VLU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C32 | CL33 | sing | 1.74Å | 1.79Å | |
| C32 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C34 | sing | 1.39Å | 1.38Å | Aromatic |
| C28 | S27 | sing | 1.76Å | 1.82Å | |
| C26 | C24 | sing | 1.53Å | 1.53Å | |
| S27 | C24 | sing | 1.81Å | 1.83Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C23 | O22 | sing | 1.45Å | 1.40Å | |
| O22 | C02 | sing | 1.35Å | 1.40Å | |
| C16 | C17 | sing | 1.55Å | 1.54Å | |
| C16 | N15 | sing | 1.47Å | 1.44Å | |
| C02 | N03 | sing | 1.35Å | 1.44Å | |
| C02 | O01 | doub | 1.21Å | 1.19Å | |
| N03 | C04 | sing | 1.46Å | 1.44Å | |
| C17 | C13 | sing | 1.55Å | 1.53Å | |
| N15 | C14 | sing | 1.34Å | 1.51Å | |
| O21 | C09 | doub | 1.21Å | 1.18Å | |
| C13 | C14 | sing | 1.51Å | 1.45Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| C09 | C04 | sing | 1.51Å | 1.52Å | |
| C09 | N10 | sing | 1.35Å | 1.45Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C14 | O18 | doub | 1.21Å | 1.19Å | |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C06 | C08 | sing | 1.53Å | 1.53Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| N10 | C11 | sing | 1.47Å | 1.44Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C19 | sing | 1.53Å | 1.54Å | |
| O20 | C19 | sing | 1.43Å | 1.39Å | |
| C19 | S2 | sing | 1.81Å | 1.80Å | |
| 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 | 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 | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | 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 | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H30 | sing | 1.08Å | 1.08Å | |
| C34 | H31 | sing | 1.08Å | 1.08Å | |
| N03 | H32 | sing | 0.97Å | 1.00Å | |
| N10 | H33 | sing | 0.97Å | 1.00Å | |
| N15 | H34 | sing | 0.97Å | 1.00Å | |
| O20 | H35 | sing | 0.97Å | 0.95Å | |
| S2 | O1 | doub | 1.42Å | 1.81Å | |
| S2 | O2 | doub | 1.42Å | 20.11Å | |
| S2 | O3 | sing | 1.52Å | 20.11Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| O3 | H36 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C30 | C29 | 119.9° | 120.1° |
| C30 | C31 | C32 | 120.1° | 120.2° |
| C31 | C30 | H29 | 120.1° | 119.9° |
| C30 | C31 | H30 | 119.9° | 119.9° |
| C30 | C29 | C28 | 119.9° | 119.9° |
| C30 | C29 | H28 | 120.1° | 120.1° |
| C29 | C30 | H29 | 120.0° | 120.0° |
| C31 | C32 | CL33 | 120.7° | 120.0° |
