YMS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | C14 | doub | 1.21Å | 1.18Å | |
| C14 | N15 | sing | 1.34Å | 1.35Å | |
| C14 | C13 | sing | 1.51Å | 1.59Å | |
| N15 | C16 | sing | 1.47Å | 1.58Å | |
| C12 | C13 | sing | 1.53Å | 1.47Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C13 | C17 | sing | 1.55Å | 1.52Å | |
| C19 | C11 | sing | 1.53Å | 1.54Å | |
| C19 | O20 | sing | 1.43Å | 1.40Å | |
| C16 | C17 | sing | 1.55Å | 1.38Å | |
| C11 | N10 | sing | 1.46Å | 1.45Å | |
| N10 | C09 | sing | 1.35Å | 1.44Å | |
| O01 | C02 | doub | 1.22Å | 1.19Å | |
| C09 | C04 | sing | 1.51Å | 1.52Å | |
| C09 | O21 | doub | 1.21Å | 1.18Å | |
| C08 | C06 | sing | 1.53Å | 1.52Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| C04 | N03 | sing | 1.46Å | 1.44Å | |
| C02 | N03 | sing | 1.35Å | 1.44Å | |
| C02 | O22 | sing | 1.35Å | 1.39Å | |
| C29 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | O22 | sing | 1.45Å | 1.40Å | |
| C23 | C34 | sing | 1.53Å | 1.53Å | |
| C05 | C06 | sing | 1.53Å | 1.52Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C33 | C26 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.51Å | 1.54Å | |
| C27 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| 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 | S1 | sing | 1.81Å | 1.07Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | 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 | |
| C28 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H31 | sing | 1.08Å | 1.08Å | |
| C33 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H35 | sing | 1.09Å | 1.10Å | |
| N03 | H36 | sing | 0.97Å | 1.00Å | |
| N10 | H37 | sing | 0.97Å | 1.00Å | |
| N15 | H38 | sing | 0.97Å | 1.00Å | |
| O20 | H39 | sing | 0.97Å | 0.95Å | |
| S1 | O1 | doub | 1.42Å | 20.72Å | |
| S1 | O2 | doub | 1.42Å | 20.72Å | |
| S1 | O3 | sing | 1.52Å | 20.72Å | |
| O3 | H19 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | C14 | N15 | 127.4° | 125.0° |
| O18 | C14 | C13 | 126.3° | 124.9° |
| N15 | C14 | C13 | 106.3° | 110.1° |
| C14 | N15 | C16 | 108.4° | 111.3° |
| C14 | N15 | H38 | 125.8° | 124.3° |
| C14 | C13 | C12 | 109.9° | 110.5° |
| C14 | C13 | C17 | 102.9° | 104.2° |
| C14 | C13 | H14 | 109.8° | 110.6° |
| N15 | C16 | C17 | 105.9° | 105.5° |
| N15 | C16 | H15 | 110.3° | 110.2° |
| N15 | C16 | H16 | 110.3° | 110.3° |
| C16 | N15 | H38 | 125.8° | 124.4° |
| C13 | C12 | C11 | 112.1° | 109.5° |
| C12 | C13 | C17 | 111.5° | 110.5° |
| C13 | C12 | H12 | 108.8° | 109.4° |
| C13 | C12 | H13 | 108.8° | 109.4° |
| C12 | C13 | H14 | 111.6° | 110.4° |
| C12 | C11 | C19 | 113.3° | 109.5° |
