YMG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C29 | C26 | sing | 1.53Å | 1.52Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| O18 | C14 | doub | 1.21Å | 1.17Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C26 | C28 | sing | 1.53Å | 1.53Å | |
| C30 | C23 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C14 | N15 | sing | 1.34Å | 1.34Å | |
| C14 | C13 | sing | 1.51Å | 1.60Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | O22 | sing | 1.45Å | 1.39Å | |
| N15 | C16 | sing | 1.47Å | 1.58Å | |
| O01 | C02 | doub | 1.21Å | 1.18Å | |
| O22 | C02 | sing | 1.35Å | 1.39Å | |
| C02 | N03 | sing | 1.35Å | 1.44Å | |
| C13 | C12 | sing | 1.53Å | 1.46Å | |
| C13 | C17 | sing | 1.55Å | 1.51Å | |
| C16 | C17 | sing | 1.55Å | 1.38Å | |
| C07 | C06 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.55Å | |
| N03 | C04 | sing | 1.46Å | 1.44Å | |
| N10 | C11 | sing | 1.47Å | 1.45Å | |
| N10 | C09 | sing | 1.35Å | 1.44Å | |
| C04 | C09 | sing | 1.51Å | 1.52Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| C06 | C05 | sing | 1.53Å | 1.52Å | |
| C06 | C08 | sing | 1.53Å | 1.53Å | |
| C11 | C19 | sing | 1.53Å | 1.53Å | |
| C09 | O21 | doub | 1.21Å | 1.18Å | |
| C19 | O20 | sing | 1.43Å | 1.40Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C08 | 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 | |
| C19 | S1 | sing | 1.81Å | 1.07Å | |
| 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 | |
| C27 | 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 | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C30 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | 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 | 34.05Å | |
| S1 | O2 | doub | 1.42Å | 34.05Å | |
| S1 | O3 | sing | 1.52Å | 34.05Å | |
| O3 | H20 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C26 | C29 | 108.8° | 109.5° |
| C27 | C26 | C25 | 108.1° | 109.5° |
| C27 | C26 | C28 | 107.9° | 109.4° |
| C26 | C27 | H26 | 109.5° | 109.5° |
| C26 | C27 | H27 | 109.4° | 109.5° |
| C26 | C27 | H28 | 109.4° | 109.4° |
| C26 | C29 | C30 | 112.5° | 109.5° |
| C29 | C26 | C25 | 112.2° | 109.5° |
| C29 | C26 | C28 | 109.7° | 109.4° |
| C26 | C29 | H32 | 108.7° | 109.4° |
| C26 | C29 | H33 | 108.7° | 109.5° |
| C29 | C30 | C23 | 112.8° | 109.5° |
| C30 | C29 | H32 | 108.7° | 109.4° |
| C30 | C29 | H33 | 108.7° | 109.5° |
| C29 | C30 | H34 | 108.6° | 109.4° |
| C29 | C30 | H35 | 108.6° | 109.5° |
| O18 | C14 | N15 | 125.7° | 125.0° |
| O18 | C14 | C13 | 126.8° | 124.9° |
