HZ0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O41 | C39 | sing | 1.43Å | 1.50Å | |
| O41 | C42 | sing | 1.43Å | 1.45Å | |
| C40 | C39 | sing | 1.53Å | 1.56Å | |
| C44 | C43 | sing | 1.53Å | 1.52Å | |
| CL1 | C15 | sing | 1.74Å | 1.75Å | |
| C39 | C42 | sing | 1.53Å | 1.48Å | |
| C39 | C24 | sing | 1.53Å | 1.53Å | |
| C42 | C43 | sing | 1.53Å | 1.56Å | |
| O22 | C21 | doub | 1.21Å | 1.22Å | |
| C43 | C45 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C24 | O25 | sing | 1.45Å | 1.39Å | |
| C21 | C23 | sing | 1.51Å | 1.54Å | |
| C21 | N19 | sing | 1.35Å | 1.46Å | |
| O27 | C26 | doub | 1.21Å | 1.22Å | |
| C14 | O13 | sing | 1.43Å | 1.42Å | |
| C20 | N19 | sing | 1.47Å | 1.44Å | |
| N19 | C17 | sing | 1.40Å | 1.47Å | |
| C15 | C17 | doub | 1.39Å | 1.42Å | Aromatic |
| C15 | C12 | sing | 1.39Å | 1.42Å | Aromatic |
| O13 | C12 | sing | 1.36Å | 1.42Å | |
| C45 | O52 | sing | 1.45Å | 1.38Å | |
| C45 | C46 | sing | 1.53Å | 1.57Å | |
| O52 | C50 | sing | 1.34Å | 1.38Å | |
| O25 | C26 | sing | 1.34Å | 1.44Å | |
| C17 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
| C26 | C28 | sing | 1.51Å | 1.53Å | |
| C12 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C46 | C47 | sing | 1.53Å | 1.57Å | |
| C50 | O51 | doub | 1.22Å | 1.23Å | |
| C50 | N49 | sing | 1.34Å | 1.40Å | |
| C18 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | N30 | sing | 1.46Å | 1.45Å | |
| C10 | C09 | sing | 1.50Å | 1.55Å | |
| C08 | C07 | sing | 1.51Å | 1.53Å | |
| C31 | N30 | sing | 1.46Å | 1.44Å | |
| N30 | C32 | sing | 1.35Å | 1.47Å | |
| N49 | C47 | sing | 1.46Å | 1.43Å | |
| C47 | O48 | sing | 1.43Å | 1.41Å | |
| C47 | C03 | sing | 1.53Å | 1.52Å | |
| C07 | C09 | sing | 1.50Å | 1.55Å | |
| C07 | C06 | doub | 1.33Å | 1.38Å | |
| C32 | C34 | sing | 1.51Å | 1.55Å | |
| C32 | O33 | doub | 1.21Å | 1.22Å | |
| C06 | C05 | sing | 1.47Å | 1.54Å | |
| C34 | C35 | sing | 1.53Å | 1.54Å | |
| C04 | C03 | sing | 1.50Å | 1.53Å | |
| C04 | C05 | doub | 1.33Å | 1.38Å | |
| C03 | O02 | sing | 1.43Å | 1.42Å | |
| O02 | C01 | sing | 1.43Å | 1.44Å | |
| C35 | S36 | sing | 1.81Å | 1.79Å | |
| S36 | S37 | sing | 2.05Å | 2.06Å | |
| S37 | C38 | sing | 1.81Å | 1.77Å | |
| C20 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C28 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.08Å | 1.08Å | |
| C05 | H12 | sing | 1.08Å | 1.08Å | |
| C06 | H14 | sing | 1.08Å | 1.08Å | |