| C12 | C11 | N10 | 108.4° | 109.4° |
| C12 | C11 | H11 | 108.5° | 109.4° |
| C11 | C12 | H12 | 108.8° | 109.5° |
| C11 | C12 | H13 | 108.8° | 109.5° |
| C13 | C17 | C16 | 104.9° | 101.8° |
| C17 | C13 | H14 | 110.9° | 110.5° |
| C13 | C17 | H17 | 110.6° | 111.0° |
| C13 | C17 | H18 | 110.6° | 111.0° |
| C11 | C19 | O20 | 106.7° | 109.5° |
| C19 | C11 | N10 | 108.9° | 109.5° |
| C19 | C11 | H11 | 108.3° | 109.5° |
| C11 | C19 | S1 | 110.8° | 109.5° |
| C11 | C19 | H20 | 106.4° | 109.5° |
| O20 | C19 | S1 | 110.8° | 109.5° |
| O20 | C19 | H20 | 108.0° | 109.4° |
| C19 | O20 | H39 | 109.5° | 114.0° |
| C17 | C16 | H15 | 110.4° | 110.3° |
| C17 | C16 | H16 | 110.3° | 110.2° |
| C16 | C17 | H17 | 110.6° | 110.9° |
| C16 | C17 | H18 | 110.6° | 111.0° |
| C11 | N10 | C09 | 119.2° | 120.0° |
| N10 | C11 | H11 | 109.5° | 109.5° |
| C11 | N10 | H37 | 120.4° | 120.0° |
| N10 | C09 | C04 | 119.3° | 120.0° |
| N10 | C09 | O21 | 120.7° | 119.9° |
| C09 | N10 | H37 | 120.4° | 120.0° |
| O01 | C02 | N03 | 121.0° | 120.0° |
| O01 | C02 | O22 | 122.8° | 120.0° |
| C04 | C09 | O21 | 120.0° | 120.0° |
| C09 | C04 | C05 | 109.8° | 109.5° |
| C09 | C04 | N03 | 108.3° | 109.5° |
| C09 | C04 | H1 | 109.6° | 109.5° |
| C08 | C06 | C05 | 110.4° | 109.5° |
| C08 | C06 | C07 | 109.4° | 109.5° |
| C08 | C06 | H4 | 108.7° | 109.5° |
| C06 | C08 | H8 | 109.5° | 109.5° |
| C06 | C08 | H9 | 109.5° | 109.5° |
| C06 | C08 | H10 | 109.5° | 109.5° |
| C05 | C04 | N03 | 108.8° | 109.5° |
| C04 | C05 | C06 | 111.4° | 109.5° |
| C05 | C04 | H1 | 109.5° | 109.5° |
| C04 | C05 | H2 | 109.0° | 109.5° |
| C04 | C05 | H3 | 109.0° | 109.5° |
| C04 | N03 | C02 | 119.6° | 120.1° |
| N03 | C04 | H1 | 110.8° | 109.4° |
| C04 | N03 | H36 | 120.2° | 120.0° |
| N03 | C02 | O22 | 116.1° | 120.0° |
| C02 | N03 | H36 | 120.2° | 120.0° |
| C02 | O22 | C23 | 118.2° | 117.0° |
| C28 | C29 | C30 | 119.8° | 120.0° |
| C29 | C28 | C27 | 120.4° | 120.0° |
| C29 | C28 | H27 | 119.8° | 120.0° |
| C28 | C29 | H28 | 120.1° | 120.0° |
| C29 | C30 | C31 | 120.1° | 120.0° |
| C30 | C29 | H28 | 120.1° | 120.0° |
| C29 | C30 | H29 | 119.9° | 120.0° |
| C28 | C27 | C26 | 121.4° | 120.0° |
| C28 | C27 | C32 | 119.5° | 120.0° |
| C27 | C28 | H27 | 119.8° | 120.0° |
| C24 | C25 | C26 | 110.8° | 109.5° |
| C25 | C24 | C23 | 112.5° | 109.4° |
| C25 | C24 | H22 | 108.7° | 109.5° |
| C25 | C24 | H23 | 108.7° | 109.5° |
| C24 | C25 | H24 | 109.1° | 109.5° |
| C24 | C25 | H25 | 109.1° | 109.5° |
| C25 | C26 | C33 | 109.0° | 109.5° |
| C25 | C26 | C27 | 111.7° | 109.5° |
| C26 | C25 | H24 | 109.1° | 109.5° |
| C26 | C25 | H25 | 109.1° | 109.4° |
