VM0
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 | 1.81Å | |
| 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 | |
| O22 | C23 | sing | 1.45Å | 1.40Å | |
| O22 | C02 | sing | 1.35Å | 1.40Å | |
| C16 | N15 | sing | 1.47Å | 1.44Å | |
| C16 | C17 | sing | 1.54Å | 1.54Å | |
| C02 | N03 | sing | 1.35Å | 1.44Å | |
| C02 | O01 | doub | 1.22Å | 1.19Å | |
| N03 | C04 | sing | 1.46Å | 1.44Å | |
| N15 | C14 | sing | 1.34Å | 1.51Å | |
| O21 | C09 | doub | 1.21Å | 1.18Å | |
| C17 | C13 | sing | 1.54Å | 1.53Å | |
| 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 | |
| C14 | O18 | doub | 1.21Å | 1.19Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C06 | C05 | 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 | 1.54Å | |
| C11 | C19 | sing | 1.53Å | 1.54Å | |
| C19 | O20 | sing | 1.43Å | 1.40Å | |
| C19 | S2 | sing | 1.81Å | 1.82Å | |
| C31 | H1 | sing | 1.08Å | 1.08Å | |
| C34 | H2 | sing | 1.08Å | 1.08Å | |
| N10 | H3 | sing | 0.97Å | 1.00Å | |
| N15 | H4 | sing | 0.97Å | 1.00Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.08Å | 1.08Å | |
| C30 | H18 | sing | 1.08Å | 1.08Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C04 | H25 | sing | 1.09Å | 1.10Å | |
| C05 | H26 | sing | 1.09Å | 1.10Å | |
| C05 | H27 | sing | 1.09Å | 1.10Å | |
| C06 | H28 | sing | 1.09Å | 1.10Å | |
| C07 | H29 | sing | 1.09Å | 1.10Å | |
| C07 | H30 | sing | 1.09Å | 1.10Å | |
| C07 | H31 | sing | 1.09Å | 1.10Å | |
| C08 | H32 | sing | 1.09Å | 1.10Å | |
| C08 | H33 | sing | 1.09Å | 1.10Å | |
| C08 | H34 | sing | 1.09Å | 1.10Å | |
| N03 | H35 | sing | 0.97Å | 1.00Å | |
| O20 | H36 | sing | 0.97Å | 0.95Å | |
| S2 | O1 | doub | 1.42Å | 1.81Å | |
| S2 | O2 | sing | 1.52Å | 20.11Å | |
| S2 | O3 | doub | 1.42Å | 20.11Å | |
| O2 | H9 | 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° |
| C30 | C31 | H1 | 120.0° | 119.9° |
| C31 | C30 | H18 | 120.0° | 120.0° |
| C30 | C29 | C28 | 119.8° | 119.9° |
| C30 | C29 | H17 | 120.1° | 120.0° |
| C29 | C30 | H18 | 120.0° | 119.9° |
| C31 | C32 | CL33 | 120.8° | 120.0° |
| C31 | C32 | C34 | 119.9° | 120.1° |
| C32 | C31 | H1 | 119.9° | 119.9° |
| C29 | C28 | C34 | 120.2° | 119.9° |
| C29 | C28 | S27 | 119.9° | 120.1° |
| C28 | C29 | H17 | 120.1° | 120.1° |
| CL33 | C32 | C34 | 119.4° | 120.0° |
| C32 | C34 | C28 | 120.0° | 119.9° |
| C32 | C34 | H2 | 120.0° | 120.1° |