| C25 | C26 | C28 | 110.0° | 109.5° |
| C26 | C25 | C24 | 112.3° | 109.5° |
| C26 | C25 | H24 | 108.8° | 109.5° |
| C26 | C25 | H25 | 108.8° | 109.4° |
| C26 | C28 | H29 | 109.5° | 109.5° |
| C26 | C28 | H30 | 109.5° | 109.5° |
| C26 | C28 | H31 | 109.5° | 109.5° |
| C30 | C23 | C24 | 111.7° | 109.5° |
| C30 | C23 | O22 | 107.0° | 109.4° |
| C30 | C23 | H21 | 108.9° | 109.5° |
| C23 | C30 | H34 | 108.7° | 109.5° |
| C23 | C30 | H35 | 108.6° | 109.5° |
| C25 | C24 | C23 | 111.8° | 109.4° |
| C25 | C24 | H22 | 108.9° | 109.5° |
| C25 | C24 | H23 | 108.9° | 109.5° |
| C24 | C25 | H24 | 108.8° | 109.5° |
| C24 | C25 | H25 | 108.8° | 109.5° |
| N15 | C14 | C13 | 107.5° | 110.1° |
| C14 | N15 | C16 | 108.7° | 111.3° |
| C14 | N15 | H38 | 125.7° | 124.3° |
| C14 | C13 | C12 | 110.5° | 110.4° |
| C14 | C13 | C17 | 104.5° | 104.2° |
| C14 | C13 | H4 | 109.9° | 110.7° |
| C24 | C23 | O22 | 109.3° | 109.5° |
| C24 | C23 | H21 | 109.0° | 109.5° |
| C23 | C24 | H22 | 108.9° | 109.4° |
| C23 | C24 | H23 | 108.8° | 109.5° |
| C23 | O22 | C02 | 115.6° | 117.0° |
| O22 | C23 | H21 | 111.0° | 109.4° |
| N15 | C16 | C17 | 108.4° | 105.5° |
| N15 | C16 | H5 | 109.7° | 110.3° |
| N15 | C16 | H6 | 109.8° | 110.4° |
| C16 | N15 | H38 | 125.7° | 124.3° |
| O01 | C02 | O22 | 121.5° | 120.0° |
| O01 | C02 | N03 | 121.7° | 120.0° |
| O22 | C02 | N03 | 116.8° | 120.0° |
| C02 | N03 | C04 | 122.0° | 120.0° |
| C02 | N03 | H36 | 119.0° | 120.0° |
| C12 | C13 | C17 | 108.6° | 110.5° |
| C13 | C12 | C11 | 115.0° | 109.5° |
| C13 | C12 | H2 | 108.1° | 109.5° |
| C13 | C12 | H3 | 108.1° | 109.5° |
| C12 | C13 | H4 | 111.9° | 110.4° |
| C13 | C17 | C16 | 107.3° | 101.7° |
| C17 | C13 | H4 | 111.1° | 110.5° |
| C13 | C17 | H17 | 110.0° | 111.0° |
| C13 | C17 | H18 | 110.0° | 111.0° |
| C17 | C16 | H5 | 109.7° | 110.2° |
| C17 | C16 | H6 | 109.7° | 110.2° |
| C16 | C17 | H17 | 110.0° | 110.9° |
| C16 | C17 | H18 | 110.0° | 111.0° |
| C07 | C06 | C05 | 110.8° | 109.5° |
| C07 | C06 | C08 | 111.3° | 109.5° |
| C07 | C06 | H10 | 107.9° | 109.5° |
| C06 | C07 | H11 | 109.5° | 109.5° |
| C06 | C07 | H12 | 109.5° | 109.5° |
| C06 | C07 | H13 | 109.5° | 109.5° |
| C12 | C11 | N10 | 111.3° | 109.5° |
| C12 | C11 | C19 | 113.7° | 109.4° |
| C12 | C11 | H1 | 106.9° | 109.4° |
| C11 | C12 | H2 | 108.1° | 109.4° |
| C11 | C12 | H3 | 108.1° | 109.5° |
| N03 | C04 | C09 | 109.6° | 109.5° |
| N03 | C04 | C05 | 109.0° | 109.5° |
| N03 | C04 | H7 | 110.4° | 109.5° |
| C04 | N03 | H36 | 119.0° | 120.0° |