| C25 | C26 | H26 | 108.5° | 109.5° |
| C24 | C23 | O22 | 108.7° | 109.4° |
| C24 | C23 | C34 | 113.4° | 109.5° |
| C24 | C23 | H21 | 108.9° | 109.5° |
| C23 | C24 | H22 | 108.7° | 109.5° |
| C23 | C24 | H23 | 108.7° | 109.5° |
| O22 | C23 | C34 | 106.2° | 109.5° |
| O22 | C23 | H21 | 110.7° | 109.4° |
| C23 | C34 | C33 | 112.1° | 109.5° |
| C34 | C23 | H21 | 108.9° | 109.5° |
| C23 | C34 | H34 | 108.8° | 109.5° |
| C23 | C34 | H35 | 108.8° | 109.5° |
| C05 | C06 | C07 | 111.1° | 109.4° |
| C06 | C05 | H2 | 109.0° | 109.4° |
| C06 | C05 | H3 | 109.0° | 109.5° |
| C05 | C06 | H4 | 108.6° | 109.4° |
| C07 | C06 | H4 | 108.6° | 109.5° |
| C06 | C07 | H5 | 109.5° | 109.5° |
| C06 | C07 | H6 | 109.5° | 109.4° |
| C06 | C07 | H7 | 109.5° | 109.5° |
| C30 | C31 | C32 | 120.1° | 120.0° |
| C31 | C30 | H29 | 120.0° | 120.0° |
| C30 | C31 | H30 | 120.0° | 120.0° |
| C34 | C33 | C26 | 110.5° | 109.5° |
| C34 | C33 | H32 | 109.2° | 109.5° |
| C34 | C33 | H33 | 109.2° | 109.5° |
| C33 | C34 | H34 | 108.8° | 109.4° |
| C33 | C34 | H35 | 108.8° | 109.5° |
| C33 | C26 | C27 | 110.8° | 109.5° |
| C33 | C26 | H26 | 108.4° | 109.5° |
| C26 | C33 | H32 | 109.2° | 109.5° |
| C26 | C33 | H33 | 109.2° | 109.5° |
| C26 | C27 | C32 | 119.1° | 120.1° |
| C27 | C26 | H26 | 108.3° | 109.4° |
| C27 | C32 | C31 | 120.1° | 120.0° |
| C27 | C32 | H31 | 119.9° | 120.0° |
| C32 | C31 | H30 | 119.9° | 120.0° |
| C31 | C32 | H31 | 120.0° | 120.0° |
| H2 | C05 | H3 | 109.5° | 109.4° |
| H5 | C07 | H6 | 109.5° | 109.5° |
| H5 | C07 | H7 | 109.5° | 109.5° |
| H6 | C07 | H7 | 109.4° | 109.4° |
| H8 | C08 | H9 | 109.4° | 109.5° |
| H8 | C08 | H10 | 109.5° | 109.4° |
| H9 | C08 | H10 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.4° | 109.5° |
| H15 | C16 | H16 | 109.5° | 110.3° |
| H17 | C17 | H18 | 109.5° | 110.9° |
| S1 | C19 | H20 | 113.9° | 109.5° |
| C19 | S1 | O1 | 114.1° | 110.5° |
| C19 | S1 | O2 | 114.1° | 110.5° |
| C19 | S1 | O3 | 114.1° | 104.5° |
| H22 | C24 | H23 | 109.5° | 109.5° |
| H24 | C25 | H25 | 109.5° | 109.5° |
| H32 | C33 | H33 | 109.5° | 109.5° |
| H34 | C34 | H35 | 109.5° | 109.4° |
| O1 | S1 | O2 | 0.0° | 121.0° |
| O1 | S1 | O3 | 0.0° | 104.3° |
| O2 | S1 | O3 | 0.0° | 104.3° |
| S1 | O3 | H19 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | C14 | N15 | C13 | 179.6° | 180.0° |
| O18 | C14 | N15 | C16 | 179.7° | 179.6° |
| O18 | C14 | C13 | C12 | 42.2° | 45.1° |
| O18 | C14 | C13 | C17 | 161.1° | 163.7° |
| O18 | C14 | C13 | H14 | 80.8° | 77.5° |
| O18 | C14 | N15 | H38 | 0.3° | 0.4° |
| C14 | N15 | C16 | H38 | 180.0° | 180.0° |