| C34 | C28 | S27 | 119.9° | 120.1° |
| C28 | C34 | H2 | 120.0° | 120.0° |
| C28 | S27 | C24 | 108.8° | 103.0° |
| C26 | C24 | S27 | 109.2° | 109.5° |
| C26 | C24 | C23 | 111.4° | 109.5° |
| C26 | C24 | C25 | 108.4° | 109.4° |
| C24 | C26 | H22 | 109.5° | 109.4° |
| C24 | C26 | H23 | 109.4° | 109.5° |
| C24 | C26 | H24 | 109.4° | 109.5° |
| S27 | C24 | C23 | 108.8° | 109.5° |
| S27 | C24 | C25 | 109.5° | 109.5° |
| C23 | C24 | C25 | 109.4° | 109.5° |
| C24 | C23 | O22 | 111.9° | 109.5° |
| C24 | C23 | H15 | 108.9° | 109.5° |
| C24 | C23 | H16 | 108.8° | 109.5° |
| C24 | C25 | H19 | 109.5° | 109.5° |
| C24 | C25 | H20 | 109.5° | 109.5° |
| C24 | C25 | H21 | 109.5° | 109.5° |
| C23 | O22 | C02 | 114.8° | 117.0° |
| O22 | C23 | H15 | 108.9° | 109.5° |
| O22 | C23 | H16 | 108.9° | 109.4° |
| O22 | C02 | N03 | 118.8° | 120.0° |
| O22 | C02 | O01 | 122.2° | 120.0° |
| N15 | C16 | C17 | 104.6° | 105.5° |
| C16 | N15 | C14 | 108.5° | 111.2° |
| C16 | N15 | H4 | 125.7° | 124.3° |
| N15 | C16 | H10 | 110.7° | 110.2° |
| N15 | C16 | H11 | 110.7° | 110.3° |
| C16 | C17 | C13 | 104.1° | 101.9° |
| C17 | C16 | H10 | 110.7° | 110.3° |
| C17 | C16 | H11 | 110.7° | 110.3° |
| C16 | C17 | H12 | 110.8° | 111.0° |
| C16 | C17 | H13 | 110.8° | 111.0° |
| N03 | C02 | O01 | 119.0° | 120.0° |
| C02 | N03 | C04 | 118.4° | 120.0° |
| C02 | N03 | H35 | 120.8° | 120.0° |
| N03 | C04 | C09 | 109.4° | 109.4° |
| N03 | C04 | C05 | 109.5° | 109.5° |
| N03 | C04 | H25 | 110.2° | 109.5° |
| C04 | N03 | H35 | 120.8° | 120.0° |
| N15 | C14 | C13 | 107.8° | 110.2° |
| N15 | C14 | O18 | 126.0° | 124.9° |
| C14 | N15 | H4 | 125.7° | 124.5° |
| O21 | C09 | C04 | 121.5° | 120.0° |
| O21 | C09 | N10 | 121.1° | 120.0° |
| C17 | C13 | C14 | 104.8° | 104.2° |
| C17 | C13 | C12 | 109.5° | 110.8° |
| C17 | C13 | H6 | 110.2° | 110.2° |
| C13 | C17 | H12 | 110.8° | 110.7° |
| C13 | C17 | H13 | 110.8° | 111.1° |
| C14 | C13 | C12 | 111.0° | 110.5° |
| C13 | C14 | O18 | 126.2° | 125.0° |
| C14 | C13 | H6 | 111.3° | 110.5° |
| C13 | C12 | C11 | 111.5° | 109.5° |
| C12 | C13 | H6 | 109.9° | 110.5° |
| C13 | C12 | H7 | 109.0° | 109.5° |
| C13 | C12 | H8 | 109.0° | 109.6° |
| C04 | C09 | N10 | 117.3° | 120.0° |
| C09 | C04 | C05 | 109.4° | 109.4° |
| C09 | C04 | H25 | 109.2° | 109.5° |
| C09 | N10 | C11 | 120.8° | 120.0° |
