VL5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N28 | C27 | sing | 1.38Å | 1.44Å | |
| C27 | S29 | sing | 1.76Å | 1.72Å | Aromatic |
| C27 | N26 | doub | 1.30Å | 1.34Å | Aromatic |
| S29 | C30 | sing | 1.76Å | 1.74Å | Aromatic |
| N26 | C25 | sing | 1.33Å | 1.38Å | Aromatic |
| C30 | C25 | doub | 1.35Å | 1.41Å | Aromatic |
| C25 | C24 | sing | 1.48Å | 1.49Å | |
| O21 | C19 | doub | 1.21Å | 1.25Å | |
| C24 | N23 | doub | 1.30Å | 1.26Å | |
| C24 | C31 | sing | 1.48Å | 1.46Å | |
| N23 | O22 | sing | 1.42Å | 1.27Å | |
| O20 | C19 | sing | 1.34Å | 1.25Å | |
| C19 | C18 | sing | 1.51Å | 1.50Å | |
| O32 | C31 | doub | 1.22Å | 1.23Å | |
| C31 | N33 | sing | 1.35Å | 1.33Å | |
| O22 | C18 | sing | 1.43Å | 1.43Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| N33 | C34 | sing | 1.46Å | 1.45Å | |
| C34 | C39 | sing | 1.51Å | 1.50Å | |
| C34 | C35 | sing | 1.53Å | 1.54Å | |
| O40 | C39 | doub | 1.21Å | 1.23Å | |
| C17 | O16 | sing | 1.43Å | 1.43Å | |
| C37 | C35 | sing | 1.53Å | 1.53Å | |
| O16 | C13 | sing | 1.36Å | 1.37Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C35 | N38 | sing | 1.47Å | 1.49Å | |
| N38 | O41 | sing | 1.46Å | 1.36Å | |
| C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| O41 | S42 | sing | 1.52Å | 1.54Å | |
| C12 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.40Å | 1.39Å | Aromatic |
| S42 | O44 | doub | 1.42Å | 1.47Å | |
| S42 | O45 | doub | 1.42Å | 1.47Å | |
| S42 | O43 | sing | 1.52Å | 1.48Å | |
| C15 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C8 | sing | 1.48Å | 1.50Å | |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C6 | N1 | sing | 1.47Å | 1.47Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C8 | N7 | sing | 1.38Å | 1.34Å | |
| C8 | N9 | doub | 1.30Å | 1.27Å | |
| N7 | C3 | sing | 1.46Å | 1.46Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C30 | H11 | sing | 1.08Å | 1.08Å | |
| C34 | H12 | sing | 1.09Å | 1.10Å | |
| C36 | H13 | sing | 1.09Å | 1.10Å | |
| C36 | H14 | sing | 1.09Å | 1.10Å | |
| C36 | H15 | sing | 1.09Å | 1.10Å | |
| C37 | H16 | sing | 1.09Å | 1.10Å | |
| C37 | H17 | sing | 1.09Å | 1.10Å | |
| C37 | H18 | sing | 1.09Å | 1.10Å | |
| C39 | H19 | sing | 1.08Å | 1.08Å | |
| C4 | H20 | sing | 1.09Å | 1.10Å | |
| C4 | H21 | sing | 1.09Å | 1.10Å | |
| C5 | H22 | sing | 1.09Å | 1.10Å | |
| C5 | H23 | sing | 1.09Å | 1.10Å | |
| C6 | H24 | sing | 1.09Å | 1.10Å | |