| N15 | C14 | C13 | C12 | 137.4° | 134.9° |
| N15 | C14 | C13 | C17 | 18.6° | 16.2° |
| C14 | N15 | C16 | C17 | 22.0° | 17.0° |
| N15 | C14 | C13 | H14 | 99.5° | 102.5° |
| C14 | N15 | C16 | H15 | 97.4° | 136.0° |
| C14 | N15 | C16 | H16 | 141.4° | 102.0° |
| C13 | C14 | N15 | C16 | 0.7° | 0.4° |
| C14 | C13 | C12 | C17 | 113.5° | 114.8° |
| C14 | C13 | C12 | H14 | 122.0° | 122.7° |
| C14 | C13 | C12 | C11 | 179.7° | 179.6° |
| C14 | C13 | C17 | H14 | 117.3° | 118.9° |
| C14 | C13 | C17 | C16 | 32.5° | 24.8° |
| C14 | C13 | C12 | H12 | 59.9° | 59.6° |
| C14 | C13 | C12 | H13 | 59.3° | 60.4° |
| C14 | C13 | C17 | H17 | 86.8° | 93.3° |
| C14 | C13 | C17 | H18 | 151.8° | 143.0° |
| C13 | C14 | N15 | H38 | 179.3° | 179.6° |
| N15 | C16 | C17 | C13 | 33.3° | 25.4° |
| N15 | C16 | C17 | H15 | 119.4° | 119.0° |
| N15 | C16 | C17 | H16 | 119.4° | 119.1° |
| N15 | C16 | H15 | H16 | 121.6° | 122.0° |
| N15 | C16 | C17 | H17 | 86.0° | 92.7° |
| N15 | C16 | C17 | H18 | 152.6° | 143.6° |
| C13 | C12 | C11 | H12 | 120.4° | 120.0° |
| C13 | C12 | C11 | H13 | 120.4° | 120.0° |
| C12 | C13 | C17 | H14 | 124.9° | 122.4° |
| C13 | C12 | C11 | C19 | 168.7° | 177.2° |
| C12 | C13 | C17 | C16 | 150.2° | 143.5° |
| C13 | C12 | C11 | N10 | 70.3° | 62.8° |
| C13 | C12 | C11 | H11 | 48.5° | 57.1° |
| C13 | C12 | H12 | H13 | 118.8° | 119.9° |
| C12 | C13 | C17 | H17 | 31.0° | 25.4° |
| C12 | C13 | C17 | H18 | 90.5° | 98.4° |
| C11 | C12 | C13 | C17 | 66.8° | 65.6° |
| C12 | C11 | C19 | N10 | 120.7° | 120.0° |
| C12 | C11 | C19 | H11 | 120.4° | 120.0° |
| C12 | C11 | C19 | O20 | 176.5° | 58.3° |
| C12 | C11 | N10 | H11 | 118.2° | 119.9° |
| C12 | C11 | N10 | C09 | 121.6° | 60.3° |
| C11 | C12 | H12 | H13 | 118.8° | 120.0° |
| C11 | C12 | C13 | H14 | 57.7° | 56.9° |
| C12 | C11 | C19 | S1 | 62.9° | 178.4° |
| C12 | C11 | C19 | H20 | 61.3° | 61.6° |
| C12 | C11 | N10 | H37 | 58.4° | 119.7° |
| C13 | C17 | C16 | H17 | 119.3° | 118.1° |
| C13 | C17 | C16 | H18 | 119.3° | 118.1° |
| C17 | C13 | C12 | H12 | 53.6° | 174.4° |
| C17 | C13 | C12 | H13 | 172.8° | 54.4° |
| C13 | C17 | C16 | H15 | 86.1° | 144.4° |
| C13 | C17 | C16 | H16 | 152.7° | 93.7° |
| C13 | C17 | H17 | H18 | 122.1° | 123.8° |
| C11 | C19 | O20 | S1 | 120.6° | 120.0° |
| C11 | C19 | O20 | H20 | 114.0° | 120.0° |
| C19 | C11 | N10 | H11 | 118.2° | 120.0° |
| C19 | C11 | N10 | C09 | 114.7° | 59.8° |
| C19 | C11 | C12 | H12 | 48.3° | 62.8° |
| C19 | C11 | C12 | H13 | 70.8° | 57.2° |
| C11 | C19 | S1 | H20 | 119.9° | 120.0° |
| C19 | C11 | N10 | H37 | 65.3° | 120.3° |
| C11 | C19 | O20 | H39 | 180.0° | 60.0° |
