C05 | C04 | N03 | H34 | 2.8° | 95.0° |
| C27 | C26 | C24 | C25 | 107.0° | 107.4° |
| C27 | C26 | C24 | H26 | 146.0° | 145.1° |
| C27 | C26 | C25 | H26 | 145.0° | 145.0° |
| C27 | C26 | C24 | C23 | 6.5° | 0.1° |
| C27 | C26 | C24 | H23 | 145.9° | 145.1° |
| C27 | C26 | C25 | H24 | 142.5° | 0.0° |
| C27 | C26 | C25 | H25 | 1.4° | 145.0° |
| C26 | C27 | H27 | H28 | 119.6° | 120.1° |
| C26 | C27 | C28 | H29 | 177.7° | 60.1° |
| C26 | C27 | C28 | H30 | 58.4° | 60.0° |
| C04 | N03 | C02 | H34 | 180.0° | 180.0° |
| N03 | C04 | C09 | H1 | 119.9° | 120.1° |
| C04 | N03 | C02 | O22 | 169.2° | 179.7° |
| C04 | N03 | C02 | O01 | 9.4° | 0.0° |
| N03 | C04 | C09 | O21 | 39.6° | 0.1° |
| N03 | C04 | C09 | N10 | 139.4° | 180.0° |
| N03 | C04 | C05 | H2 | 174.2° | 55.0° |
| N03 | C04 | C05 | H3 | 54.9° | 175.0° |
| C02 | N03 | C04 | C09 | 62.9° | 155.0° |
| N03 | C02 | O22 | O01 | 178.6° | 179.7° |
| N03 | C02 | O22 | C23 | 168.8° | 179.8° |
| C02 | N03 | C04 | H1 | 56.2° | 35.0° |
| C04 | C09 | O21 | N10 | 179.0° | 179.9° |
| C04 | C09 | N10 | C11 | 178.7° | 175.0° |
| C09 | C04 | C05 | H2 | 55.4° | 65.0° |
| C09 | C04 | C05 | H3 | 63.9° | 55.0° |
| C09 | C04 | N03 | H34 | 117.1° | 24.9° |
| C04 | C09 | N10 | H35 | 1.4° | 5.0° |
| C24 | C26 | C25 | H26 | 106.9° | 107.5° |
| C26 | C24 | C23 | O22 | 77.0° | 175.0° |
| C26 | C24 | C23 | C25 | 67.2° | 68.7° |
| C26 | C24 | C23 | H23 | 152.5° | 145.7° |
| C26 | C24 | C25 | H23 | 107.3° | 107.5° |
| C26 | C24 | C23 | H21 | 43.2° | 65.1° |
| C26 | C24 | C23 | H22 | 162.8° | 55.0° |
| C24 | C26 | C25 | H24 | 109.5° | 107.5° |
| C24 | C26 | C25 | H25 | 109.5° | 107.5° |
| C24 | C26 | C27 | H27 | 147.6° | 55.1° |
| C24 | C26 | C27 | H28 | 27.9° | 65.0° |
| C26 | C25 | H24 | H25 | 144.7° | 145.7° |
| C25 | C26 | C27 | H27 | 78.8° | 123.6° |
| C25 | C26 | C27 | H28 | 40.9° | 3.6° |
| C02 | O22 | C23 | C24 | 174.8° | 180.0° |
| C02 | O22 | C23 | H21 | 64.9° | 60.1° |
| C02 | O22 | C23 | H22 | 54.6° | 60.0° |
| O22 | C02 | N03 | H34 | 10.8° | 0.3° |
| C23 | O22 | C02 | O01 | 9.8° | 0.1° |
| O22 | C23 | C24 | H21 | 120.2° | 119.9° |
| O22 | C23 | C24 | H22 | 120.2° | 120.0° |
| O22 | C23 | C24 | C25 | 144.2° | 116.3° |
| O22 | C23 | H21 | H22 | 119.3° | 120.0° |
| O22 | C23 | C24 | H23 | 75.5° | 29.3° |