| C31 | C32 | C34 | 119.9° | 120.0° |
| C32 | C31 | H30 | 119.9° | 119.9° |
| C29 | C28 | C34 | 120.2° | 119.8° |
| C29 | C28 | S27 | 119.9° | 120.1° |
| C28 | C29 | H28 | 120.1° | 120.0° |
| CL33 | C32 | C34 | 119.4° | 120.0° |
| C32 | C34 | C28 | 120.0° | 119.9° |
| C32 | C34 | H31 | 120.0° | 120.1° |
| C34 | C28 | S27 | 119.9° | 120.1° |
| C28 | C34 | H31 | 120.0° | 120.0° |
| C28 | S27 | C24 | 108.5° | 103.0° |
| C26 | C24 | S27 | 109.2° | 109.5° |
| C26 | C24 | C23 | 111.4° | 109.5° |
| C26 | C24 | C25 | 108.4° | 109.5° |
| C24 | C26 | H25 | 109.5° | 109.5° |
| C24 | C26 | H26 | 109.5° | 109.5° |
| C24 | C26 | H27 | 109.5° | 109.5° |
| S27 | C24 | C23 | 108.8° | 109.4° |
| S27 | C24 | C25 | 109.7° | 109.5° |
| C23 | C24 | C25 | 109.2° | 109.5° |
| C24 | C23 | O22 | 111.5° | 109.5° |
| C24 | C23 | H20 | 109.0° | 109.5° |
| C24 | C23 | H21 | 109.0° | 109.5° |
| C24 | C25 | H22 | 109.5° | 109.5° |
| C24 | C25 | H23 | 109.5° | 109.5° |
| C24 | C25 | H24 | 109.5° | 109.5° |
| C23 | O22 | C02 | 115.2° | 117.0° |
| O22 | C23 | H20 | 108.9° | 109.5° |
| O22 | C23 | H21 | 108.9° | 109.5° |
| O22 | C02 | N03 | 118.5° | 120.0° |
| O22 | C02 | O01 | 122.3° | 120.0° |
| C17 | C16 | N15 | 106.7° | 105.4° |
| C16 | C17 | C13 | 105.9° | 101.8° |
| C17 | C16 | H15 | 110.1° | 110.3° |
| C17 | C16 | H16 | 110.1° | 110.2° |
| C16 | C17 | H17 | 110.4° | 110.9° |
| C16 | C17 | H18 | 110.4° | 111.0° |
| C16 | N15 | C14 | 109.2° | 111.3° |
| N15 | C16 | H15 | 110.2° | 110.3° |
| N15 | C16 | H16 | 110.2° | 110.2° |
| C16 | N15 | H34 | 125.4° | 124.3° |
| N03 | C02 | O01 | 119.1° | 120.0° |
| C02 | N03 | C04 | 118.6° | 120.0° |
| C02 | N03 | H32 | 120.7° | 120.0° |
| N03 | C04 | C09 | 109.6° | 109.5° |
| N03 | C04 | C05 | 108.9° | 109.4° |
| N03 | C04 | H1 | 110.1° | 109.5° |
| C04 | N03 | H32 | 120.7° | 120.1° |
| C17 | C13 | C14 | 106.7° | 104.2° |
| C17 | C13 | C12 | 109.6° | 110.5° |
| C17 | C13 | H14 | 110.0° | 110.6° |
| C13 | C17 | H17 | 110.4° | 111.0° |
| C13 | C17 | H18 | 110.3° | 111.0° |
| N15 | C14 | C13 | 108.6° | 110.1° |
| N15 | C14 | O18 | 125.4° | 125.0° |
| C14 | N15 | H34 | 125.4° | 124.4° |
| O21 | C09 | C04 | 121.6° | 120.0° |
| O21 | C09 | N10 | 121.3° | 120.0° |
| C14 | C13 | C12 | 109.8° | 110.5° |
| C13 | C14 | O18 | 126.0° | 124.9° |
| C14 | C13 | H14 | 111.0° | 110.5° |
| C13 | C12 | C11 | 112.0° | 109.5° |
| C13 | C12 | H12 | 108.9° | 109.5° |