| C08 | H083 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.08Å | 1.08Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C34 | H26 | sing | 1.09Å | 1.10Å | |
| C34 | H27 | sing | 1.09Å | 1.10Å | |
| C35 | H28 | sing | 1.09Å | 1.10Å | |
| C35 | H29 | sing | 1.09Å | 1.10Å | |
| C38 | H30 | sing | 1.09Å | 1.10Å | |
| C38 | H31 | sing | 1.09Å | 1.10Å | |
| C38 | H32 | sing | 1.09Å | 1.10Å | |
| C40 | H33 | sing | 1.09Å | 1.10Å | |
| C40 | H34 | sing | 1.09Å | 1.10Å | |
| C40 | H35 | sing | 1.09Å | 1.10Å | |
| C42 | H36 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C44 | H443 | sing | 1.09Å | 1.10Å | |
| C45 | H37 | sing | 1.10Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C46 | H38 | sing | 1.09Å | 1.10Å | |
| O48 | H39 | sing | 0.97Å | 0.95Å | |
| N49 | H40 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C39 | O41 | C42 | 60.5° | 64.7° |
| O41 | C39 | C40 | 84.6° | 117.9° |
| O41 | C39 | C42 | 58.0° | 57.7° |
| O41 | C39 | C24 | 132.4° | 118.4° |
| O41 | C42 | C39 | 61.5° | 57.7° |
| O41 | C42 | C43 | 107.3° | 117.9° |
| O41 | C42 | H36 | 118.4° | 118.1° |
| C40 | C39 | C42 | 131.8° | 117.7° |
| C40 | C39 | C24 | 86.8° | 115.5° |
| C39 | C40 | H33 | 109.5° | 109.5° |
| C39 | C40 | H34 | 109.5° | 109.4° |
| C39 | C40 | H35 | 109.5° | 109.5° |
| C44 | C43 | C42 | 107.7° | 109.6° |
| C44 | C43 | C45 | 107.6° | 109.5° |
| C44 | C43 | H431 | 108.1° | 109.7° |
| C43 | C44 | H442 | 109.5° | 109.4° |
| C43 | C44 | H441 | 109.4° | 109.5° |
| C43 | C44 | H443 | 109.5° | 109.4° |
| CL1 | C15 | C17 | 119.5° | 120.1° |
| CL1 | C15 | C12 | 119.7° | 120.1° |
| C42 | C39 | C24 | 96.7° | 117.4° |
| C39 | C42 | C43 | 122.9° | 117.5° |
| C39 | C42 | H36 | 117.6° | 117.8° |
| C39 | C24 | C23 | 103.2° | 109.7° |
| C39 | C24 | O25 | 117.3° | 109.4° |
| C39 | C24 | H4 | 108.1° | 109.4° |
| C42 | C43 | C45 | 117.7° | 108.9° |
| C43 | C42 | H36 | 116.0° | 115.6° |
| C42 | C43 | H431 | 107.5° | 109.6° |
| O22 | C21 | C23 | 120.8° | 120.1° |
| O22 | C21 | N19 | 122.0° | 120.1° |
| C43 | C45 | O52 | 108.8° | 109.9° |
| C43 | C45 | C46 | 109.8° | 110.3° |
| C45 | C43 | H431 | 108.0° | 109.6° |
| C43 | C45 | H37 | 109.3° | 109.0° |
| C23 | C24 | O25 | 109.8° | 109.5° |
| C24 | C23 | C21 | 109.7° | 109.4° |
| C23 | C24 | H4 | 108.0° | 109.4° |
| C24 | C23 | H21 | 109.4° | 109.5° |
| C24 | C23 | H22 | 109.4° | 109.5° |
| C24 | O25 | C26 | 108.2° | 117.0° |