| O01 | C02 | N03 | H34 | 170.6° | 180.0° |
| C23 | C24 | C25 | H23 | 140.2° | 145.0° |
| C24 | C23 | H21 | H22 | 119.3° | 120.0° |
| C23 | C24 | C25 | H24 | 138.0° | 0.0° |
| C23 | C24 | C25 | H25 | 3.0° | 145.0° |
| C23 | C24 | C26 | H26 | 152.5° | 145.0° |
| C25 | C24 | C23 | H21 | 23.9° | 3.6° |
| C25 | C24 | C23 | H22 | 95.6° | 123.6° |
| C24 | C25 | H24 | H25 | 144.7° | 145.7° |
| O21 | C09 | N10 | C11 | 0.4° | 5.1° |
| O21 | C09 | C04 | H1 | 159.5° | 120.0° |
| O21 | C09 | N10 | H35 | 179.6° | 174.9° |
| C09 | N10 | C11 | H35 | 180.0° | 180.0° |
| C09 | N10 | C11 | C19 | 121.7° | 62.6° |
| C09 | N10 | C11 | C12 | 118.2° | 57.4° |
| N10 | C09 | C04 | H1 | 19.5° | 59.9° |
| C09 | N10 | C11 | H11 | 1.6° | 177.4° |
| N10 | C11 | C19 | O20 | 62.5° | 179.2° |
| N10 | C11 | C19 | C12 | 119.5° | 120.0° |
| N10 | C11 | C19 | H11 | 120.6° | 120.0° |
| N10 | C11 | C12 | H11 | 120.5° | 120.0° |
| N10 | C11 | C12 | C13 | 68.3° | 63.5° |
| N10 | C11 | C12 | H12 | 52.2° | 56.4° |
| N10 | C11 | C12 | H13 | 171.1° | 176.4° |
| N10 | C11 | C19 | H19 | 117.1° | 59.2° |
| N10 | C11 | C19 | S1 | 59.3° | 60.8° |
| O20 | C19 | C11 | H19 | 179.5° | 120.0° |
| O20 | C19 | C11 | S1 | 121.7° | 120.0° |
| O20 | C19 | C11 | C12 | 178.1° | 59.2° |
| O20 | C19 | C11 | H11 | 58.1° | 60.8° |
| O20 | C19 | H19 | S1 | 139.2° | 120.0° |
| O20 | C19 | S1 | O2 | 90.0° | 178.7° |
| O20 | C19 | S1 | O3 | 90.0° | 69.8° |
| O20 | C19 | S1 | O1 | 90.0° | 67.0° |
| C19 | C11 | C12 | H11 | 120.1° | 120.0° |
| C19 | C11 | C12 | C13 | 172.3° | 176.5° |
| C19 | C11 | C12 | H12 | 67.1° | 63.6° |
| C19 | C11 | C12 | H13 | 51.8° | 56.4° |
| C11 | C19 | H19 | S1 | 40.2° | 120.0° |
| C19 | C11 | N10 | H35 | 58.3° | 117.4° |
| C11 | C19 | O20 | H37 | 180.0° | 60.0° |
| C11 | C19 | S1 | O2 | 90.0° | 61.3° |
| C11 | C19 | S1 | O3 | 90.0° | 50.2° |
| C11 | C19 | S1 | O1 | 90.0° | 173.0° |
| C11 | C12 | C13 | H12 | 120.5° | 120.0° |
| C11 | C12 | C13 | H13 | 120.5° | 120.0° |
| C11 | C12 | C13 | C17 | 59.7° | 65.6° |
| C11 | C12 | C13 | C14 | 178.4° | 179.6° |
| C11 | C12 | H12 | H13 | 118.3° | 120.0° |
| C11 | C12 | C13 | H14 | 56.1° | 57.0° |
| C12 | C11 | C19 | H19 | 2.4° | 60.8° |
| C12 | C11 | N10 | H35 | 61.9° | 122.6° |
| C12 | C11 | C19 | S1 | 60.2° | 179.2° |