| C13 | C12 | H13 | 108.8° | 109.5° |
| C12 | C13 | H14 | 109.7° | 110.4° |
| C04 | C09 | N10 | 117.2° | 120.0° |
| C09 | C04 | C05 | 110.0° | 109.5° |
| C09 | C04 | H1 | 109.1° | 109.5° |
| C09 | N10 | C11 | 121.3° | 120.0° |
| C09 | N10 | H33 | 119.3° | 120.0° |
| C04 | C05 | C06 | 113.3° | 109.5° |
| C05 | C04 | H1 | 109.0° | 109.5° |
| C04 | C05 | H2 | 108.5° | 109.5° |
| C04 | C05 | H3 | 108.5° | 109.5° |
| C05 | C06 | C08 | 112.4° | 109.5° |
| C05 | C06 | C07 | 112.1° | 109.5° |
| C06 | C05 | H2 | 108.5° | 109.5° |
| C06 | C05 | H3 | 108.5° | 109.4° |
| C05 | C06 | H4 | 107.2° | 109.4° |
| C08 | C06 | C07 | 110.2° | 109.5° |
| C08 | C06 | H4 | 107.3° | 109.4° |
| C06 | C08 | H8 | 109.5° | 109.4° |
| C06 | C08 | H9 | 109.5° | 109.5° |
| C06 | C08 | H10 | 109.5° | 109.4° |
| C07 | C06 | H4 | 107.3° | 109.5° |
| C06 | C07 | H5 | 109.5° | 109.4° |
| C06 | C07 | H7 | 109.5° | 109.4° |
| C06 | C07 | H6 | 109.5° | 109.4° |
| N10 | C11 | C12 | 109.9° | 109.5° |
| N10 | C11 | C19 | 105.9° | 109.5° |
| N10 | C11 | H11 | 110.4° | 109.4° |
| C11 | N10 | H33 | 119.4° | 120.0° |
| C12 | C11 | C19 | 112.5° | 109.5° |
| C12 | C11 | H11 | 109.1° | 109.5° |
| C11 | C12 | H12 | 108.9° | 109.4° |
| C11 | C12 | H13 | 108.9° | 109.5° |
| C11 | C19 | O20 | 105.1° | 109.5° |
| C11 | C19 | S2 | 109.6° | 109.4° |
| C19 | C11 | H11 | 109.0° | 109.5° |
| C11 | C19 | H19 | 112.1° | 109.5° |
| O20 | C19 | S2 | 106.3° | 109.5° |
| O20 | C19 | H19 | 114.7° | 109.5° |
| C19 | O20 | H35 | 109.5° | 114.0° |
| S2 | C19 | H19 | 108.8° | 109.5° |
| C19 | S2 | O1 | 101.0° | 110.6° |
| C19 | S2 | O2 | 57.3° | 110.5° |
| C19 | S2 | O3 | 57.3° | 104.5° |
| H2 | C05 | H3 | 109.5° | 109.4° |
| H5 | C07 | H7 | 109.5° | 109.5° |
| H5 | C07 | H6 | 109.5° | 109.5° |
| H7 | C07 | H6 | 109.4° | 109.5° |
| H8 | C08 | H9 | 109.5° | 109.5° |
| H8 | C08 | H10 | 109.5° | 109.5° |
| H9 | C08 | H10 | 109.4° | 109.5° |
| H12 | C12 | H13 | 109.4° | 109.5° |
| H15 | C16 | H16 | 109.5° | 110.4° |
| H17 | C17 | H18 | 109.5° | 110.9° |
| H20 | C23 | H21 | 109.5° | 109.4° |
| H22 | C25 | H23 | 109.5° | 109.4° |
| H22 | C25 | H24 | 109.5° | 109.5° |
| H23 | C25 | H24 | 109.4° | 109.5° |
| H25 | C26 | H26 | 109.5° | 109.5° |
| H25 | C26 | H27 | 109.4° | 109.4° |
| H26 | C26 | H27 | 109.5° | 109.6° |
| O1 | S2 | O2 | 95.9° | 121.0° |
| O1 | S2 | O3 | 95.9° | 104.3° |