| C6 | H25 | sing | 1.09Å | 1.10Å | |
| N1 | H26 | sing | 1.01Å | 1.00Å | |
| N28 | H27 | sing | 0.97Å | 1.00Å | |
| N28 | H28 | sing | 0.97Å | 1.00Å | |
| N33 | H29 | sing | 0.97Å | 1.00Å | |
| N38 | H30 | sing | 1.01Å | 1.00Å | |
| N7 | H31 | sing | 0.97Å | 1.00Å | |
| N9 | H32 | sing | 0.97Å | 1.00Å | |
| O20 | H33 | sing | 0.97Å | 0.95Å | |
| O43 | H34 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N28 | C27 | S29 | 124.2° | 125.2° |
| N28 | C27 | N26 | 122.3° | 125.3° |
| C27 | N28 | H27 | 109.5° | 120.0° |
| C27 | N28 | H28 | 109.5° | 120.0° |
| S29 | C27 | N26 | 113.5° | 109.5° |
| C27 | S29 | C30 | 91.4° | 90.1° |
| C27 | N26 | C25 | 111.8° | 116.9° |
| S29 | C30 | C25 | 107.8° | 108.3° |
| S29 | C30 | H11 | 126.1° | 125.9° |
| N26 | C25 | C30 | 115.4° | 115.2° |
| N26 | C25 | C24 | 120.9° | 122.4° |
| C30 | C25 | C24 | 123.7° | 122.4° |
| C25 | C30 | H11 | 126.1° | 125.8° |
| C25 | C24 | N23 | 120.6° | 120.0° |
| C25 | C24 | C31 | 122.3° | 120.0° |
| O21 | C19 | O20 | 123.3° | 120.0° |
| O21 | C19 | C18 | 118.3° | 120.0° |
| N23 | C24 | C31 | 117.0° | 120.0° |
| C24 | N23 | O22 | 119.8° | 120.0° |
| C24 | C31 | O32 | 121.2° | 120.0° |
| C24 | C31 | N33 | 116.4° | 120.0° |
| N23 | O22 | C18 | 118.7° | 114.0° |
| O20 | C19 | C18 | 118.4° | 120.0° |
| C19 | O20 | H33 | 109.5° | 117.0° |
| C19 | C18 | O22 | 108.1° | 109.5° |
| C19 | C18 | C17 | 109.1° | 109.5° |
| C19 | C18 | H7 | 109.5° | 109.4° |
| O32 | C31 | N33 | 122.4° | 120.0° |
| C31 | N33 | C34 | 122.3° | 120.0° |
| C31 | N33 | H29 | 118.9° | 120.0° |
| O22 | C18 | C17 | 110.5° | 109.5° |
| O22 | C18 | H7 | 110.5° | 109.5° |
| C18 | C17 | O16 | 108.2° | 109.4° |
| C18 | C17 | H5 | 109.8° | 109.4° |
| C18 | C17 | H6 | 109.8° | 109.4° |
| C17 | C18 | H7 | 109.2° | 109.5° |
| N33 | C34 | C39 | 107.4° | 109.5° |
| N33 | C34 | C35 | 115.2° | 109.5° |
| N33 | C34 | H12 | 108.1° | 109.5° |
| C34 | N33 | H29 | 118.8° | 120.0° |
| C39 | C34 | C35 | 111.3° | 109.4° |
| C34 | C39 | O40 | 121.2° | 120.0° |
| C39 | C34 | H12 | 107.6° | 109.4° |
| C34 | C39 | H19 | 119.4° | 120.0° |
| C34 | C35 | C37 | 107.7° | 109.5° |
| C34 | C35 | C36 | 110.2° | 109.4° |
| C34 | C35 | N38 | 114.6° | 109.5° |
| C35 | C34 | H12 | 107.0° | 109.5° |
| O40 | C39 | H19 | 119.4° | 120.0° |
| C17 | O16 | C13 | 119.8° | 117.0° |
| O16 | C17 | H5 | 109.8° | 109.5° |
| O16 | C17 | H6 | 109.8° | 109.5° |