| C11 | N10 | C09 | 120.4° | 120.0° |
| N10 | C11 | C19 | 109.3° | 109.5° |
| N10 | C11 | H1 | 108.2° | 109.5° |
| C11 | N10 | H37 | 119.8° | 119.9° |
| N10 | C09 | C04 | 118.0° | 120.0° |
| N10 | C09 | O21 | 120.8° | 120.0° |
| C09 | N10 | H37 | 119.8° | 120.1° |
| C09 | C04 | C05 | 109.0° | 109.5° |
| C04 | C09 | O21 | 121.2° | 120.0° |
| C09 | C04 | H7 | 109.4° | 109.5° |
| C04 | C05 | C06 | 111.6° | 109.4° |
| C05 | C04 | H7 | 109.3° | 109.5° |
| C04 | C05 | H8 | 108.9° | 109.4° |
| C04 | C05 | H9 | 109.0° | 109.5° |
| C05 | C06 | C08 | 111.0° | 109.4° |
| C06 | C05 | H8 | 109.0° | 109.4° |
| C06 | C05 | H9 | 108.9° | 109.5° |
| C05 | C06 | H10 | 107.9° | 109.5° |
| C08 | C06 | H10 | 107.9° | 109.5° |
| C06 | C08 | H14 | 109.5° | 109.5° |
| C06 | C08 | H15 | 109.5° | 109.4° |
| C06 | C08 | H16 | 109.4° | 109.5° |
| C11 | C19 | O20 | 111.3° | 109.4° |
| C19 | C11 | H1 | 107.2° | 109.5° |
| C11 | C19 | H19 | 106.8° | 109.5° |
| C11 | C19 | S1 | 108.0° | 109.5° |
| O20 | C19 | H19 | 108.3° | 109.5° |
| O20 | C19 | S1 | 108.1° | 109.5° |
| C19 | O20 | H39 | 109.5° | 114.0° |
| H2 | C12 | H3 | 109.5° | 109.5° |
| H5 | C16 | H6 | 109.5° | 110.2° |
| H8 | C05 | H9 | 109.5° | 109.5° |
| H11 | C07 | H12 | 109.5° | 109.4° |
| H11 | C07 | H13 | 109.4° | 109.5° |
| H12 | C07 | H13 | 109.5° | 109.5° |
| H14 | C08 | H15 | 109.5° | 109.4° |
| H14 | C08 | H16 | 109.5° | 109.5° |
| H15 | C08 | H16 | 109.5° | 109.5° |
| H17 | C17 | H18 | 109.4° | 110.9° |
| H19 | C19 | S1 | 114.3° | 109.5° |
| C19 | S1 | O1 | 141.4° | 110.5° |
| C19 | S1 | O2 | 141.4° | 110.6° |
| C19 | S1 | O3 | 141.4° | 104.4° |
| H22 | C24 | H23 | 109.5° | 109.5° |
| H24 | C25 | H25 | 109.5° | 109.4° |
| H26 | C27 | H27 | 109.4° | 109.5° |
| H26 | C27 | H28 | 109.5° | 109.5° |
| H27 | C27 | H28 | 109.5° | 109.5° |
| H29 | C28 | H30 | 109.5° | 109.5° |
| H29 | C28 | H31 | 109.5° | 109.4° |
| H30 | C28 | H31 | 109.5° | 109.5° |
| H32 | C29 | H33 | 109.5° | 109.5° |
| H34 | C30 | H35 | 109.4° | 109.5° |
| O1 | S1 | O2 | NaN° | 121.0° |
| O1 | S1 | O3 | NaN° | 104.3° |
| O2 | S1 | O3 | NaN° | 104.3° |
| S1 | O3 | H20 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C26 | C29 | C25 | 119.6° | 120.1° |
| C27 | C26 | C29 | C28 | 117.9° | 120.0° |
| C27 | C26 | C29 | C30 | 170.7° | 180.0° |
| C27 | C26 | C25 | C28 | 117.5° | 120.0° |
| C27 | C26 | C25 | C24 | 172.7° | 179.9° |
| C27 | C26 | C25 | H24 | 66.9° | 60.0° |
| C27 | C26 | C25 | H25 | 52.3° | 60.0° |
| C26 | C27 | H26 | H27 | 120.0° | 120.0° |