| O2 | S2 | O3 | 0.0° | 104.3° |
| S2 | O3 | H36 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C30 | C29 | H29 | 180.0° | 179.9° |
| C30 | C31 | C32 | H30 | 180.0° | 180.0° |
| C31 | C30 | C29 | C28 | 0.0° | 0.1° |
| C30 | C31 | C32 | CL33 | 180.0° | 180.0° |
| C30 | C31 | C32 | C34 | 0.1° | 0.0° |
| C31 | C30 | C29 | H28 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.0° | 0.1° |
| C30 | C29 | C28 | H28 | 180.0° | 180.0° |
| C30 | C29 | C28 | C34 | 0.1° | 0.1° |
| C30 | C29 | C28 | S27 | 179.9° | 179.7° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| C31 | C32 | CL33 | C34 | 179.8° | 180.0° |
| C31 | C32 | C34 | C28 | 0.2° | 0.1° |
| C32 | C31 | C30 | H29 | 180.0° | 180.0° |
| C31 | C32 | C34 | H31 | 179.8° | 179.7° |
| C29 | C28 | C34 | C32 | 0.2° | 0.1° |
| C29 | C28 | C34 | S27 | 180.0° | 179.8° |
| C29 | C28 | S27 | C24 | 99.9° | 5.2° |
| C28 | C29 | C30 | H29 | 180.0° | 180.0° |
| C29 | C28 | C34 | H31 | 179.8° | 179.7° |
| CL33 | C32 | C34 | C28 | 180.0° | 180.0° |
| CL33 | C32 | C31 | H30 | 0.1° | 0.0° |
| CL33 | C32 | C34 | H31 | 0.1° | 0.3° |
| C32 | C34 | C28 | H31 | 180.0° | 179.7° |
| C32 | C34 | C28 | S27 | 179.8° | 179.7° |
| C34 | C32 | C31 | H30 | 179.9° | 180.0° |
| C34 | C28 | S27 | C24 | 80.0° | 174.6° |
| C34 | C28 | C29 | H28 | 179.9° | 179.9° |
| C28 | S27 | C24 | C26 | 56.0° | 55.8° |
| C28 | S27 | C24 | C23 | 65.8° | 175.7° |
| C28 | S27 | C24 | C25 | 174.7° | 64.3° |
| S27 | C28 | C29 | H28 | 0.1° | 0.3° |
| S27 | C28 | C34 | H31 | 0.2° | 0.1° |
| C26 | C24 | S27 | C23 | 121.8° | 120.0° |
| C26 | C24 | S27 | C25 | 118.7° | 120.0° |
| C26 | C24 | C23 | C25 | 119.8° | 120.0° |
| C26 | C24 | C23 | O22 | 34.0° | 60.0° |
| C26 | C24 | C23 | H20 | 86.3° | 180.0° |
| C26 | C24 | C23 | H21 | 154.3° | 60.0° |
| C26 | C24 | C25 | H22 | 180.0° | 42.3° |
| C26 | C24 | C25 | H23 | 60.0° | 77.7° |
| C26 | C24 | C25 | H24 | 60.0° | 162.3° |
| C24 | C26 | H25 | H26 | 120.0° | 120.0° |
| C24 | C26 | H25 | H27 | 120.0° | 119.9° |
| C24 | C26 | H26 | H27 | 120.0° | 120.0° |
| S27 | C24 | C23 | C25 | 119.7° | 120.0° |
| S27 | C24 | C23 | O22 | 154.5° | 180.0° |
| S27 | C24 | C23 | H20 | 34.2° | 60.0° |
| S27 | C24 | C23 | H21 | 85.2° | 60.0° |
| S27 | C24 | C25 | H22 | 60.8° | 162.3° |
| S27 | C24 | C25 | H23 | 59.2° | 42.3° |
| S27 | C24 | C25 | H24 | 179.2° | 77.7° |
| S27 | C24 | C26 | H25 | 180.0° | 71.8° |