| C09 | N10 | H3 | 119.6° | 120.0° |
| C04 | C05 | C06 | 113.3° | 109.4° |
| C05 | C04 | H25 | 109.1° | 109.5° |
| C04 | C05 | H26 | 108.5° | 109.5° |
| C04 | C05 | H27 | 108.5° | 109.5° |
| C05 | C06 | C08 | 112.5° | 109.5° |
| C05 | C06 | C07 | 112.1° | 109.5° |
| C06 | C05 | H26 | 108.5° | 109.5° |
| C06 | C05 | H27 | 108.5° | 109.5° |
| C05 | C06 | H28 | 107.3° | 109.5° |
| C08 | C06 | C07 | 110.0° | 109.5° |
| C08 | C06 | H28 | 107.3° | 109.5° |
| C06 | C08 | H32 | 109.5° | 109.5° |
| C06 | C08 | H33 | 109.5° | 109.5° |
| C06 | C08 | H34 | 109.5° | 109.5° |
| C07 | C06 | H28 | 107.4° | 109.5° |
| C06 | C07 | H29 | 109.5° | 109.5° |
| C06 | C07 | H30 | 109.4° | 109.5° |
| C06 | C07 | H31 | 109.5° | 109.5° |
| N10 | C11 | C12 | 109.2° | 109.5° |
| N10 | C11 | C19 | 106.6° | 109.5° |
| C11 | N10 | H3 | 119.6° | 119.9° |
| N10 | C11 | H5 | 110.5° | 109.4° |
| C12 | C11 | C19 | 112.1° | 109.5° |
| C12 | C11 | H5 | 109.2° | 109.5° |
| C11 | C12 | H7 | 109.0° | 109.4° |
| C11 | C12 | H8 | 109.0° | 109.4° |
| C11 | C19 | O20 | 108.2° | 109.5° |
| C11 | C19 | S2 | 109.3° | 109.5° |
| C19 | C11 | H5 | 109.2° | 109.5° |
| C11 | C19 | H14 | 109.7° | 109.5° |
| O20 | C19 | S2 | 111.2° | 109.5° |
| O20 | C19 | H14 | 111.7° | 109.4° |
| C19 | O20 | H36 | 109.5° | 114.0° |
| S2 | C19 | H14 | 106.6° | 109.5° |
| C19 | S2 | O1 | 102.6° | 110.5° |
| C19 | S2 | O2 | 57.8° | 104.5° |
| C19 | S2 | O3 | 57.8° | 110.6° |
| H7 | C12 | H8 | 109.4° | 109.4° |
| H10 | C16 | H11 | 109.4° | 110.3° |
| H12 | C17 | H13 | 109.5° | 110.8° |
| H15 | C23 | H16 | 109.5° | 109.5° |
| H19 | C25 | H20 | 109.4° | 109.5° |
| H19 | C25 | H21 | 109.5° | 109.5° |
| H20 | C25 | H21 | 109.5° | 109.4° |
| H22 | C26 | H23 | 109.5° | 109.5° |
| H22 | C26 | H24 | 109.5° | 109.5° |
| H23 | C26 | H24 | 109.5° | 109.5° |
| H26 | C05 | H27 | 109.5° | 109.4° |
| H29 | C07 | H30 | 109.5° | 109.5° |
| H29 | C07 | H31 | 109.5° | 109.5° |
| H30 | C07 | H31 | 109.5° | 109.4° |
| H32 | C08 | H33 | 109.5° | 109.5° |
| H32 | C08 | H34 | 109.5° | 109.5° |
| H33 | C08 | H34 | 109.4° | 109.4° |
| O1 | S2 | O2 | 95.9° | 104.3° |
| O1 | S2 | O3 | 95.9° | 121.0° |
| O2 | S2 | O3 | 0.0° | 104.3° |
| S2 | O2 | H9 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C30 | C29 | H18 | 180.0° | 179.5° |
| C30 | C31 | C32 | H1 | 180.0° | 179.9° |