| C26 | C27 | H26 | H28 | 120.0° | 120.0° |
| C26 | C27 | H27 | H28 | 120.0° | 119.9° |
| C27 | C26 | C28 | H29 | 180.0° | 180.0° |
| C27 | C26 | C28 | H30 | 60.0° | 60.0° |
| C27 | C26 | C28 | H31 | 60.0° | 60.0° |
| C27 | C26 | C29 | H32 | 50.3° | 60.1° |
| C27 | C26 | C29 | H33 | 68.8° | 59.9° |
| C26 | C29 | C30 | H32 | 120.4° | 119.9° |
| C26 | C29 | C30 | H33 | 120.4° | 120.0° |
| C29 | C26 | C25 | C28 | 122.5° | 119.9° |
| C26 | C29 | C30 | C23 | 51.3° | 60.0° |
| C29 | C26 | C25 | C24 | 52.7° | 60.0° |
| C29 | C26 | C25 | H24 | 173.1° | 60.1° |
| C29 | C26 | C25 | H25 | 67.7° | 180.0° |
| C29 | C26 | C27 | H26 | 180.0° | 180.0° |
| C29 | C26 | C27 | H27 | 60.0° | 59.9° |
| C29 | C26 | C27 | H28 | 60.0° | 60.0° |
| C29 | C26 | C28 | H29 | 61.6° | 60.0° |
| C29 | C26 | C28 | H30 | 58.4° | 60.0° |
| C29 | C26 | C28 | H31 | 178.4° | 180.0° |
| C26 | C29 | H32 | H33 | 118.6° | 120.0° |
| C26 | C29 | C30 | H34 | 171.9° | 60.0° |
| C26 | C29 | C30 | H35 | 69.2° | 180.0° |
| C30 | C29 | C26 | C25 | 51.2° | 59.9° |
| C30 | C29 | C26 | C28 | 71.4° | 60.0° |
| C29 | C30 | C23 | H34 | 120.5° | 119.9° |
| C29 | C30 | C23 | H35 | 120.5° | 120.0° |
| C29 | C30 | C23 | C24 | 52.4° | 60.0° |
| C29 | C30 | C23 | O22 | 171.9° | 180.0° |
| C29 | C30 | C23 | H21 | 68.0° | 60.1° |
| C30 | C29 | H32 | H33 | 118.6° | 120.1° |
| C29 | C30 | H34 | H35 | 118.4° | 120.0° |
| O18 | C14 | N15 | C13 | 179.1° | 179.9° |
| O18 | C14 | N15 | C16 | 179.1° | 179.5° |
| O18 | C14 | C13 | C12 | 53.3° | 45.2° |
| O18 | C14 | C13 | C17 | 170.0° | 163.8° |
| O18 | C14 | C13 | H4 | 70.7° | 77.4° |
| O18 | C14 | N15 | H38 | 0.9° | 0.5° |
| C26 | C25 | C24 | H24 | 120.4° | 120.1° |
| C26 | C25 | C24 | H25 | 120.4° | 120.0° |
| C26 | C25 | C24 | C23 | 54.0° | 60.0° |
| C26 | C25 | C24 | H22 | 66.4° | 180.0° |
| C26 | C25 | C24 | H23 | 174.3° | 60.0° |
| C26 | C25 | H24 | H25 | 118.7° | 119.9° |
| C25 | C26 | C27 | H26 | 57.9° | 60.0° |
| C25 | C26 | C27 | H27 | 177.9° | 180.0° |
| C25 | C26 | C27 | H28 | 62.1° | 60.0° |
| C25 | C26 | C28 | H29 | 62.3° | 59.9° |
| C25 | C26 | C28 | H30 | 177.7° | 179.9° |
| C25 | C26 | C28 | H31 | 57.7° | 60.0° |
| C25 | C26 | C29 | H32 | 69.3° | 60.0° |
| C25 | C26 | C29 | H33 | 171.6° | 180.0° |
| C28 | C26 | C25 | C24 | 69.8° | 60.0° |
| C28 | C26 | C25 | H24 | 50.7° | 180.0° |
| C28 | C26 | C25 | H25 | 169.8° | 60.0° |
| C28 | C26 | C27 | H26 | 61.0° | 60.0° |
| C28 | C26 | C27 | H27 | 59.0° | 60.0° |
| C28 | C26 | C27 | H28 | 179.0° | 180.0° |