| S27 | C24 | C26 | H26 | 60.0° | 48.2° |
| S27 | C24 | C26 | H27 | 60.0° | 168.2° |
| C24 | C23 | O22 | H20 | 120.3° | 120.0° |
| C24 | C23 | O22 | H21 | 120.3° | 120.1° |
| C24 | C23 | O22 | C02 | 136.9° | 180.0° |
| C24 | C23 | H20 | H21 | 119.1° | 120.0° |
| C23 | C24 | C25 | H22 | 58.4° | 77.8° |
| C23 | C24 | C25 | H23 | 178.4° | 162.3° |
| C23 | C24 | C25 | H24 | 61.6° | 42.2° |
| C23 | C24 | C26 | H25 | 59.7° | 48.1° |
| C23 | C24 | C26 | H26 | 179.7° | 168.1° |
| C23 | C24 | C26 | H27 | 60.3° | 71.8° |
| C25 | C24 | C23 | O22 | 85.8° | 60.0° |
| C25 | C24 | C23 | H20 | 153.9° | 60.0° |
| C25 | C24 | C23 | H21 | 34.5° | 180.0° |
| C24 | C25 | H22 | H23 | 120.0° | 120.0° |
| C24 | C25 | H22 | H24 | 120.0° | 120.0° |
| C24 | C25 | H23 | H24 | 120.0° | 120.1° |
| C25 | C24 | C26 | H25 | 60.5° | 168.1° |
| C25 | C24 | C26 | H26 | 59.5° | 71.9° |
| C25 | C24 | C26 | H27 | 179.5° | 48.2° |
| C23 | O22 | C02 | N03 | 151.7° | 180.0° |
| C23 | O22 | C02 | O01 | 28.0° | 0.3° |
| O22 | C23 | H20 | H21 | 119.0° | 120.0° |
| O22 | C02 | N03 | O01 | 179.7° | 179.7° |
| O22 | C02 | N03 | C04 | 162.4° | 179.7° |
| C02 | O22 | C23 | H20 | 102.8° | 60.0° |
| C02 | O22 | C23 | H21 | 16.6° | 60.0° |
| O22 | C02 | N03 | H32 | 17.6° | 0.3° |
| C17 | C16 | N15 | H15 | 119.5° | 119.0° |
| C17 | C16 | N15 | H16 | 119.5° | 118.9° |
| C16 | C17 | C13 | H17 | 119.4° | 118.1° |
| C16 | C17 | C13 | H18 | 119.4° | 118.1° |
| C17 | C16 | N15 | C14 | 10.6° | 17.0° |
| C16 | C17 | C13 | C14 | 16.5° | 24.8° |
| C16 | C17 | C13 | C12 | 135.4° | 93.9° |
| C16 | C17 | C13 | H14 | 104.0° | 143.6° |
| C17 | C16 | H15 | H16 | 121.3° | 122.0° |
| C16 | C17 | H17 | H18 | 121.7° | 123.8° |
| C17 | C16 | N15 | H34 | 169.4° | 163.0° |
| N15 | C16 | C17 | C13 | 16.7° | 25.4° |
| C16 | N15 | C14 | H34 | 180.0° | 180.0° |
| C16 | N15 | C14 | C13 | 0.2° | 0.4° |
| C16 | N15 | C14 | O18 | 178.8° | 179.6° |
| N15 | C16 | H15 | H16 | 121.3° | 122.0° |
| N15 | C16 | C17 | H17 | 136.1° | 143.5° |
| N15 | C16 | C17 | H18 | 102.7° | 92.7° |
| C02 | N03 | C04 | H32 | 180.0° | 180.0° |
| C02 | N03 | C04 | C09 | 89.3° | 155.0° |
| C02 | N03 | C04 | C05 | 150.3° | 85.0° |
| C02 | N03 | C04 | H1 | 30.8° | 35.0° |
| O01 | C02 | N03 | C04 | 17.4° | 0.0° |
| O01 | C02 | N03 | H32 | 162.6° | 180.0° |
| N03 | C04 | C09 | O21 | 30.4° | 0.0° |