| C37 | C35 | C36 | 111.0° | 109.5° |
| C37 | C35 | N38 | 104.7° | 109.5° |
| C35 | C37 | H16 | 109.5° | 109.4° |
| C35 | C37 | H17 | 109.5° | 109.5° |
| C35 | C37 | H18 | 109.5° | 109.5° |
| O16 | C13 | C12 | 119.5° | 120.0° |
| O16 | C13 | C14 | 120.1° | 119.9° |
| C36 | C35 | N38 | 108.6° | 109.5° |
| C35 | C36 | H13 | 109.5° | 109.5° |
| C35 | C36 | H14 | 109.4° | 109.5° |
| C35 | C36 | H15 | 109.5° | 109.5° |
| C35 | N38 | O41 | 114.3° | 111.0° |
| C35 | N38 | H30 | 108.2° | 111.0° |
| N38 | O41 | S42 | 123.0° | 114.0° |
| O41 | N38 | H30 | 108.2° | 111.0° |
| C12 | C13 | C14 | 120.3° | 120.1° |
| C13 | C12 | C11 | 119.4° | 120.1° |
| C13 | C12 | H2 | 120.3° | 119.9° |
| C13 | C14 | C15 | 120.2° | 120.1° |
| C13 | C14 | H3 | 119.9° | 119.9° |
| O41 | S42 | O44 | 109.2° | 106.4° |
| O41 | S42 | O45 | 108.7° | 106.4° |
| O41 | S42 | O43 | 109.2° | 107.2° |
| C12 | C11 | C10 | 120.4° | 119.9° |
| C12 | C11 | H1 | 119.8° | 120.0° |
| C11 | C12 | H2 | 120.3° | 120.0° |
| C14 | C15 | C10 | 119.7° | 120.0° |
| C15 | C14 | H3 | 119.9° | 120.0° |
| C14 | C15 | H4 | 120.1° | 120.0° |
| C11 | C10 | C15 | 119.9° | 119.8° |
| C11 | C10 | C8 | 120.5° | 120.0° |
| C10 | C11 | H1 | 119.8° | 120.1° |
| O44 | S42 | O45 | 107.0° | 123.1° |
| O44 | S42 | O43 | 111.7° | 106.4° |
| O45 | S42 | O43 | 111.0° | 106.4° |
| S42 | O43 | H34 | 109.5° | 114.0° |
| C15 | C10 | C8 | 119.5° | 120.1° |
| C10 | C15 | H4 | 120.2° | 120.0° |
| C10 | C8 | N7 | 120.6° | 120.0° |
| C10 | C8 | N9 | 118.9° | 120.0° |
| N1 | C2 | C3 | 111.8° | 109.6° |
| C2 | N1 | C6 | 110.4° | 111.2° |
| N1 | C2 | H8 | 108.9° | 109.5° |
| N1 | C2 | H9 | 108.9° | 109.5° |
| C2 | N1 | H26 | 109.3° | 111.0° |
| C2 | C3 | N7 | 110.3° | 109.5° |
| C2 | C3 | C4 | 110.6° | 109.3° |
| C3 | C2 | H8 | 108.9° | 109.4° |
| C3 | C2 | H9 | 108.9° | 109.4° |
| C2 | C3 | H10 | 107.9° | 109.5° |
| N1 | C6 | C5 | 109.8° | 109.5° |
| N1 | C6 | H24 | 109.4° | 109.5° |
| N1 | C6 | H25 | 109.4° | 109.5° |
| C6 | N1 | H26 | 109.2° | 111.0° |
| C6 | C5 | C4 | 109.7° | 109.3° |
| C6 | C5 | H22 | 109.4° | 109.6° |
| C6 | C5 | H23 | 109.4° | 109.5° |
| C5 | C6 | H24 | 109.4° | 109.4° |
| C5 | C6 | H25 | 109.4° | 109.4° |
| N7 | C8 | N9 | 120.4° | 120.0° |
| C8 | N7 | C3 | 123.3° | 120.0° |
| C8 | N7 | H31 | 118.3° | 120.0° |
| C8 | N9 | H32 | 112.0° | 120.0° |
| N7 | C3 | C4 | 111.0° | 109.5° |