| C26 | C28 | H29 | H30 | 120.0° | 120.0° |
| C26 | C28 | H29 | H31 | 120.0° | 120.0° |
| C26 | C28 | H30 | H31 | 120.0° | 120.0° |
| C28 | C26 | C29 | H32 | 168.1° | 180.0° |
| C28 | C26 | C29 | H33 | 49.0° | 60.0° |
| C30 | C23 | C24 | C25 | 53.5° | 60.0° |
| C30 | C23 | C24 | O22 | 118.2° | 120.0° |
| C30 | C23 | C24 | H21 | 120.4° | 120.1° |
| C30 | C23 | O22 | H21 | 118.8° | 120.0° |
| C30 | C23 | O22 | C02 | 146.1° | 90.0° |
| C30 | C23 | C24 | H22 | 66.9° | 180.0° |
| C30 | C23 | C24 | H23 | 173.9° | 60.0° |
| C23 | C30 | C29 | H32 | 69.1° | 60.0° |
| C23 | C30 | C29 | H33 | 171.8° | 180.0° |
| C23 | C30 | H34 | H35 | 118.5° | 120.1° |
| C25 | C24 | C23 | H22 | 120.4° | 120.0° |
| C25 | C24 | C23 | H23 | 120.3° | 120.0° |
| C25 | C24 | C23 | O22 | 171.7° | 180.0° |
| C25 | C24 | C23 | H21 | 66.9° | 60.0° |
| C25 | C24 | H22 | H23 | 118.9° | 120.1° |
| C24 | C25 | H24 | H25 | 118.7° | 120.0° |
| C14 | N15 | C16 | H38 | 180.0° | 180.0° |
| N15 | C14 | C13 | C12 | 127.6° | 134.9° |
| N15 | C14 | C13 | C17 | 10.9° | 16.3° |
| C14 | N15 | C16 | C17 | 12.3° | 17.0° |
| N15 | C14 | C13 | H4 | 108.4° | 102.5° |
| C14 | N15 | C16 | H5 | 107.5° | 136.0° |
| C14 | N15 | C16 | H6 | 132.1° | 102.0° |
| C13 | C14 | N15 | C16 | 0.1° | 0.4° |
| C14 | C13 | C12 | C17 | 114.1° | 114.7° |
| C14 | C13 | C12 | H4 | 122.8° | 122.7° |
| C14 | C13 | C17 | H4 | 118.5° | 118.9° |
| C14 | C13 | C17 | C16 | 18.6° | 24.8° |
| C14 | C13 | C12 | C11 | 174.9° | 177.4° |
| C14 | C13 | C12 | H2 | 64.3° | 62.6° |
| C14 | C13 | C12 | H3 | 54.1° | 57.4° |
| C14 | C13 | C17 | H17 | 101.1° | 93.2° |
| C14 | C13 | C17 | H18 | 138.3° | 143.0° |
| C13 | C14 | N15 | H38 | 179.9° | 179.6° |
| C24 | C23 | O22 | H21 | 120.2° | 120.0° |
| C24 | C23 | O22 | C02 | 92.8° | 150.0° |
| C23 | C24 | H22 | H23 | 118.9° | 120.0° |
| C23 | C24 | C25 | H24 | 174.4° | 60.0° |
| C23 | C24 | C25 | H25 | 66.4° | 180.0° |
| C24 | C23 | C30 | H34 | 172.9° | 59.9° |
| C24 | C23 | C30 | H35 | 68.1° | 180.0° |
| C23 | O22 | C02 | O01 | 1.6° | 0.0° |
| C23 | O22 | C02 | N03 | 178.5° | 180.0° |
| O22 | C23 | C24 | H22 | 51.4° | 60.0° |
| O22 | C23 | C24 | H23 | 67.9° | 60.0° |
| O22 | C23 | C30 | H34 | 67.5° | 60.1° |
| O22 | C23 | C30 | H35 | 51.4° | 60.0° |
| N15 | C16 | C17 | C13 | 19.0° | 25.4° |
| N15 | C16 | C17 | H5 | 119.8° | 119.0° |
| N15 | C16 | C17 | H6 | 119.9° | 119.1° |
| N15 | C16 | H5 | H6 | 120.5° | 122.1° |
| N15 | C16 | C17 | H17 | 100.6° | 92.7° |
| N15 | C16 | C17 | H18 | 138.7° | 143.5° |