| C11 | C19 | S1 | O1 | 99.5° | 51.3° |
| C11 | C19 | S1 | O2 | 99.5° | 172.0° |
| C11 | C19 | S1 | O3 | 99.5° | 60.3° |
| O20 | C19 | C11 | N10 | 62.8° | 178.3° |
| O20 | C19 | C11 | H11 | 56.1° | 61.7° |
| O20 | C19 | S1 | H20 | 122.0° | 120.0° |
| O20 | C19 | S1 | O1 | 142.3° | 68.7° |
| O20 | C19 | S1 | O2 | 142.3° | 68.0° |
| O20 | C19 | S1 | O3 | 142.3° | 179.6° |
| C16 | C17 | C13 | H14 | 84.8° | 94.1° |
| C17 | C16 | H15 | H16 | 121.7° | 121.9° |
| C16 | C17 | H17 | H18 | 122.1° | 123.8° |
| C17 | C16 | N15 | H38 | 157.9° | 163.0° |
| C11 | N10 | C09 | H37 | 180.0° | 180.0° |
| C11 | N10 | C09 | C04 | 179.5° | 174.9° |
| C11 | N10 | C09 | O21 | 1.3° | 5.1° |
| N10 | C11 | C12 | H12 | 169.3° | 57.2° |
| N10 | C11 | C12 | H13 | 50.1° | 177.2° |
| N10 | C11 | C19 | S1 | 57.8° | 61.6° |
| N10 | C11 | C19 | H20 | 178.0° | 58.4° |
| N10 | C09 | C04 | O21 | 179.2° | 180.0° |
| N10 | C09 | C04 | C05 | 101.6° | 79.6° |
| N10 | C09 | C04 | N03 | 139.7° | 160.4° |
| N10 | C09 | C04 | H1 | 18.7° | 40.4° |
| C09 | N10 | C11 | H11 | 3.5° | 179.8° |
| O01 | C02 | N03 | C04 | 0.4° | 4.8° |
| O01 | C02 | N03 | O22 | 179.7° | 179.8° |
| O01 | C02 | O22 | C23 | 4.2° | 0.2° |
| O01 | C02 | N03 | H36 | 179.6° | 175.3° |
| C09 | C04 | C05 | N03 | 118.4° | 120.0° |
| C09 | C04 | C05 | H1 | 120.4° | 120.0° |
| C09 | C04 | N03 | H1 | 120.2° | 120.0° |
| C09 | C04 | N03 | C02 | 77.7° | 151.5° |
| C09 | C04 | C05 | C06 | 168.7° | 65.8° |
| C09 | C04 | C05 | H2 | 71.0° | 174.2° |
| C09 | C04 | C05 | H3 | 48.4° | 54.2° |
| C09 | C04 | N03 | H36 | 102.2° | 28.5° |
| C04 | C09 | N10 | H37 | 0.5° | 5.1° |
| O21 | C09 | C04 | C05 | 79.2° | 100.4° |
| O21 | C09 | C04 | N03 | 39.5° | 19.6° |
| O21 | C09 | C04 | H1 | 160.4° | 139.6° |
| O21 | C09 | N10 | H37 | 178.7° | 174.9° |
| C08 | C06 | C05 | C04 | 76.9° | 173.0° |
| C08 | C06 | C05 | C07 | 121.6° | 120.0° |
| C08 | C06 | C05 | H4 | 119.1° | 120.0° |
| C08 | C06 | C07 | H4 | 118.4° | 120.0° |
| C08 | C06 | C05 | H2 | 162.8° | 66.9° |
| C08 | C06 | C05 | H3 | 43.4° | 53.0° |
| C08 | C06 | C07 | H5 | 180.0° | 56.0° |
| C08 | C06 | C07 | H6 | 60.0° | 64.0° |
| C08 | C06 | C07 | H7 | 60.0° | 176.0° |
| C06 | C08 | H8 | H9 | 120.0° | 120.1° |
| C06 | C08 | H8 | H10 | 120.0° | 120.0° |
| C06 | C08 | H9 | H10 | 120.0° | 120.0° |
| C05 | C04 | N03 | H1 | 120.4° | 120.0° |
| C05 | C04 | N03 | C02 | 162.9° | 88.5° |
| C04 | C05 | C06 | H2 | 120.3° | 120.1° |
| C04 | C05 | C06 | H3 | 120.3° | 120.0° |
| C04 | C05 | C06 | C07 | 161.5° | 66.9° |
| C04 | C05 | H2 | H3 | 119.1° | 120.0° |
| C04 | C05 | C06 | H4 | 42.2° | 53.0° |