| N7 | C3 | H10 | 108.9° | 109.6° |
| C3 | N7 | H31 | 118.4° | 120.0° |
| C3 | C4 | C5 | 110.6° | 109.1° |
| C4 | C3 | H10 | 108.0° | 109.5° |
| C3 | C4 | H20 | 109.2° | 109.5° |
| C3 | C4 | H21 | 109.2° | 109.5° |
| C5 | C4 | H20 | 109.2° | 109.5° |
| C5 | C4 | H21 | 109.2° | 109.5° |
| C4 | C5 | H22 | 109.4° | 109.5° |
| C4 | C5 | H23 | 109.4° | 109.5° |
| H5 | C17 | H6 | 109.4° | 109.5° |
| H8 | C2 | H9 | 109.5° | 109.4° |
| H13 | C36 | H14 | 109.5° | 109.4° |
| H13 | C36 | H15 | 109.5° | 109.5° |
| H14 | C36 | H15 | 109.5° | 109.4° |
| H16 | C37 | H17 | 109.5° | 109.5° |
| H16 | C37 | H18 | 109.5° | 109.5° |
| H17 | C37 | H18 | 109.5° | 109.5° |
| H20 | C4 | H21 | 109.5° | 109.6° |
| H22 | C5 | H23 | 109.5° | 109.5° |
| H24 | C6 | H25 | 109.5° | 109.5° |
| H27 | N28 | H28 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N28 | C27 | S29 | N26 | 179.5° | 179.9° |
| N28 | C27 | S29 | C30 | 179.7° | 180.0° |
| N28 | C27 | N26 | C25 | 180.0° | 179.9° |
| C27 | N28 | H27 | H28 | 120.0° | 180.0° |
| S29 | C27 | N26 | C25 | 0.5° | 0.1° |
| C27 | S29 | C30 | C25 | 0.1° | 0.1° |
| C27 | S29 | C30 | H11 | 179.9° | 179.8° |
| S29 | C27 | N28 | H27 | 0.0° | 0.0° |
| S29 | C27 | N28 | H28 | 120.0° | 180.0° |
| N26 | C27 | S29 | C30 | 0.2° | 0.0° |
| C27 | N26 | C25 | C30 | 0.6° | 0.2° |
| C27 | N26 | C25 | C24 | 179.7° | 180.0° |
| N26 | C27 | N28 | H27 | 179.4° | 180.0° |
| N26 | C27 | N28 | H28 | 59.4° | 0.0° |
| S29 | C30 | C25 | N26 | 0.4° | 0.2° |
| S29 | C30 | C25 | H11 | 180.0° | 180.0° |
| S29 | C30 | C25 | C24 | 179.5° | 180.0° |
| N26 | C25 | C30 | C24 | 179.1° | 179.8° |
| N26 | C25 | C24 | N23 | 1.7° | 174.6° |
| N26 | C25 | C24 | C31 | 178.5° | 5.5° |
| N26 | C25 | C30 | H11 | 179.6° | 179.7° |
| C30 | C25 | C24 | N23 | 177.3° | 5.7° |
| C30 | C25 | C24 | C31 | 0.5° | 174.3° |
| C25 | C24 | N23 | C31 | 176.9° | 180.0° |
| C25 | C24 | N23 | O22 | 178.8° | 174.9° |
| C25 | C24 | C31 | O32 | 98.8° | 174.1° |
| C25 | C24 | C31 | N33 | 83.2° | 5.9° |
| C24 | C25 | C30 | H11 | 0.5° | 0.0° |
| O21 | C19 | O20 | C18 | 179.9° | 180.0° |
| O21 | C19 | C18 | O22 | 24.1° | 5.0° |
| O21 | C19 | C18 | C17 | 96.1° | 115.0° |
| O21 | C19 | C18 | H7 | 144.5° | 125.0° |
| O21 | C19 | O20 | H33 | 0.0° | 0.0° |
| N23 | C24 | C31 | O32 | 84.3° | 6.0° |
| N23 | C24 | C31 | N33 | 93.6° | 174.1° |
| C24 | N23 | O22 | C18 | 175.5° | 180.0° |