| O01 | C02 | O22 | N03 | 180.0° | 180.0° |
| O01 | C02 | N03 | C04 | 9.8° | 5.0° |
| O01 | C02 | N03 | H36 | 170.1° | 175.0° |
| O22 | C02 | N03 | C04 | 170.1° | 175.0° |
| C02 | O22 | C23 | H21 | 27.3° | 30.0° |
| O22 | C02 | N03 | H36 | 9.9° | 5.0° |
| C02 | N03 | C04 | H36 | 180.0° | 180.0° |
| C02 | N03 | C04 | C09 | 64.9° | 151.4° |
| C02 | N03 | C04 | C05 | 175.9° | 88.6° |
| C02 | N03 | C04 | H7 | 55.7° | 31.5° |
| C12 | C13 | C17 | H4 | 123.5° | 122.5° |
| C12 | C13 | C17 | C16 | 136.6° | 143.5° |
| C13 | C12 | C11 | H2 | 120.8° | 120.0° |
| C13 | C12 | C11 | H3 | 120.8° | 120.0° |
| C13 | C12 | C11 | N10 | 56.2° | 60.4° |
| C13 | C12 | C11 | C19 | 179.8° | 179.6° |
| C13 | C12 | C11 | H1 | 61.7° | 59.7° |
| C13 | C12 | H2 | H3 | 117.5° | 120.0° |
| C12 | C13 | C17 | H17 | 16.9° | 25.4° |
| C12 | C13 | C17 | H18 | 103.7° | 98.4° |
| C13 | C17 | C16 | H17 | 119.7° | 118.1° |
| C13 | C17 | C16 | H18 | 119.7° | 118.1° |
| C17 | C13 | C12 | C11 | 71.0° | 62.7° |
| C17 | C13 | C12 | H2 | 49.8° | 177.4° |
| C17 | C13 | C12 | H3 | 168.2° | 57.3° |
| C13 | C17 | C16 | H5 | 100.8° | 144.4° |
| C13 | C17 | C16 | H6 | 138.9° | 93.7° |
| C13 | C17 | H17 | H18 | 121.0° | 123.8° |
| C16 | C17 | C13 | H4 | 99.9° | 94.0° |
| C17 | C16 | H5 | H6 | 120.5° | 121.8° |
| C16 | C17 | H17 | H18 | 121.0° | 123.8° |
| C17 | C16 | N15 | H38 | 167.7° | 163.0° |
| C07 | C06 | C05 | C04 | 62.2° | 64.9° |
| C07 | C06 | C05 | C08 | 124.2° | 120.0° |
| C07 | C06 | C05 | H10 | 117.8° | 120.0° |
| C07 | C06 | C08 | H10 | 118.1° | 120.0° |
| C07 | C06 | C05 | H8 | 177.5° | 55.0° |
| C07 | C06 | C05 | H9 | 58.1° | 175.1° |
| C06 | C07 | H11 | H12 | 120.0° | 120.0° |
| C06 | C07 | H11 | H13 | 120.0° | 120.0° |
| C06 | C07 | H12 | H13 | 120.0° | 120.0° |
| C07 | C06 | C08 | H14 | 180.0° | 180.0° |
| C07 | C06 | C08 | H15 | 60.0° | 60.0° |
| C07 | C06 | C08 | H16 | 60.0° | 60.0° |
| C12 | C11 | N10 | C19 | 126.5° | 120.0° |
| C12 | C11 | N10 | H1 | 117.1° | 120.0° |
| C12 | C11 | N10 | C09 | 120.6° | 149.8° |
| C12 | C11 | C19 | H1 | 118.0° | 119.9° |
| C12 | C11 | C19 | O20 | 53.6° | 174.8° |
| C11 | C12 | H2 | H3 | 117.5° | 120.0° |
| C11 | C12 | C13 | H4 | 52.1° | 59.9° |
| C12 | C11 | C19 | H19 | 171.6° | 54.9° |
| C12 | C11 | C19 | S1 | 64.9° | 65.2° |
| C12 | C11 | N10 | H37 | 59.4° | 30.1° |
| N03 | C04 | C09 | N10 | 130.5° | 159.2° |
| N03 | C04 | C09 | C05 | 119.2° | 120.0° |
| N03 | C04 | C09 | H7 | 121.2° | 120.0° |
| N03 | C04 | C05 | H7 | 120.8° | 120.0° |