| C05 | C04 | N03 | H36 | 17.1° | 91.6° |
| C04 | N03 | C02 | H36 | 180.0° | 179.9° |
| C04 | N03 | C02 | O22 | 179.9° | 175.0° |
| N03 | C04 | C05 | C06 | 72.9° | 174.2° |
| N03 | C04 | C05 | H2 | 47.4° | 54.1° |
| N03 | C04 | C05 | H3 | 166.8° | 65.8° |
| N03 | C02 | O22 | C23 | 176.1° | 180.0° |
| C02 | N03 | C04 | H1 | 42.5° | 31.5° |
| C02 | O22 | C23 | C24 | 110.3° | 150.0° |
| C02 | O22 | C23 | C34 | 127.3° | 90.0° |
| C02 | O22 | C23 | H21 | 9.2° | 30.0° |
| O22 | C02 | N03 | H36 | 0.1° | 5.0° |
| C28 | C29 | C30 | H28 | 180.0° | 179.9° |
| C29 | C28 | C27 | H27 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.5° | 0.1° |
| C29 | C28 | C27 | C26 | 179.4° | 180.0° |
| C29 | C28 | C27 | C32 | 0.1° | 0.3° |
| C28 | C29 | C30 | H29 | 179.5° | 180.0° |
| C30 | C29 | C28 | C27 | 0.3° | 0.0° |
| C29 | C30 | C31 | H29 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.2° | 0.1° |
| C30 | C29 | C28 | H27 | 179.7° | 180.0° |
| C29 | C30 | C31 | H30 | 179.8° | 180.0° |
| C28 | C27 | C26 | C25 | 93.0° | 60.3° |
| C28 | C27 | C26 | C33 | 28.8° | 59.7° |
| C28 | C27 | C26 | C32 | 179.3° | 179.7° |
| C28 | C27 | C32 | C31 | 0.4° | 0.5° |
| C28 | C27 | C26 | H26 | 147.7° | 179.8° |
| C27 | C28 | C29 | H28 | 179.7° | 180.0° |
| C28 | C27 | C32 | H31 | 179.6° | 179.8° |
| C24 | C25 | C26 | H24 | 120.2° | 120.0° |
| C24 | C25 | C26 | H25 | 120.2° | 120.0° |
| C25 | C24 | C23 | H22 | 120.4° | 119.9° |
| C25 | C24 | C23 | H23 | 120.5° | 120.0° |
| C25 | C24 | C23 | O22 | 165.7° | 180.0° |
| C25 | C24 | C23 | C34 | 47.9° | 60.0° |
| C24 | C25 | C26 | C33 | 60.0° | 60.0° |
| C24 | C25 | C26 | C27 | 177.2° | 180.0° |
| C25 | C24 | C23 | H21 | 73.6° | 60.1° |
| C25 | C24 | H22 | H23 | 118.6° | 120.0° |
| C24 | C25 | H24 | H25 | 119.4° | 120.1° |
| C24 | C25 | C26 | H26 | 57.9° | 60.0° |
| C26 | C25 | C24 | C23 | 53.7° | 60.0° |
| C25 | C26 | C33 | C34 | 61.1° | 60.0° |
| C25 | C26 | C33 | C27 | 123.3° | 120.0° |
| C25 | C26 | C33 | H26 | 117.9° | 120.0° |
| C25 | C26 | C27 | H26 | 119.4° | 120.0° |
| C25 | C26 | C27 | C32 | 87.8° | 120.0° |
| C26 | C25 | C24 | H22 | 174.1° | 60.0° |
| C26 | C25 | C24 | H23 | 66.8° | 180.0° |
| C26 | C25 | H24 | H25 | 119.4° | 120.0° |
| C25 | C26 | C33 | H32 | 59.1° | 180.0° |
| C25 | C26 | C33 | H33 | 178.8° | 60.0° |
| C24 | C23 | O22 | C34 | 122.3° | 120.0° |
| C24 | C23 | O22 | H21 | 119.6° | 119.9° |
| C24 | C23 | C34 | H21 | 121.5° | 120.0° |
| C24 | C23 | C34 | C33 | 48.9° | 60.0° |
| C23 | C24 | H22 | H23 | 118.6° | 120.1° |
| C23 | C24 | C25 | H24 | 173.8° | 180.0° |
| C23 | C24 | C25 | H25 | 66.5° | 60.0° |