| C31 | C24 | N23 | O22 | 1.9° | 5.1° |
| C24 | C31 | O32 | N33 | 177.8° | 180.0° |
| C24 | C31 | N33 | C34 | 165.7° | 175.1° |
| C24 | C31 | N33 | H29 | 14.3° | 4.9° |
| N23 | O22 | C18 | C19 | 68.6° | 85.0° |
| N23 | O22 | C18 | C17 | 172.0° | 155.0° |
| N23 | O22 | C18 | H7 | 51.1° | 35.0° |
| O20 | C19 | C18 | O22 | 156.0° | 175.0° |
| O20 | C19 | C18 | C17 | 83.8° | 64.9° |
| O20 | C19 | C18 | H7 | 35.6° | 55.0° |
| C19 | C18 | O22 | C17 | 119.4° | 120.0° |
| C19 | C18 | O22 | H7 | 119.7° | 119.9° |
| C19 | C18 | C17 | H7 | 119.6° | 119.9° |
| C19 | C18 | C17 | O16 | 172.4° | 55.1° |
| C19 | C18 | C17 | H5 | 67.8° | 65.0° |
| C19 | C18 | C17 | H6 | 52.6° | 175.0° |
| C18 | C19 | O20 | H33 | 179.9° | 180.0° |
| O32 | C31 | N33 | C34 | 16.4° | 4.9° |
| O32 | C31 | N33 | H29 | 163.6° | 175.1° |
| C31 | N33 | C34 | H29 | 180.0° | 180.0° |
| C31 | N33 | C34 | C39 | 139.1° | 85.0° |
| C31 | N33 | C34 | C35 | 96.3° | 155.0° |
| C31 | N33 | C34 | H12 | 23.3° | 35.0° |
| O22 | C18 | C17 | H7 | 121.7° | 120.0° |
| O22 | C18 | C17 | O16 | 68.9° | 65.0° |
| O22 | C18 | C17 | H5 | 50.9° | 175.0° |
| O22 | C18 | C17 | H6 | 171.3° | 55.0° |
| C18 | C17 | O16 | H5 | 119.8° | 120.0° |
| C18 | C17 | O16 | H6 | 119.8° | 119.9° |
| C18 | C17 | O16 | C13 | 174.9° | 180.0° |
| C18 | C17 | H5 | H6 | 120.6° | 119.9° |
| N33 | C34 | C39 | C35 | 126.9° | 120.0° |
| N33 | C34 | C39 | H12 | 116.2° | 120.0° |
| N33 | C34 | C35 | H12 | 120.2° | 120.1° |
| N33 | C34 | C39 | O40 | 18.3° | 0.0° |
| N33 | C34 | C35 | C37 | 113.0° | 60.0° |
| N33 | C34 | C35 | C36 | 8.2° | 60.0° |
| N33 | C34 | C35 | N38 | 131.0° | 180.0° |
| N33 | C34 | C39 | H19 | 161.7° | 180.0° |
| C39 | C34 | C35 | H12 | 117.2° | 120.0° |
| C34 | C39 | O40 | H19 | 180.0° | 180.0° |
| C39 | C34 | C35 | C37 | 124.4° | 60.0° |
| C39 | C34 | C35 | C36 | 114.4° | 180.0° |
| C39 | C34 | C35 | N38 | 8.4° | 60.0° |
| C39 | C34 | N33 | H29 | 40.9° | 95.0° |
| C35 | C34 | C39 | O40 | 108.6° | 120.0° |
| C34 | C35 | C37 | C36 | 120.6° | 120.0° |
| C34 | C35 | C37 | N38 | 122.4° | 120.0° |
| C34 | C35 | C36 | N38 | 126.3° | 120.0° |
| C34 | C35 | N38 | O41 | 69.1° | 180.0° |
| C34 | C35 | C36 | H13 | 180.0° | 60.0° |
| C34 | C35 | C36 | H14 | 60.0° | 180.0° |
| C34 | C35 | C36 | H15 | 60.0° | 60.0° |
| C34 | C35 | C37 | H16 | 180.0° | 60.1° |
| C34 | C35 | C37 | H17 | 60.0° | 180.0° |