| O25 | C24 | H4 | 109.9° | 109.5° |
| C23 | C21 | N19 | 117.2° | 119.8° |
| C21 | C23 | H21 | 109.4° | 109.4° |
| C21 | C23 | H22 | 109.4° | 109.5° |
| C21 | N19 | C20 | 118.0° | 119.3° |
| C21 | N19 | C17 | 120.9° | 121.3° |
| O27 | C26 | O25 | 117.6° | 120.0° |
| O27 | C26 | C28 | 122.4° | 120.0° |
| C14 | O13 | C12 | 113.9° | 116.9° |
| O13 | C14 | H142 | 109.5° | 109.4° |
| O13 | C14 | H141 | 109.4° | 109.5° |
| O13 | C14 | H19 | 109.5° | 109.5° |
| C20 | N19 | C17 | 121.2° | 119.3° |
| N19 | C20 | H1 | 109.5° | 109.5° |
| N19 | C20 | H2 | 109.4° | 109.4° |
| N19 | C20 | H3 | 109.5° | 109.5° |
| N19 | C17 | C15 | 123.6° | 119.8° |
| N19 | C17 | C18 | 120.1° | 120.4° |
| C17 | C15 | C12 | 120.8° | 119.8° |
| C15 | C17 | C18 | 116.3° | 119.8° |
| C15 | C12 | O13 | 121.9° | 119.9° |
| C15 | C12 | C11 | 119.2° | 120.1° |
| O13 | C12 | C11 | 118.9° | 120.0° |
| O52 | C45 | C46 | 108.6° | 109.9° |
| C45 | O52 | C50 | 123.8° | 116.5° |
| O52 | C45 | H37 | 111.4° | 108.2° |
| C45 | C46 | C47 | 113.9° | 109.3° |
| C46 | C45 | H37 | 108.8° | 109.5° |
| C45 | C46 | H461 | 108.3° | 109.5° |
| C45 | C46 | H38 | 108.3° | 109.5° |
| O52 | C50 | O51 | 120.4° | 118.4° |
| O52 | C50 | N49 | 120.1° | 123.2° |
| O25 | C26 | C28 | 119.8° | 120.0° |
| C17 | C18 | C10 | 124.7° | 120.2° |
| C17 | C18 | H20 | 117.6° | 119.9° |
| C26 | C28 | C29 | 111.7° | 109.5° |
| C26 | C28 | N30 | 108.1° | 109.5° |
| C26 | C28 | H5 | 106.2° | 109.4° |
| C12 | C11 | C10 | 121.8° | 120.1° |
| C12 | C11 | H18 | 119.1° | 119.9° |
| C46 | C47 | N49 | 118.9° | 109.6° |
| C46 | C47 | O48 | 87.8° | 109.4° |
| C46 | C47 | C03 | 121.4° | 110.2° |
| C47 | C46 | H461 | 108.4° | 109.5° |
| C47 | C46 | H38 | 108.3° | 109.5° |
| O51 | C50 | N49 | 119.4° | 118.3° |
| C50 | N49 | C47 | 119.2° | 123.9° |
| C50 | N49 | H40 | 120.4° | 118.1° |
| C18 | C10 | C11 | 117.1° | 120.0° |
| C18 | C10 | C09 | 121.0° | 120.3° |
| C10 | C18 | H20 | 117.7° | 119.9° |
| C29 | C28 | N30 | 116.6° | 109.5° |
| C29 | C28 | H5 | 106.4° | 109.4° |
| C28 | C29 | H23 | 109.5° | 109.5° |
| C28 | C29 | H24 | 109.4° | 109.4° |
| C28 | C29 | H25 | 109.5° | 109.5° |
| C11 | C10 | C09 | 121.9° | 119.8° |
| C10 | C11 | H18 | 119.1° | 119.9° |
| C28 | N30 | C31 | 116.3° | 120.0° |
| C28 | N30 | C32 | 128.7° | 120.0° |
| N30 | C28 | H5 | 107.2° | 109.5° |
| C10 | C09 | C07 | 108.8° | 110.7° |
| C10 | C09 | H091 | 109.7° | 109.2° |