| C24 | C23 | C34 | H34 | 169.3° | 180.0° |
| C24 | C23 | C34 | H35 | 71.5° | 60.0° |
| O22 | C23 | C34 | H21 | 119.3° | 120.0° |
| O22 | C23 | C34 | C33 | 168.1° | 180.0° |
| O22 | C23 | C24 | H22 | 73.8° | 60.1° |
| O22 | C23 | C24 | H23 | 45.3° | 60.0° |
| O22 | C23 | C34 | H34 | 71.5° | 60.0° |
| O22 | C23 | C34 | H35 | 47.7° | 59.9° |
| C23 | C34 | C33 | H34 | 120.4° | 120.0° |
| C23 | C34 | C33 | H35 | 120.4° | 120.1° |
| C23 | C34 | C33 | C26 | 55.5° | 60.0° |
| C34 | C23 | C24 | H22 | 168.3° | 59.9° |
| C34 | C23 | C24 | H23 | 72.6° | 180.0° |
| C23 | C34 | C33 | H32 | 64.6° | 180.0° |
| C23 | C34 | C33 | H33 | 175.7° | 59.9° |
| C23 | C34 | H34 | H35 | 118.8° | 120.0° |
| C05 | C06 | C07 | H4 | 119.4° | 119.9° |
| C06 | C05 | C04 | H1 | 48.3° | 54.2° |
| C06 | C05 | H2 | H3 | 119.1° | 120.0° |
| C05 | C06 | C07 | H5 | 57.8° | 64.0° |
| C05 | C06 | C07 | H6 | 62.2° | 175.9° |
| C05 | C06 | C07 | H7 | 177.8° | 56.0° |
| C05 | C06 | C08 | H8 | 180.0° | 60.0° |
| C05 | C06 | C08 | H9 | 60.0° | 180.0° |
| C05 | C06 | C08 | H10 | 60.0° | 60.0° |
| C07 | C06 | C05 | H2 | 41.2° | 53.1° |
| C07 | C06 | C05 | H3 | 78.2° | 173.0° |
| C06 | C07 | H5 | H6 | 120.0° | 120.0° |
| C06 | C07 | H5 | H7 | 120.0° | 120.1° |
| C06 | C07 | H6 | H7 | 120.0° | 120.0° |
| C07 | C06 | C08 | H8 | 57.4° | 180.0° |
| C07 | C06 | C08 | H9 | 62.6° | 60.0° |
| C07 | C06 | C08 | H10 | 177.4° | 60.0° |
| C30 | C31 | C32 | C27 | 0.2° | 0.4° |
| C30 | C31 | C32 | H30 | 180.0° | 179.8° |
| C31 | C30 | C29 | H28 | 179.5° | 180.0° |
| C30 | C31 | C32 | H31 | 179.8° | 179.8° |
| C34 | C33 | C26 | H32 | 120.1° | 120.0° |
| C34 | C33 | C26 | H33 | 120.2° | 120.0° |
| C34 | C33 | C26 | C27 | 175.6° | 180.0° |
| C33 | C34 | C23 | H21 | 72.6° | 60.0° |
| C34 | C33 | C26 | H26 | 56.8° | 60.0° |
| C34 | C33 | H32 | H33 | 119.5° | 120.0° |
| C33 | C34 | H34 | H35 | 118.8° | 120.0° |
| C33 | C26 | C27 | H26 | 118.8° | 120.0° |
| C33 | C26 | C27 | C32 | 150.5° | 120.0° |
| C33 | C26 | C25 | H24 | 179.8° | 180.0° |
| C33 | C26 | C25 | H25 | 60.2° | 60.0° |
| C26 | C33 | H32 | H33 | 119.5° | 120.0° |
| C26 | C33 | C34 | H34 | 176.0° | 180.0° |
| C26 | C33 | C34 | H35 | 64.8° | 60.1° |
| C26 | C27 | C32 | C31 | 179.7° | 179.8° |
| C27 | C26 | C25 | H24 | 57.0° | 60.0° |
| C27 | C26 | C25 | H25 | 62.6° | 60.0° |
| C26 | C27 | C28 | H27 | 0.6° | 0.0° |
| C26 | C27 | C32 | H31 | 0.4° | 0.0° |
| C27 | C26 | C33 | H32 | 64.2° | 60.0° |
| C27 | C26 | C33 | H33 | 55.5° | 60.0° |
| C27 | C32 | C31 | H31 | 180.0° | 179.7° |
| C32 | C27 | C26 | H26 | 31.6° | 0.0° |
| C32 | C27 | C28 | H27 | 179.9° | 179.7° |