| N03 | C04 | C05 | C06 | 60.4° | 176.0° |
| N03 | C04 | C09 | O21 | 47.9° | 20.8° |
| N03 | C04 | C05 | H8 | 59.9° | 56.1° |
| N03 | C04 | C05 | H9 | 179.3° | 64.0° |
| C11 | N10 | C09 | H37 | 180.0° | 179.9° |
| C11 | N10 | C09 | C04 | 179.7° | 173.4° |
| N10 | C11 | C19 | H1 | 117.0° | 120.1° |
| C11 | N10 | C09 | O21 | 1.8° | 6.5° |
| N10 | C11 | C19 | O20 | 178.6° | 54.8° |
| N10 | C11 | C12 | H2 | 177.0° | 59.6° |
| N10 | C11 | C12 | H3 | 64.6° | 179.6° |
| N10 | C11 | C19 | H19 | 63.3° | 65.2° |
| N10 | C11 | C19 | S1 | 60.1° | 174.8° |
| N10 | C09 | C04 | O21 | 178.4° | 180.0° |
| N10 | C09 | C04 | C05 | 110.2° | 80.8° |
| C09 | N10 | C11 | C19 | 113.0° | 90.2° |
| C09 | N10 | C11 | H1 | 3.4° | 29.8° |
| N10 | C09 | C04 | H7 | 9.3° | 39.2° |
| C09 | C04 | C05 | H7 | 119.5° | 120.0° |
| C09 | C04 | C05 | C06 | 179.9° | 64.0° |
| C09 | C04 | C05 | H8 | 59.7° | 176.1° |
| C09 | C04 | C05 | H9 | 59.6° | 56.0° |
| C09 | C04 | N03 | H36 | 115.2° | 28.6° |
| C04 | C09 | N10 | H37 | 0.3° | 6.5° |
| C04 | C05 | C06 | H8 | 120.3° | 119.9° |
| C04 | C05 | C06 | H9 | 120.3° | 120.0° |
| C04 | C05 | C06 | C08 | 173.6° | 175.1° |
| C05 | C04 | C09 | O21 | 71.3° | 99.2° |
| C04 | C05 | H8 | H9 | 119.1° | 120.0° |
| C04 | C05 | C06 | H10 | 55.6° | 55.1° |
| C05 | C04 | N03 | H36 | 4.1° | 91.4° |
| C05 | C06 | C08 | H10 | 118.0° | 120.0° |
| C06 | C05 | C04 | H7 | 60.4° | 56.0° |
| C06 | C05 | H8 | H9 | 119.0° | 120.0° |
| C05 | C06 | C07 | H11 | 180.0° | 64.0° |
| C05 | C06 | C07 | H12 | 60.0° | 176.0° |
| C05 | C06 | C07 | H13 | 60.0° | 56.0° |
| C05 | C06 | C08 | H14 | 56.1° | 60.0° |
| C05 | C06 | C08 | H15 | 63.9° | 180.0° |
| C05 | C06 | C08 | H16 | 176.2° | 60.0° |
| C08 | C06 | C05 | H8 | 53.3° | 64.9° |
| C08 | C06 | C05 | H9 | 66.1° | 55.1° |
| C08 | C06 | C07 | H11 | 56.0° | 56.0° |
| C08 | C06 | C07 | H12 | 64.0° | 64.0° |
| C08 | C06 | C07 | H13 | 176.0° | 176.0° |
| C06 | C08 | H14 | H15 | 120.0° | 119.9° |
| C06 | C08 | H14 | H16 | 120.0° | 120.0° |
| C06 | C08 | H15 | H16 | 120.0° | 120.0° |
| C11 | C19 | O20 | H19 | 117.1° | 120.0° |
| C11 | C19 | O20 | S1 | 118.5° | 120.0° |
| C19 | C11 | C12 | H2 | 59.0° | 60.4° |
| C19 | C11 | C12 | H3 | 59.3° | 59.6° |
| C11 | C19 | H19 | S1 | 119.4° | 120.0° |
| C19 | C11 | N10 | H37 | 67.0° | 89.9° |
| C11 | C19 | O20 | H39 | 180.0° | 60.0° |
| C11 | C19 | S1 | O1 | 75.1° | 178.9° |
| C11 | C19 | S1 | O2 | 75.1° | 44.4° |
| C11 | C19 | S1 | O3 | 75.1° | 67.3° |
| O21 | C09 | C04 | H7 | 169.2° | 140.8° |