| C12 | C13 | C17 | C14 | 122.0° | 118.7° |
| C12 | C13 | C17 | H14 | 116.3° | 122.5° |
| C12 | C13 | C14 | H14 | 122.5° | 122.6° |
| C12 | C13 | C17 | C16 | 149.9° | 143.5° |
| C12 | C13 | C14 | O18 | 48.6° | 45.1° |
| C12 | C13 | C14 | N15 | 134.5° | 134.9° |
| C13 | C12 | C11 | H11 | 52.2° | 56.5° |
| C13 | C12 | H12 | H13 | 118.3° | 120.0° |
| C12 | C13 | C17 | H17 | 30.3° | 25.3° |
| C12 | C13 | C17 | H18 | 90.5° | 98.4° |
| C17 | C13 | C14 | H14 | 117.8° | 118.7° |
| C13 | C17 | C16 | H17 | 119.6° | 118.1° |
| C13 | C17 | C16 | H18 | 119.6° | 118.2° |
| C17 | C13 | C14 | O18 | 168.4° | 163.8° |
| C17 | C13 | C14 | N15 | 14.8° | 16.2° |
| C13 | C17 | C16 | N15 | 25.2° | 25.4° |
| C17 | C13 | C12 | H12 | 179.8° | 174.4° |
| C17 | C13 | C12 | H13 | 60.8° | 54.4° |
| C13 | C17 | C16 | H15 | 144.7° | 144.4° |
| C13 | C17 | C16 | H16 | 94.4° | 93.6° |
| C13 | C17 | H17 | H18 | 121.2° | 123.8° |
| C14 | C13 | C17 | C16 | 28.0° | 24.8° |
| C13 | C14 | O18 | N15 | 176.4° | 180.0° |
| C13 | C14 | N15 | C16 | 1.3° | 0.4° |
| C14 | C13 | C12 | H12 | 61.0° | 59.6° |
| C14 | C13 | C12 | H13 | 57.9° | 60.4° |
| C14 | C13 | C17 | H17 | 91.6° | 93.3° |
| C14 | C13 | C17 | H18 | 147.5° | 142.9° |
| C13 | C14 | N15 | H36 | 178.8° | 179.5° |
| C17 | C16 | N15 | C14 | 17.5° | 17.0° |
| C17 | C16 | N15 | H15 | 119.5° | 119.0° |
| C17 | C16 | N15 | H16 | 119.5° | 119.0° |
| C16 | C17 | C13 | H14 | 93.8° | 94.0° |
| C17 | C16 | H15 | H16 | 121.4° | 122.1° |
| C16 | C17 | H17 | H18 | 121.3° | 123.8° |
| C17 | C16 | N15 | H36 | 162.4° | 162.9° |
| O18 | C14 | N15 | C16 | 178.3° | 179.6° |
| O18 | C14 | C13 | H14 | 73.9° | 77.5° |
| O18 | C14 | N15 | H36 | 1.7° | 0.5° |
| C14 | N15 | C16 | H36 | 180.0° | 179.9° |
| N15 | C14 | C13 | H14 | 103.0° | 102.5° |
| C14 | N15 | C16 | H15 | 137.0° | 136.0° |
| C14 | N15 | C16 | H16 | 102.0° | 102.1° |
| N15 | C16 | H15 | H16 | 121.4° | 121.9° |
| N15 | C16 | C17 | H17 | 94.4° | 92.7° |
| N15 | C16 | C17 | H18 | 144.8° | 143.6° |
| H1 | C04 | C05 | H2 | 64.1° | 175.0° |
| H1 | C04 | C05 | H3 | 176.6° | 65.0° |
| H1 | C04 | N03 | H34 | 123.8° | 145.0° |
| H2 | C05 | C06 | H4 | 169.0° | 65.1° |
| H3 | C05 | C06 | H4 | 71.7° | 175.0° |
| H4 | C06 | C07 | H5 | 61.4° | 180.0° |