| N03 | C04 | C09 | C05 | 119.8° | 120.0° |
| N03 | C04 | C09 | H1 | 120.7° | 120.0° |
| N03 | C04 | C09 | N10 | 149.8° | 180.0° |
| N03 | C04 | C05 | H1 | 120.2° | 120.0° |
| N03 | C04 | C05 | C06 | 59.0° | 65.0° |
| N03 | C04 | C05 | H2 | 61.6° | 55.0° |
| N03 | C04 | C05 | H3 | 179.5° | 175.0° |
| C17 | C13 | C14 | N15 | 10.4° | 16.3° |
| C17 | C13 | C14 | C12 | 118.7° | 118.7° |
| C17 | C13 | C14 | H14 | 119.9° | 118.8° |
| C17 | C13 | C12 | H14 | 120.8° | 122.7° |
| C17 | C13 | C14 | O18 | 168.2° | 163.7° |
| C17 | C13 | C12 | C11 | 63.1° | 178.8° |
| C17 | C13 | C12 | H12 | 57.3° | 61.3° |
| C17 | C13 | C12 | H13 | 176.5° | 58.7° |
| C13 | C17 | C16 | H15 | 136.2° | 93.6° |
| C13 | C17 | C16 | H16 | 102.9° | 144.4° |
| C13 | C17 | H17 | H18 | 121.6° | 123.8° |
| N15 | C14 | C13 | O18 | 178.6° | 180.0° |
| N15 | C14 | C13 | C12 | 129.1° | 102.4° |
| N15 | C14 | C13 | H14 | 109.5° | 135.1° |
| C14 | N15 | C16 | H15 | 130.1° | 102.0° |
| C14 | N15 | C16 | H16 | 108.9° | 136.0° |
| O21 | C09 | C04 | N10 | 179.8° | 180.0° |
| O21 | C09 | C04 | C05 | 89.4° | 120.0° |
| O21 | C09 | N10 | C11 | 1.0° | 0.0° |
| O21 | C09 | C04 | H1 | 151.1° | 120.0° |
| O21 | C09 | N10 | H33 | 179.0° | 179.9° |
| C14 | C13 | C12 | H14 | 122.3° | 122.5° |
| C14 | C13 | C12 | C11 | 180.0° | 66.4° |
| C14 | C13 | C12 | H12 | 59.7° | 53.5° |
| C14 | C13 | C12 | H13 | 59.6° | 173.5° |
| C14 | C13 | C17 | H17 | 136.0° | 142.9° |
| C14 | C13 | C17 | H18 | 102.9° | 93.3° |
| C13 | C14 | N15 | H34 | 179.8° | 179.6° |
| C12 | C13 | C14 | O18 | 49.5° | 77.6° |
| C13 | C12 | C11 | N10 | 71.3° | 64.9° |
| C13 | C12 | C11 | H12 | 120.4° | 120.0° |
| C13 | C12 | C11 | H13 | 120.4° | 120.0° |
| C13 | C12 | C11 | C19 | 171.0° | 175.0° |
| C13 | C12 | C11 | H11 | 49.9° | 55.0° |
| C13 | C12 | H12 | H13 | 118.8° | 120.0° |
| C12 | C13 | C17 | H17 | 105.2° | 24.2° |
| C12 | C13 | C17 | H18 | 15.9° | 148.0° |
| C09 | C04 | C05 | H1 | 119.6° | 120.0° |
| C09 | C04 | C05 | C06 | 179.1° | 175.0° |
| C04 | C09 | N10 | C11 | 178.8° | 180.0° |
| C09 | C04 | C05 | H2 | 58.5° | 65.0° |
| C09 | C04 | C05 | H3 | 60.3° | 55.0° |
| C09 | C04 | N03 | H32 | 90.7° | 25.0° |
| C04 | C09 | N10 | H33 | 1.2° | 0.1° |
| N10 | C09 | C04 | C05 | 90.4° | 60.0° |
| C09 | N10 | C11 | H33 | 180.0° | 179.9° |
| C09 | N10 | C11 | C12 | 113.0° | 155.0° |
| C09 | N10 | C11 | C19 | 125.3° | 85.0° |