| O21 | C09 | N10 | H37 | 178.2° | 173.5° |
| O20 | C19 | C11 | H1 | 64.4° | 65.2° |
| O20 | C19 | H19 | S1 | 120.5° | 120.0° |
| O20 | C19 | S1 | O1 | 45.4° | 61.2° |
| O20 | C19 | S1 | O2 | 45.4° | 75.6° |
| O20 | C19 | S1 | O3 | 45.4° | 172.8° |
| H1 | C11 | C12 | H2 | 59.1° | 179.7° |
| H1 | C11 | C12 | H3 | 177.5° | 60.4° |
| H1 | C11 | C19 | H19 | 53.7° | 174.8° |
| H1 | C11 | C19 | S1 | 177.1° | 54.8° |
| H1 | C11 | N10 | H37 | 176.6° | 150.1° |
| H2 | C12 | C13 | H4 | 172.9° | 60.1° |
| H3 | C12 | C13 | H4 | 68.7° | 179.9° |
| H4 | C13 | C17 | H17 | 140.5° | 147.9° |
| H4 | C13 | C17 | H18 | 19.8° | 24.1° |
| H5 | C16 | C17 | H17 | 139.5° | 26.3° |
| H5 | C16 | C17 | H18 | 18.9° | 97.5° |
| H5 | C16 | N15 | H38 | 72.5° | 44.0° |
| H6 | C16 | C17 | H17 | 19.2° | 148.2° |
| H6 | C16 | C17 | H18 | 101.4° | 24.4° |
| H6 | C16 | N15 | H38 | 47.9° | 78.0° |
| H7 | C04 | C05 | H8 | 179.3° | 63.9° |
| H7 | C04 | C05 | H9 | 59.9° | 176.0° |
| H7 | C04 | N03 | H36 | 124.2° | 148.5° |
| H8 | C05 | C06 | H10 | 64.7° | 175.1° |
| H9 | C05 | C06 | H10 | 175.9° | 64.9° |
| H10 | C06 | C07 | H11 | 62.1° | 176.0° |
| H10 | C06 | C07 | H12 | 177.9° | 56.0° |
| H10 | C06 | C07 | H13 | 57.9° | 64.0° |
| H10 | C06 | C08 | H14 | 61.9° | 60.0° |
| H10 | C06 | C08 | H15 | 178.1° | 60.0° |
| H10 | C06 | C08 | H16 | 58.1° | 180.0° |
| H11 | C07 | H12 | H13 | 120.0° | 120.0° |
| H14 | C08 | H15 | H16 | 120.0° | 120.0° |
| H19 | C19 | O20 | H39 | 62.8° | 60.0° |
| H19 | C19 | S1 | O1 | 166.1° | 58.9° |
| H19 | C19 | S1 | O2 | 166.1° | 164.4° |
| H19 | C19 | S1 | O3 | 166.1° | 52.7° |
| S1 | C19 | O20 | H39 | 61.5° | 180.0° |
| C19 | S1 | O1 | O2 | 90.0° | 131.5° |
| C19 | S1 | O1 | O3 | 90.0° | 111.7° |
| C19 | S1 | O2 | O3 | 90.0° | 111.7° |
| C19 | S1 | O3 | H20 | 90.0° | 180.0° |
| H21 | C23 | C24 | H22 | 172.8° | 60.0° |
| H21 | C23 | C24 | H23 | 53.5° | 180.0° |
| H21 | C23 | C30 | H34 | 52.5° | NaN° |
| H21 | C23 | C30 | H35 | 171.5° | 60.0° |
| H22 | C24 | C25 | H24 | 54.1° | 59.9° |
| H22 | C24 | C25 | H25 | 173.2° | 60.0° |
| H23 | C24 | C25 | H24 | 65.3° | 180.0° |
| H23 | C24 | C25 | H25 | 53.9° | 60.0° |
| H26 | C27 | H27 | H28 | 120.0° | 120.0° |
| H29 | C28 | H30 | H31 | 120.0° | 120.0° |
| H32 | C29 | C30 | H34 | 51.4° | 180.0° |
| H32 | C29 | C30 | H35 | 170.4° | 60.0° |
| H33 | C29 | C30 | H34 | 67.7° | 60.0° |
| H33 | C29 | C30 | H35 | 51.3° | 60.0° |
| O1 | S1 | O2 | O3 | 90.0° | 116.8° |
| O1 | S1 | O3 | H20 | 90.0° | 64.0° |
| O2 | S1 | O3 | H20 | 90.0° | 63.9° |