| H4 | C06 | C07 | H6 | 58.6° | 60.0° |
| H4 | C06 | C07 | H7 | 178.6° | 60.0° |
| H4 | C06 | C08 | H8 | 61.4° | 60.0° |
| H4 | C06 | C08 | H9 | 178.5° | 60.1° |
| H4 | C06 | C08 | H10 | 58.6° | 180.0° |
| H5 | C07 | H6 | H7 | 120.0° | 119.9° |
| H8 | C08 | H9 | H10 | 120.0° | 119.9° |
| H11 | C11 | C12 | H12 | 172.7° | 176.5° |
| H11 | C11 | C12 | H13 | 68.3° | 63.5° |
| H11 | C11 | C19 | H19 | 122.3° | 179.2° |
| H11 | C11 | N10 | H35 | 178.4° | 2.5° |
| H11 | C11 | C19 | S1 | 179.8° | 59.2° |
| H12 | C12 | C13 | H14 | 64.4° | 63.0° |
| H13 | C12 | C13 | H14 | 176.6° | 177.0° |
| H14 | C13 | C17 | H17 | 146.7° | 147.9° |
| H14 | C13 | C17 | H18 | 25.8° | 24.2° |
| H15 | C16 | C17 | H17 | 25.1° | 26.3° |
| H15 | C16 | C17 | H18 | 95.7° | 97.4° |
| H15 | C16 | N15 | H36 | 42.9° | 43.9° |
| H16 | C16 | C17 | H17 | 146.1° | 148.3° |
| H16 | C16 | C17 | H18 | 25.2° | 24.6° |
| H16 | C16 | N15 | H36 | 78.0° | 78.0° |
| H19 | C19 | O20 | H37 | 0.5° | 59.9° |
| H19 | C19 | S1 | O2 | 90.0° | 58.6° |
| H19 | C19 | S1 | O3 | 90.0° | 170.2° |
| H19 | C19 | S1 | O1 | 90.0° | 53.1° |
| H21 | C23 | C24 | H23 | 164.3° | 149.2° |
| H22 | C23 | C24 | H23 | 44.7° | 90.7° |
| H23 | C24 | C25 | H24 | 2.2° | 145.0° |
| H23 | C24 | C25 | H25 | 143.3° | 0.0° |
| H23 | C24 | C26 | H26 | 0.1° | 0.0° |
| H24 | C25 | C26 | H26 | 2.6° | 145.0° |
| H25 | C25 | C26 | H26 | 143.6° | 0.0° |
| H26 | C26 | C27 | H27 | 66.3° | 90.7° |
| H26 | C26 | C27 | H28 | 173.9° | 149.3° |
| H27 | C27 | C28 | H29 | 62.2° | 180.0° |
| H27 | C27 | C28 | H30 | 178.5° | 60.0° |
| H28 | C27 | C28 | H29 | 57.6° | 60.0° |
| H28 | C27 | C28 | H30 | 61.7° | 180.0° |
| H29 | C28 | C29 | H31 | 59.6° | 60.0° |
| H29 | C28 | C29 | H32 | 60.3° | 180.0° |
| H29 | C28 | C29 | H33 | 179.6° | 60.1° |
| H30 | C28 | C29 | H31 | 59.7° | 60.0° |
| H30 | C28 | C29 | H32 | 179.6° | 60.0° |
| H30 | C28 | C29 | H33 | 60.4° | 180.0° |
| H31 | C29 | H32 | H33 | 120.0° | 120.0° |
| H37 | O20 | C19 | S1 | 126.5° | 180.0° |
| C19 | S1 | O2 | O3 | 90.0° | 116.0° |
| C19 | S1 | O2 | O1 | 90.0° | 116.1° |
| C19 | S1 | O3 | O1 | 90.0° | 131.5° |
| C19 | S1 | O2 | H20 | 90.0° | 180.0° |
| O2 | S1 | O3 | O1 | 90.0° | 116.8° |
| O3 | S1 | O2 | H20 | 90.0° | 64.0° |
| O1 | S1 | O2 | H20 | 90.0° | 63.8° |