| N10 | C09 | C04 | H1 | 29.1° | 60.0° |
| C09 | N10 | C11 | H11 | 7.4° | 35.0° |
| C04 | C05 | C06 | H2 | 120.5° | 120.1° |
| C04 | C05 | C06 | H3 | 120.6° | 120.0° |
| C04 | C05 | C06 | C08 | 39.6° | 65.0° |
| C04 | C05 | C06 | C07 | 164.5° | 175.0° |
| C04 | C05 | H2 | H3 | 118.3° | 120.0° |
| C04 | C05 | C06 | H4 | 78.0° | 55.0° |
| C05 | C04 | N03 | H32 | 29.7° | 95.0° |
| O18 | C14 | C13 | H14 | 71.9° | 44.9° |
| O18 | C14 | N15 | H34 | 1.2° | 0.4° |
| C05 | C06 | C08 | C07 | 125.9° | 120.0° |
| C05 | C06 | C08 | H4 | 117.6° | 119.9° |
| C05 | C06 | C07 | H4 | 117.5° | 120.0° |
| C06 | C05 | C04 | H1 | 61.3° | 55.0° |
| C06 | C05 | H2 | H3 | 118.2° | 119.9° |
| C05 | C06 | C07 | H5 | 180.0° | 60.0° |
| C05 | C06 | C07 | H7 | 60.0° | 180.0° |
| C05 | C06 | C08 | H8 | 180.0° | 60.0° |
| C05 | C06 | C08 | H9 | 60.0° | 180.0° |
| C05 | C06 | C08 | H10 | 60.0° | 60.0° |
| C05 | C06 | C07 | H6 | 60.0° | 60.0° |
| C08 | C06 | C07 | H4 | 116.5° | 120.0° |
| C08 | C06 | C05 | H2 | 160.2° | 175.0° |
| C08 | C06 | C05 | H3 | 81.0° | 55.1° |
| C08 | C06 | C07 | H5 | 53.9° | 60.0° |
| C08 | C06 | C07 | H7 | 173.9° | 60.0° |
| C06 | C08 | H8 | H9 | 120.0° | 120.0° |
| C06 | C08 | H8 | H10 | 120.0° | 119.9° |
| C06 | C08 | H9 | H10 | 120.0° | 120.0° |
| C08 | C06 | C07 | H6 | 66.1° | 180.0° |
| C07 | C06 | C05 | H2 | 75.0° | 54.9° |
| C07 | C06 | C05 | H3 | 43.9° | 65.0° |
| C06 | C07 | H5 | H7 | 120.0° | 119.9° |
| C06 | C07 | H5 | H6 | 120.0° | 120.0° |
| C06 | C07 | H7 | H6 | 120.0° | 119.9° |
| C07 | C06 | C08 | H8 | 54.1° | 180.0° |
| C07 | C06 | C08 | H9 | 65.9° | 60.0° |
| C07 | C06 | C08 | H10 | 174.1° | 60.0° |
| N10 | C11 | C12 | C19 | 117.7° | 120.1° |
| N10 | C11 | C12 | H11 | 121.2° | 120.0° |
| N10 | C11 | C19 | H11 | 118.8° | 120.0° |
| N10 | C11 | C19 | O20 | 59.0° | 65.0° |
| N10 | C11 | C19 | S2 | 54.9° | 55.0° |
| N10 | C11 | C12 | H12 | 168.3° | 55.0° |
| N10 | C11 | C12 | H13 | 49.0° | 175.0° |
| N10 | C11 | C19 | H19 | 175.8° | 175.0° |
| C12 | C11 | C19 | H11 | 121.1° | 120.0° |
| C12 | C11 | C19 | O20 | 179.1° | 175.0° |
| C12 | C11 | C19 | S2 | 65.2° | 65.0° |
| C11 | C12 | H12 | H13 | 118.9° | 120.0° |
| C11 | C12 | C13 | H14 | 57.7° | 56.1° |
| C12 | C11 | C19 | H19 | 55.7° | 55.0° |
| C12 | C11 | N10 | H33 | 67.0° | 25.1° |
| C11 | C19 | O20 | S2 | 116.2° | 120.0° |
| C11 | C19 | O20 | H19 | 123.6° | 120.0° |