| C31 | C30 | C29 | C28 | 0.0° | 0.5° |
| C30 | C31 | C32 | CL33 | 179.9° | 179.7° |
| C30 | C31 | C32 | C34 | 0.2° | 0.2° |
| C31 | C30 | C29 | H17 | 180.0° | 179.7° |
| C29 | C30 | C31 | C32 | 0.0° | 0.4° |
| C30 | C29 | C28 | H17 | 180.0° | 179.8° |
| C30 | C29 | C28 | C34 | 0.1° | 0.3° |
| C30 | C29 | C28 | S27 | 180.0° | 179.8° |
| C29 | C30 | C31 | H1 | 180.0° | 179.7° |
| C31 | C32 | CL33 | C34 | 179.7° | 179.9° |
| C31 | C32 | C34 | C28 | 0.4° | 0.0° |
| C31 | C32 | C34 | H2 | 179.7° | 180.0° |
| C32 | C31 | C30 | H18 | 180.0° | 180.0° |
| C29 | C28 | C34 | C32 | 0.3° | 0.0° |
| C29 | C28 | C34 | S27 | 179.9° | 179.9° |
| C29 | C28 | S27 | C24 | 100.2° | 86.0° |
| C29 | C28 | C34 | H2 | 179.7° | 180.0° |
| C28 | C29 | C30 | H18 | 179.9° | 179.9° |
| CL33 | C32 | C34 | C28 | 179.9° | 180.0° |
| CL33 | C32 | C31 | H1 | 0.1° | 0.1° |
| CL33 | C32 | C34 | H2 | 0.1° | 0.1° |
| C32 | C34 | C28 | H2 | 180.0° | 180.0° |
| C32 | C34 | C28 | S27 | 179.8° | 179.9° |
| C34 | C32 | C31 | H1 | 179.8° | 180.0° |
| C34 | C28 | S27 | C24 | 79.9° | 94.1° |
| C34 | C28 | C29 | H17 | 179.9° | 179.9° |
| C28 | S27 | C24 | C26 | 55.9° | 54.7° |
| C28 | S27 | C24 | C23 | 66.0° | 174.8° |
| C28 | S27 | C24 | C25 | 174.5° | 65.2° |
| S27 | C28 | C34 | H2 | 0.2° | 0.0° |
| S27 | C28 | C29 | H17 | 0.0° | 0.0° |
| C26 | C24 | S27 | C23 | 121.9° | 120.0° |
| C26 | C24 | S27 | C25 | 118.6° | 119.9° |
| C26 | C24 | C23 | C25 | 119.9° | 120.0° |
| C26 | C24 | C23 | O22 | 32.1° | 60.0° |
| C26 | C24 | C23 | H15 | 88.3° | 180.0° |
| C26 | C24 | C23 | H16 | 152.5° | 60.0° |
| C26 | C24 | C25 | H19 | 180.0° | 55.7° |
| C26 | C24 | C25 | H20 | 60.0° | 64.3° |
| C26 | C24 | C25 | H21 | 60.0° | 175.7° |
| C24 | C26 | H22 | H23 | 120.0° | 120.0° |
| C24 | C26 | H22 | H24 | 120.0° | 120.0° |
| C24 | C26 | H23 | H24 | 120.0° | 120.0° |
| S27 | C24 | C23 | C25 | 119.6° | 120.0° |
| S27 | C24 | C23 | O22 | 152.6° | 180.0° |
| S27 | C24 | C23 | H15 | 32.3° | 60.0° |
| S27 | C24 | C23 | H16 | 87.0° | 60.0° |
| S27 | C24 | C25 | H19 | 60.9° | 175.6° |
| S27 | C24 | C25 | H20 | 59.1° | 55.6° |
| S27 | C24 | C25 | H21 | 179.1° | 64.3° |
| S27 | C24 | C26 | H22 | 180.0° | 54.9° |
| S27 | C24 | C26 | H23 | 60.0° | 65.1° |
| S27 | C24 | C26 | H24 | 60.0° | 174.9° |
| C24 | C23 | O22 | H15 | 120.4° | 120.0° |