| C34 | C35 | C37 | H18 | 60.0° | 60.0° |
| C35 | C34 | C39 | H19 | 71.4° | 60.0° |
| C35 | C34 | N33 | H29 | 83.7° | 25.0° |
| C34 | C35 | N38 | H30 | 51.6° | 56.0° |
| O40 | C39 | C34 | H12 | 134.5° | 120.0° |
| C17 | O16 | C13 | C12 | 9.0° | 180.0° |
| C17 | O16 | C13 | C14 | 171.5° | 0.0° |
| O16 | C17 | H5 | H6 | 120.6° | 120.1° |
| O16 | C17 | C18 | H7 | 52.8° | 175.0° |
| C37 | C35 | C36 | N38 | 114.5° | 120.0° |
| C37 | C35 | N38 | O41 | 173.2° | 60.0° |
| C37 | C35 | C34 | H12 | 7.2° | 180.0° |
| C37 | C35 | C36 | H13 | 60.8° | 60.0° |
| C37 | C35 | C36 | H14 | 59.2° | 60.0° |
| C37 | C35 | C36 | H15 | 179.2° | 180.0° |
| C35 | C37 | H16 | H17 | 120.0° | 120.0° |
| C35 | C37 | H16 | H18 | 120.0° | 120.0° |
| C35 | C37 | H17 | H18 | 120.0° | 120.0° |
| C37 | C35 | N38 | H30 | 66.1° | 64.0° |
| O16 | C13 | C12 | C14 | 179.4° | 180.0° |
| O16 | C13 | C12 | C11 | 179.8° | 179.9° |
| O16 | C13 | C14 | C15 | 179.9° | 179.8° |
| O16 | C13 | C12 | H2 | 0.2° | 0.0° |
| O16 | C13 | C14 | H3 | 0.1° | 0.1° |
| C13 | O16 | C17 | H5 | 65.3° | 60.0° |
| C13 | O16 | C17 | H6 | 55.0° | 60.1° |
| C36 | C35 | N38 | O41 | 54.6° | 60.0° |
| C36 | C35 | C34 | H12 | 128.3° | 60.0° |
| C35 | C36 | H13 | H14 | 120.0° | 120.0° |
| C35 | C36 | H13 | H15 | 120.0° | 120.1° |
| C35 | C36 | H14 | H15 | 120.0° | 120.0° |
| C36 | C35 | C37 | H16 | 59.4° | 180.0° |
| C36 | C35 | C37 | H17 | 179.4° | 60.0° |
| C36 | C35 | C37 | H18 | 60.6° | 60.0° |
| C36 | C35 | N38 | H30 | 175.2° | 176.0° |
| C35 | N38 | O41 | H30 | 120.7° | 124.0° |
| C35 | N38 | O41 | S42 | 132.7° | 180.0° |
| N38 | C35 | C34 | H12 | 108.8° | 60.0° |
| N38 | C35 | C36 | H13 | 53.7° | 180.0° |
| N38 | C35 | C36 | H14 | 173.7° | 60.0° |
| N38 | C35 | C36 | H15 | 66.3° | 60.0° |
| N38 | C35 | C37 | H16 | 57.6° | 60.0° |
| N38 | C35 | C37 | H17 | 62.4° | 60.0° |
| N38 | C35 | C37 | H18 | 177.6° | 180.0° |
| N38 | O41 | S42 | O44 | 171.4° | 171.5° |
| N38 | O41 | S42 | O45 | 55.0° | 38.6° |
| N38 | O41 | S42 | O43 | 66.2° | 75.0° |
| C13 | C12 | C11 | H2 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.5° | 0.3° |
| C13 | C12 | C11 | C10 | 0.8° | 0.0° |
| C13 | C12 | C11 | H1 | 179.2° | 179.9° |
| C12 | C13 | C14 | H3 | 179.6° | 180.0° |
| C14 | C13 | C12 | C11 | 0.7° | 0.0° |
| C13 | C14 | C15 | H3 | 180.0° | 179.7° |
| C13 | C14 | C15 | C10 | 0.2° | 0.6° |
| C14 | C13 | C12 | H2 | 179.3° | 180.0° |