| C27 | C32 | C31 | H30 | 179.8° | 179.7° |
| C32 | C31 | C30 | H29 | 179.8° | 179.7° |
| H1 | C04 | C05 | H2 | 168.6° | 65.8° |
| H1 | C04 | C05 | H3 | 72.0° | 174.2° |
| H1 | C04 | N03 | H36 | 137.5° | 148.5° |
| H2 | C05 | C06 | H4 | 78.1° | 173.1° |
| H3 | C05 | C06 | H4 | 162.4° | 67.0° |
| H4 | C06 | C07 | H5 | 61.6° | 176.0° |
| H4 | C06 | C07 | H6 | 178.4° | 56.0° |
| H4 | C06 | C07 | H7 | 58.5° | 63.9° |
| H4 | C06 | C08 | H8 | 61.0° | 60.0° |
| H4 | C06 | C08 | H9 | 179.1° | 60.0° |
| H4 | C06 | C08 | H10 | 59.0° | 179.9° |
| H5 | C07 | H6 | H7 | 120.0° | 120.0° |
| H8 | C08 | H9 | H10 | 120.0° | 119.9° |
| H11 | C11 | C12 | H12 | 72.0° | 177.1° |
| H11 | C11 | C12 | H13 | 168.9° | 62.9° |
| H11 | C11 | C19 | S1 | 176.7° | 58.4° |
| H11 | C11 | C19 | H20 | 59.0° | 178.4° |
| H11 | C11 | N10 | H37 | 176.5° | 0.2° |
| H12 | C12 | C13 | H14 | 178.1° | 63.1° |
| H13 | C12 | C13 | H14 | 62.7° | 176.9° |
| H14 | C13 | C17 | H17 | 155.9° | 147.9° |
| H14 | C13 | C17 | H18 | 34.4° | 24.1° |
| H15 | C16 | C17 | H17 | 154.6° | 26.3° |
| H15 | C16 | C17 | H18 | 33.2° | 97.5° |
| H15 | C16 | N15 | H38 | 82.6° | 44.0° |
| H16 | C16 | C17 | H17 | 33.4° | 148.2° |
| H16 | C16 | C17 | H18 | 88.0° | 24.5° |
| H16 | C16 | N15 | H38 | 38.5° | 78.0° |
| S1 | C19 | O20 | H39 | 59.4° | 180.0° |
| C19 | S1 | O1 | O2 | 90.0° | 131.4° |
| C19 | S1 | O1 | O3 | 90.0° | 111.8° |
| C19 | S1 | O2 | O3 | 90.0° | 111.7° |
| C19 | S1 | O3 | H19 | 90.0° | 180.0° |
| H20 | C19 | O20 | H39 | 66.0° | 60.0° |
| H20 | C19 | S1 | O1 | 20.3° | 171.3° |
| H20 | C19 | S1 | O2 | 20.3° | 52.0° |
| H20 | C19 | S1 | O3 | 20.3° | 59.6° |
| H21 | C23 | C24 | H22 | 46.8° | NaN° |
| H21 | C23 | C24 | H23 | 165.9° | 60.0° |
| H21 | C23 | C34 | H34 | 47.8° | 60.0° |
| H21 | C23 | C34 | H35 | 167.0° | 179.9° |
| H22 | C24 | C25 | H24 | 65.7° | 60.0° |
| H22 | C24 | C25 | H25 | 53.9° | 180.0° |
| H23 | C24 | C25 | H24 | 53.4° | 60.0° |
| H23 | C24 | C25 | H25 | 173.0° | 60.0° |
| H24 | C25 | C26 | H26 | 62.3° | 60.0° |
| H25 | C25 | C26 | H26 | 178.1° | 179.9° |
| H26 | C26 | C33 | H32 | 177.0° | 60.0° |
| H26 | C26 | C33 | H33 | 63.3° | 180.0° |
| H27 | C28 | C29 | H28 | 0.3° | 0.0° |
| H28 | C29 | C30 | H29 | 0.5° | 0.1° |
| H29 | C30 | C31 | H30 | 0.2° | 0.1° |
| H30 | C31 | C32 | H31 | 0.2° | 0.0° |
| H32 | C33 | C34 | H34 | 55.8° | 60.0° |
| H32 | C33 | C34 | H35 | 175.0° | 59.9° |
| H33 | C33 | C34 | H34 | 63.9° | 60.0° |
| H33 | C33 | C34 | H35 | 55.3° | 180.0° |
| O1 | S1 | O2 | O3 | 90.0° | 116.8° |
| O1 | S1 | O3 | H19 | 90.0° | 63.9° |
| O2 | S1 | O3 | H19 | 90.0° | 64.0° |