| C24 | C23 | O22 | H16 | 120.3° | 120.0° |
| C24 | C23 | O22 | C02 | 137.0° | 180.0° |
| C24 | C23 | H15 | H16 | 118.9° | 120.0° |
| C23 | C24 | C25 | H19 | 58.3° | 64.3° |
| C23 | C24 | C25 | H20 | 178.3° | 175.7° |
| C23 | C24 | C25 | H21 | 61.7° | 55.7° |
| C23 | C24 | C26 | H22 | 59.7° | 65.2° |
| C23 | C24 | C26 | H23 | 179.7° | 174.9° |
| C23 | C24 | C26 | H24 | 60.3° | 54.8° |
| C25 | C24 | C23 | O22 | 87.8° | 60.0° |
| C25 | C24 | C23 | H15 | 151.9° | 60.0° |
| C25 | C24 | C23 | H16 | 32.6° | 180.0° |
| C24 | C25 | H19 | H20 | 120.0° | 120.0° |
| C24 | C25 | H19 | H21 | 120.0° | 120.0° |
| C24 | C25 | H20 | H21 | 120.0° | 120.0° |
| C25 | C24 | C26 | H22 | 60.7° | 174.9° |
| C25 | C24 | C26 | H23 | 59.3° | 54.9° |
| C25 | C24 | C26 | H24 | 179.3° | 65.1° |
| C23 | O22 | C02 | N03 | 144.4° | 180.0° |
| C23 | O22 | C02 | O01 | 35.3° | 0.0° |
| O22 | C23 | H15 | H16 | 118.9° | 120.0° |
| O22 | C02 | N03 | O01 | 179.7° | 180.0° |
| O22 | C02 | N03 | C04 | 162.5° | 180.0° |
| C02 | O22 | C23 | H15 | 102.6° | 60.0° |
| C02 | O22 | C23 | H16 | 16.7° | 60.0° |
| O22 | C02 | N03 | H35 | 17.4° | 0.1° |
| N15 | C16 | C17 | H10 | 119.2° | 118.9° |
| N15 | C16 | C17 | H11 | 119.2° | 119.0° |
| C16 | N15 | C14 | H4 | 180.0° | 179.8° |
| N15 | C16 | C17 | C13 | 30.6° | 25.2° |
| C16 | N15 | C14 | C13 | 0.2° | 0.6° |
| C16 | N15 | C14 | O18 | 178.7° | 179.4° |
| N15 | C16 | H10 | H11 | 122.2° | 122.0° |
| N15 | C16 | C17 | H12 | 149.7° | 92.8° |
| N15 | C16 | C17 | H13 | 88.5° | 143.5° |
| C17 | C16 | N15 | C14 | 19.3° | 17.0° |
| C16 | C17 | C13 | H12 | 119.2° | 118.1° |
| C16 | C17 | C13 | H13 | 119.1° | 118.3° |
| C16 | C17 | C13 | C14 | 30.5° | 24.5° |
| C16 | C17 | C13 | C12 | 149.6° | 143.3° |
| C17 | C16 | N15 | H4 | 160.8° | 163.2° |
| C16 | C17 | C13 | H6 | 89.4° | 94.1° |
| C17 | C16 | H10 | H11 | 122.3° | 122.0° |
| C16 | C17 | H12 | H13 | 122.5° | 123.8° |
| C02 | N03 | C04 | H35 | 180.0° | 179.9° |
| C02 | N03 | C04 | C09 | 84.1° | 155.1° |
| C02 | N03 | C04 | C05 | 156.0° | 85.0° |
| C02 | N03 | C04 | H25 | 36.0° | 35.0° |
| O01 | C02 | N03 | C04 | 17.1° | 0.0° |
| O01 | C02 | N03 | H35 | 162.9° | 180.0° |
| N03 | C04 | C09 | O21 | 30.1° | 0.1° |
| N03 | C04 | C09 | C05 | 119.9° | 120.0° |
| N03 | C04 | C09 | H25 | 120.7° | 120.0° |
| N03 | C04 | C09 | N10 | 150.3° | 180.0° |