| C11 | C19 | S2 | H19 | 122.9° | 120.0° |
| C19 | C11 | C12 | H12 | 50.6° | 65.0° |
| C19 | C11 | C12 | H13 | 68.7° | 55.0° |
| C19 | C11 | N10 | H33 | 54.7° | 95.0° |
| C11 | C19 | O20 | H35 | 180.0° | 59.9° |
| C11 | C19 | S2 | O1 | 169.5° | 68.3° |
| C11 | C19 | S2 | O2 | 79.6° | 68.4° |
| C11 | C19 | S2 | O3 | 79.6° | 180.0° |
| O20 | C19 | S2 | H19 | 123.9° | 120.0° |
| O20 | C19 | C11 | H11 | 59.8° | 55.0° |
| O20 | C19 | S2 | O1 | 77.4° | 171.7° |
| O20 | C19 | S2 | O2 | 167.3° | 51.6° |
| O20 | C19 | S2 | O3 | 167.3° | 60.0° |
| S2 | C19 | C11 | H11 | 173.6° | 175.0° |
| S2 | C19 | O20 | H35 | 63.8° | 60.0° |
| C19 | S2 | O1 | O2 | 57.8° | 131.5° |
| C19 | S2 | O1 | O3 | 57.8° | 111.8° |
| C19 | S2 | O2 | O3 | 90.0° | 111.7° |
| C19 | S2 | O3 | H36 | 90.0° | 180.0° |
| H1 | C04 | C05 | H2 | 178.2° | 175.0° |
| H1 | C04 | C05 | H3 | 59.3° | 65.0° |
| H1 | C04 | N03 | H32 | 149.2° | 145.0° |
| H2 | C05 | C06 | H4 | 42.5° | 65.1° |
| H3 | C05 | C06 | H4 | 161.4° | 175.0° |
| H4 | C06 | C07 | H5 | 62.5° | 180.0° |
| H4 | C06 | C07 | H7 | 57.5° | 60.0° |
| H4 | C06 | C08 | H8 | 62.4° | 60.0° |
| H4 | C06 | C08 | H9 | 177.6° | 60.0° |
| H4 | C06 | C08 | H10 | 57.7° | 179.9° |
| H4 | C06 | C07 | H6 | 177.5° | 60.0° |
| H5 | C07 | H7 | H6 | 120.0° | 120.1° |
| H8 | C08 | H9 | H10 | 120.0° | 120.1° |
| H11 | C11 | C12 | H12 | 70.5° | 175.0° |
| H11 | C11 | C12 | H13 | 170.2° | 65.0° |
| H11 | C11 | C19 | H19 | 65.4° | 65.0° |
| H11 | C11 | N10 | H33 | 172.6° | 145.0° |
| H12 | C12 | C13 | H14 | 178.1° | 176.1° |
| H13 | C12 | C13 | H14 | 62.7° | 63.9° |
| H14 | C13 | C17 | H17 | 15.4° | 98.4° |
| H14 | C13 | C17 | H18 | 136.5° | 25.4° |
| H15 | C16 | C17 | H17 | 104.3° | 24.5° |
| H15 | C16 | C17 | H18 | 16.8° | 148.3° |
| H15 | C16 | N15 | H34 | 49.8° | 78.0° |
| H16 | C16 | C17 | H17 | 16.6° | 97.6° |
| H16 | C16 | C17 | H18 | 137.7° | 26.2° |
| H16 | C16 | N15 | H34 | 71.1° | 44.1° |
| H19 | C19 | O20 | H35 | 56.4° | 180.0° |
| H19 | C19 | S2 | O1 | 46.6° | 51.6° |
| H19 | C19 | S2 | O2 | 43.3° | 171.7° |
| H19 | C19 | S2 | O3 | 43.3° | 60.0° |
| H22 | C25 | H23 | H24 | 120.0° | 120.0° |
| H25 | C26 | H26 | H27 | 120.0° | 120.0° |
| H28 | C29 | C30 | H29 | 0.0° | 0.0° |
| H29 | C30 | C31 | H30 | 0.0° | 0.1° |
| O1 | S2 | O2 | O3 | 90.0° | 116.7° |
| O1 | S2 | O3 | H36 | 90.0° | 63.9° |
| O2 | S2 | O3 | H36 | 90.0° | 63.9° |