| C13 | C14 | C15 | H4 | 179.7° | 180.0° |
| O41 | S42 | O44 | O45 | 117.5° | 122.9° |
| O41 | S42 | O44 | O43 | 120.8° | 114.1° |
| O41 | S42 | O45 | O43 | 120.1° | 114.1° |
| S42 | O41 | N38 | H30 | 106.6° | 56.0° |
| O41 | S42 | O43 | H34 | 119.9° | 179.9° |
| C12 | C11 | C10 | H1 | 180.0° | 180.0° |
| C12 | C11 | C10 | C15 | 0.5° | 0.2° |
| C12 | C11 | C10 | C8 | 179.7° | 180.0° |
| C14 | C15 | C10 | C11 | 0.3° | 0.6° |
| C14 | C15 | C10 | H4 | 180.0° | 179.5° |
| C14 | C15 | C10 | C8 | 180.0° | 179.7° |
| C11 | C10 | C15 | C8 | 179.8° | 179.7° |
| C11 | C10 | C8 | N7 | 11.6° | 180.0° |
| C11 | C10 | C8 | N9 | 168.3° | 0.0° |
| C10 | C11 | C12 | H2 | 179.2° | 180.0° |
| C11 | C10 | C15 | H4 | 179.7° | 180.0° |
| O44 | S42 | O45 | O43 | 122.1° | 123.0° |
| O44 | S42 | O43 | H34 | 119.2° | 66.5° |
| O45 | S42 | O43 | H34 | 0.0° | 66.4° |
| C15 | C10 | C8 | N7 | 168.7° | 0.3° |
| C15 | C10 | C8 | N9 | 11.4° | 179.7° |
| C15 | C10 | C11 | H1 | 179.5° | 179.8° |
| C10 | C15 | C14 | H3 | 179.8° | 179.8° |
| C10 | C8 | N7 | N9 | 179.9° | 180.0° |
| C10 | C8 | N7 | C3 | 78.0° | 180.0° |
| C8 | C10 | C11 | H1 | 0.3° | 0.1° |
| C8 | C10 | C15 | H4 | 0.1° | 0.3° |
| C10 | C8 | N7 | H31 | 102.0° | 0.0° |
| C10 | C8 | N9 | H32 | 179.9° | 180.0° |
| N1 | C2 | C3 | H8 | 120.3° | 120.1° |
| N1 | C2 | C3 | H9 | 120.4° | 120.0° |
| C2 | N1 | C6 | H26 | 120.1° | 124.1° |
| C2 | N1 | C6 | C5 | 62.2° | 61.7° |
| N1 | C2 | C3 | N7 | 177.0° | 179.1° |
| N1 | C2 | C3 | C4 | 53.8° | 59.2° |
| N1 | C2 | H8 | H9 | 119.0° | 120.0° |
| N1 | C2 | C3 | H10 | 64.1° | 60.7° |
| C2 | N1 | C6 | H24 | 177.8° | 58.3° |
| C2 | N1 | C6 | H25 | 57.9° | 178.3° |
| C3 | C2 | N1 | C6 | 59.0° | 61.7° |
| C2 | C3 | N7 | C8 | 108.0° | 85.0° |
| C2 | C3 | N7 | C4 | 123.0° | 119.8° |
| C2 | C3 | N7 | H10 | 118.3° | 120.1° |
| C2 | C3 | C4 | H10 | 117.9° | 119.9° |
| C2 | C3 | C4 | C5 | 52.2° | 57.6° |
| C3 | C2 | H8 | H9 | 119.0° | 119.9° |
| C2 | C3 | C4 | H20 | 67.9° | 62.2° |
| C2 | C3 | C4 | H21 | 172.4° | 177.5° |
| C3 | C2 | N1 | H26 | 61.1° | 62.3° |
| C2 | C3 | N7 | H31 | 72.0° | 95.0° |
| N1 | C6 | C5 | H24 | 120.1° | 120.0° |
| N1 | C6 | C5 | H25 | 120.0° | 120.0° |
| N1 | C6 | C5 | C4 | 60.7° | 59.2° |
| C6 | N1 | C2 | H8 | 61.3° | 178.2° |
| C6 | N1 | C2 | H9 | 179.4° | 58.3° |
| N1 | C6 | C5 | H22 | 59.3° | 179.1° |
| N1 | C6 | C5 | H23 | 179.2° | 60.8° |