| N03 | C04 | C05 | H25 | 120.7° | 120.1° |
| N03 | C04 | C05 | C06 | 54.3° | 65.0° |
| N03 | C04 | C05 | H26 | 66.3° | 55.0° |
| N03 | C04 | C05 | H27 | 174.9° | 175.0° |
| N15 | C14 | C13 | C17 | 19.2° | 15.9° |
| N15 | C14 | C13 | O18 | 178.6° | 180.0° |
| N15 | C14 | C13 | C12 | 137.3° | 134.9° |
| N15 | C14 | C13 | H6 | 100.0° | 102.5° |
| C14 | N15 | C16 | H10 | 100.0° | 102.0° |
| C14 | N15 | C16 | H11 | 138.5° | 136.0° |
| O21 | C09 | C04 | N10 | 179.6° | 179.9° |
| O21 | C09 | C04 | C05 | 89.8° | 120.0° |
| O21 | C09 | N10 | C11 | 0.7° | 0.0° |
| O21 | C09 | N10 | H3 | 179.3° | 179.9° |
| O21 | C09 | C04 | H25 | 150.8° | 120.0° |
| C17 | C13 | C14 | C12 | 118.1° | 119.0° |
| C17 | C13 | C14 | H6 | 119.2° | 118.4° |
| C17 | C13 | C12 | H6 | 121.2° | 122.5° |
| C17 | C13 | C14 | O18 | 159.4° | 164.1° |
| C17 | C13 | C12 | C11 | 70.6° | 70.5° |
| C17 | C13 | C12 | H7 | 49.7° | 169.6° |
| C17 | C13 | C12 | H8 | 169.1° | 49.6° |
| C13 | C17 | C16 | H10 | 88.6° | 93.8° |
| C13 | C17 | C16 | H11 | 149.8° | 144.2° |
| C13 | C17 | H12 | H13 | 122.5° | 123.7° |
| C14 | C13 | C12 | H6 | 123.5° | 122.6° |
| C14 | C13 | C12 | C11 | 174.1° | 174.6° |
| C13 | C14 | N15 | H4 | 179.8° | 179.6° |
| C14 | C13 | C12 | H7 | 65.6° | 54.6° |
| C14 | C13 | C12 | H8 | 53.8° | 65.4° |
| C14 | C13 | C17 | H12 | 149.6° | 93.7° |
| C14 | C13 | C17 | H13 | 88.7° | 142.7° |
| C12 | C13 | C14 | O18 | 41.3° | 45.1° |
| C13 | C12 | C11 | N10 | 81.1° | 61.9° |
| C13 | C12 | C11 | H7 | 120.3° | 120.0° |
| C13 | C12 | C11 | H8 | 120.3° | 120.1° |
| C13 | C12 | C11 | C19 | 161.0° | 178.0° |
| C13 | C12 | C11 | H5 | 39.9° | 58.0° |
| C13 | C12 | H7 | H8 | 119.1° | 120.1° |
| C12 | C13 | C17 | H12 | 91.3° | 25.1° |
| C12 | C13 | C17 | H13 | 30.4° | 98.5° |
| C09 | C04 | C05 | H25 | 119.5° | 120.0° |
| C09 | C04 | C05 | C06 | 174.1° | 175.0° |
| C04 | C09 | N10 | C11 | 178.9° | 180.0° |
| C04 | C09 | N10 | H3 | 1.1° | 0.0° |
| C09 | C04 | C05 | H26 | 53.5° | 65.0° |
| C09 | C04 | C05 | H27 | 65.3° | 55.0° |
| C09 | C04 | N03 | H35 | 95.9° | 25.0° |
| N10 | C09 | C04 | C05 | 89.8° | 60.0° |
| C09 | N10 | C11 | H3 | 180.0° | 180.0° |
| C09 | N10 | C11 | C12 | 115.0° | 148.5° |
| C09 | N10 | C11 | C19 | 123.7° | 91.4° |
| C09 | N10 | C11 | H5 | 5.1° | 28.5° |
| N10 | C09 | C04 | H25 | 29.6° | 60.0° |
| O18 | C14 | N15 | H4 | 1.3° | 0.4° |