| N1 | C6 | H24 | H25 | 119.9° | 120.0° |
| C6 | C5 | C4 | C3 | 55.8° | 57.6° |
| C6 | C5 | C4 | H22 | 120.0° | 120.0° |
| C6 | C5 | C4 | H23 | 120.0° | 120.0° |
| C6 | C5 | C4 | H20 | 64.3° | 62.3° |
| C6 | C5 | C4 | H21 | 176.0° | 177.5° |
| C6 | C5 | H22 | H23 | 119.9° | 120.2° |
| C5 | C6 | H24 | H25 | 119.9° | 119.9° |
| C5 | C6 | N1 | H26 | 58.0° | 62.4° |
| C8 | N7 | C3 | H31 | 180.0° | 180.0° |
| C8 | N7 | C3 | C4 | 15.0° | 155.2° |
| C8 | N7 | C3 | H10 | 133.7° | 35.2° |
| N7 | C8 | N9 | H32 | 0.0° | 0.1° |
| N9 | C8 | N7 | C3 | 102.1° | 0.0° |
| N9 | C8 | N7 | H31 | 77.9° | 179.9° |
| N7 | C3 | C4 | H10 | 119.3° | 120.1° |
| N7 | C3 | C4 | C5 | 175.0° | 177.6° |
| N7 | C3 | C2 | H8 | 56.7° | 60.8° |
| N7 | C3 | C2 | H9 | 62.6° | 59.1° |
| N7 | C3 | C4 | H20 | 54.9° | 57.7° |
| N7 | C3 | C4 | H21 | 64.8° | 62.5° |
| C3 | C4 | C5 | H20 | 120.2° | 119.9° |
| C3 | C4 | C5 | H21 | 120.2° | 119.9° |
| C4 | C3 | C2 | H8 | 66.5° | 179.3° |
| C4 | C3 | C2 | H9 | 174.2° | 60.8° |
| C3 | C4 | H20 | H21 | 119.5° | 120.2° |
| C3 | C4 | C5 | H22 | 64.2° | 177.7° |
| C3 | C4 | C5 | H23 | 175.9° | 62.3° |
| C4 | C3 | N7 | H31 | 165.0° | 24.8° |
| C5 | C4 | C3 | H10 | 65.7° | 62.3° |
| C5 | C4 | H20 | H21 | 119.5° | 120.1° |
| C4 | C5 | H22 | H23 | 119.9° | 120.0° |
| C4 | C5 | C6 | H24 | 179.2° | 60.9° |
| C4 | C5 | C6 | H25 | 59.3° | 179.2° |
| H1 | C11 | C12 | H2 | 0.8° | 0.0° |
| H3 | C14 | C15 | H4 | 0.2° | 0.3° |
| H5 | C17 | C18 | H7 | 172.6° | 55.0° |
| H6 | C17 | C18 | H7 | 67.0° | 65.0° |
| H8 | C2 | C3 | H10 | 175.5° | 59.4° |
| H8 | C2 | N1 | H26 | 178.6° | 57.7° |
| H9 | C2 | C3 | H10 | 56.2° | 179.3° |
| H9 | C2 | N1 | H26 | 59.3° | 177.7° |
| H10 | C3 | C4 | H20 | 174.1° | 177.8° |
| H10 | C3 | C4 | H21 | 54.5° | 57.6° |
| H10 | C3 | N7 | H31 | 46.3° | 144.8° |
| H12 | C34 | C39 | H19 | 45.5° | 60.0° |
| H12 | C34 | N33 | H29 | 156.7° | 145.1° |
| H13 | C36 | H14 | H15 | 120.0° | 119.9° |
| H16 | C37 | H17 | H18 | 120.0° | 120.0° |
| H20 | C4 | C5 | H22 | 175.6° | 57.7° |
| H20 | C4 | C5 | H23 | 55.7° | 177.8° |
| H21 | C4 | C5 | H22 | 56.0° | 62.4° |
| H21 | C4 | C5 | H23 | 63.9° | 57.6° |
| H22 | C5 | C6 | H24 | 60.8° | 59.1° |
| H22 | C5 | C6 | H25 | 179.3° | 60.9° |
| H23 | C5 | C6 | H24 | 59.2° | 179.2° |
| H23 | C5 | C6 | H25 | 60.7° | 59.3° |
| H24 | C6 | N1 | H26 | 62.1° | 177.6° |
| H25 | C6 | N1 | H26 | 178.0° | 57.6° |