| O18 | C14 | C13 | H6 | 81.4° | 77.5° |
| C04 | C05 | C06 | H26 | 120.6° | 120.0° |
| C04 | C05 | C06 | H27 | 120.6° | 120.0° |
| C04 | C05 | C06 | C08 | 37.9° | 65.0° |
| C04 | C05 | C06 | C07 | 162.4° | 175.0° |
| C04 | C05 | H26 | H27 | 118.2° | 120.0° |
| C04 | C05 | C06 | H28 | 79.9° | 55.0° |
| C05 | C04 | N03 | H35 | 24.0° | 94.9° |
| C05 | C06 | C08 | C07 | 125.7° | 120.0° |
| C05 | C06 | C08 | H28 | 117.8° | 120.0° |
| C05 | C06 | C07 | H28 | 117.6° | 120.0° |
| C06 | C05 | C04 | H25 | 66.4° | 55.0° |
| C06 | C05 | H26 | H27 | 118.3° | 120.0° |
| C05 | C06 | C07 | H29 | 180.0° | 60.0° |
| C05 | C06 | C07 | H30 | 60.0° | 180.0° |
| C05 | C06 | C07 | H31 | 60.0° | 60.0° |
| C05 | C06 | C08 | H32 | 180.0° | 60.0° |
| C05 | C06 | C08 | H33 | 60.0° | 60.1° |
| C05 | C06 | C08 | H34 | 60.0° | 180.0° |
| C08 | C06 | C07 | H28 | 116.4° | 120.0° |
| C08 | C06 | C05 | H26 | 158.5° | 175.0° |
| C08 | C06 | C05 | H27 | 82.7° | 55.0° |
| C08 | C06 | C07 | H29 | 54.1° | 60.0° |
| C08 | C06 | C07 | H30 | 174.1° | 60.0° |
| C08 | C06 | C07 | H31 | 65.9° | 180.0° |
| C06 | C08 | H32 | H33 | 120.0° | 120.0° |
| C06 | C08 | H32 | H34 | 120.0° | 120.0° |
| C06 | C08 | H33 | H34 | 120.0° | 120.0° |
| C07 | C06 | C05 | H26 | 77.0° | 55.0° |
| C07 | C06 | C05 | H27 | 41.9° | 65.0° |
| C06 | C07 | H29 | H30 | 120.0° | 120.0° |
| C06 | C07 | H29 | H31 | 120.0° | 120.0° |
| C06 | C07 | H30 | H31 | 120.0° | 120.0° |
| C07 | C06 | C08 | H32 | 54.3° | 60.0° |
| C07 | C06 | C08 | H33 | 65.7° | 180.0° |
| C07 | C06 | C08 | H34 | 174.3° | 60.0° |
| N10 | C11 | C12 | C19 | 117.9° | 120.0° |
| N10 | C11 | C12 | H5 | 121.0° | 119.9° |
| N10 | C11 | C19 | H5 | 119.4° | 119.9° |
| N10 | C11 | C19 | O20 | 176.1° | 54.1° |
| N10 | C11 | C19 | S2 | 54.9° | 174.2° |
| N10 | C11 | C12 | H7 | 158.6° | 58.1° |
| N10 | C11 | C12 | H8 | 39.2° | 178.0° |
| N10 | C11 | C19 | H14 | 61.7° | 65.8° |
| C12 | C11 | C19 | H5 | 121.2° | 120.0° |
| C12 | C11 | C19 | O20 | 56.7° | 174.2° |
| C12 | C11 | C19 | S2 | 64.5° | 65.8° |
| C12 | C11 | N10 | H3 | 65.0° | 31.5° |
| C11 | C12 | C13 | H6 | 50.6° | 52.0° |
| C11 | C12 | H7 | H8 | 119.1° | 119.9° |
| C12 | C11 | C19 | H14 | 178.9° | 54.2° |
| C11 | C19 | O20 | S2 | 120.1° | 120.0° |
| C11 | C19 | O20 | H14 | 120.9° | 120.0° |
| C11 | C19 | S2 | H14 | 118.6° | 120.0° |
| C19 | C11 | N10 | H3 | 56.3° | 88.6° |
| C19 | C11 | C12 | H7 | 40.7° | 62.0° |
| C19 | C11 | C12 | H8 | 78.6° | 57.9° |
| C11 | C19 | O20 | H36 | 180.0° | 60.0° |
| C11 | C19 | S2 | O1 | 170.1° | 44.4° |
| C11 | C19 | S2 | O2 | 81.1° | 67.3° |
| C11 | C19 | S2 | O3 | 81.1° | 178.9° |
| O20 | C19 | S2 | H14 | 122.0° | 119.9° |
| O20 | C19 | C11 | H5 | 64.5° | 65.8° |
| O20 | C19 | S2 | O1 | 50.7° | 75.7° |
| O20 | C19 | S2 | O2 | 38.3° | 172.7° |
| O20 | C19 | S2 | O3 | 38.3° | 61.1° |
| S2 | C19 | C11 | H5 | 174.3° | 54.2° |
| S2 | C19 | O20 | H36 | 59.9° | 180.0° |
| C19 | S2 | O1 | O2 | 58.2° | 111.8° |
| C19 | S2 | O1 | O3 | 58.2° | 131.5° |
| C19 | S2 | O2 | O3 | 90.0° | 116.1° |
| C19 | S2 | O2 | H9 | 90.0° | 180.0° |
| H1 | C31 | C30 | H18 | 0.0° | 0.1° |
| H3 | N10 | C11 | H5 | 174.9° | 151.4° |
| H4 | N15 | C16 | H10 | 80.0° | 77.8° |
| H4 | N15 | C16 | H11 | 41.5° | 44.2° |
| H5 | C11 | C12 | H7 | 80.4° | 178.0° |
| H5 | C11 | C12 | H8 | 160.2° | 62.1° |
| H5 | C11 | C19 | H14 | 57.7° | 174.2° |
| H6 | C13 | C12 | H7 | 170.9° | 68.0° |
| H6 | C13 | C12 | H8 | 69.7° | 172.0° |
| H6 | C13 | C17 | H12 | 29.8° | 147.7° |
| H6 | C13 | C17 | H13 | 151.5° | 24.1° |
| H10 | C16 | C17 | H12 | 30.5° | 148.3° |
| H10 | C16 | C17 | H13 | 152.2° | 24.6° |
| H11 | C16 | C17 | H12 | 91.0° | 26.3° |
| H11 | C16 | C17 | H13 | 30.7° | 97.5° |
| H14 | C19 | O20 | H36 | 59.1° | 60.0° |
| H14 | C19 | S2 | O1 | 71.3° | 164.4° |
| H14 | C19 | S2 | O2 | 160.3° | 52.8° |
| H14 | C19 | S2 | O3 | 160.3° | 58.9° |
| H17 | C29 | C30 | H18 | 0.1° | 0.2° |
| H19 | C25 | H20 | H21 | 120.0° | 120.0° |
| H22 | C26 | H23 | H24 | 120.0° | 120.0° |
| H25 | C04 | C05 | H26 | 173.0° | 175.0° |
| H25 | C04 | C05 | H27 | 54.2° | 65.0° |
| H25 | C04 | N03 | H35 | 144.0° | 145.0° |
| H26 | C05 | C06 | H28 | 40.7° | 65.0° |
| H27 | C05 | C06 | H28 | 159.5° | 175.0° |
| H28 | C06 | C07 | H29 | 62.4° | NaN° |
| H28 | C06 | C07 | H30 | 57.6° | 60.0° |
| H28 | C06 | C07 | H31 | 177.6° | 60.0° |
| H28 | C06 | C08 | H32 | 62.2° | 180.0° |
| H28 | C06 | C08 | H33 | 177.8° | 60.0° |
| H28 | C06 | C08 | H34 | 57.8° | 60.0° |
| H29 | C07 | H30 | H31 | 120.0° | 120.0° |
| H32 | C08 | H33 | H34 | 120.0° | 120.0° |
| O1 | S2 | O2 | O3 | 90.0° | 127.8° |
| O1 | S2 | O2 | H9 | 90.0° | 63.9° |
| O3 | S2 | O2 | H9 | 90.0° | 63.9° |