| C10 | C09 | H17 | 109.6° | 109.2° |
| C08 | C07 | C09 | 118.7° | 120.3° |
| C08 | C07 | C06 | 118.2° | 119.7° |
| C07 | C08 | H083 | 109.5° | 109.5° |
| C07 | C08 | H081 | 109.5° | 109.5° |
| C07 | C08 | H082 | 109.4° | 109.5° |
| C31 | N30 | C32 | 115.0° | 120.0° |
| N30 | C31 | H313 | 109.5° | 109.5° |
| N30 | C31 | H311 | 109.5° | 109.5° |
| N30 | C31 | H312 | 109.4° | 109.5° |
| N30 | C32 | C34 | 125.4° | 120.0° |
| N30 | C32 | O33 | 117.4° | 120.0° |
| N49 | C47 | O48 | 86.3° | 109.2° |
| N49 | C47 | C03 | 118.5° | 109.0° |
| C47 | N49 | H40 | 120.4° | 118.0° |
| O48 | C47 | C03 | 85.0° | 109.3° |
| C47 | O48 | H39 | 109.5° | 114.0° |
| C47 | C03 | C04 | 111.0° | 111.3° |
| C47 | C03 | O02 | 109.6° | 109.1° |
| C47 | C03 | H9 | 108.5° | 109.1° |
| C09 | C07 | C06 | 119.8° | 120.0° |
| C07 | C09 | H091 | 109.6° | 109.2° |
| C07 | C09 | H17 | 109.6° | 109.2° |
| C07 | C06 | C05 | 119.4° | 120.7° |
| C07 | C06 | H14 | 120.3° | 119.6° |
| C34 | C32 | O33 | 117.2° | 120.0° |
| C32 | C34 | C35 | 110.2° | 109.5° |
| C32 | C34 | H26 | 109.3° | 109.4° |
| C32 | C34 | H27 | 109.3° | 109.4° |
| C06 | C05 | C04 | 121.4° | 120.0° |
| C06 | C05 | H12 | 119.3° | 119.7° |
| C05 | C06 | H14 | 120.3° | 119.8° |
| C34 | C35 | S36 | 112.5° | 109.5° |
| C35 | C34 | H26 | 109.3° | 109.5° |
| C35 | C34 | H27 | 109.3° | 109.5° |
| C34 | C35 | H28 | 108.7° | 109.5° |
| C34 | C35 | H29 | 108.7° | 109.5° |
| C03 | C04 | C05 | 120.4° | 120.9° |
| C04 | C03 | O02 | 109.4° | 109.1° |
| C04 | C03 | H9 | 108.4° | 109.2° |
| C03 | C04 | H10 | 119.8° | 119.7° |
| C05 | C04 | H10 | 119.8° | 119.5° |
| C04 | C05 | H12 | 119.3° | 120.1° |
| C03 | O02 | C01 | 115.9° | 114.0° |
| O02 | C03 | H9 | 109.9° | 109.1° |
| O02 | C01 | H6 | 109.5° | 109.5° |
| O02 | C01 | H7 | 109.5° | 109.4° |
| O02 | C01 | H8 | 109.5° | 109.5° |
| C35 | S36 | S37 | 110.3° | 103.0° |
| S36 | C35 | H28 | 108.7° | 109.5° |
| S36 | C35 | H29 | 108.7° | 109.5° |
| S36 | S37 | C38 | 109.6° | 103.0° |
| S37 | C38 | H30 | 109.5° | 109.5° |
| S37 | C38 | H31 | 109.4° | 109.5° |
| S37 | C38 | H32 | 109.5° | 109.5° |
| H1 | C20 | H2 | 109.4° | 109.5° |
| H1 | C20 | H3 | 109.4° | 109.5° |
| H2 | C20 | H3 | 109.5° | 109.4° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H8 | 109.4° | 109.5° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H083 | C08 | H081 | 109.5° | 109.5° |
| H083 | C08 | H082 | 109.5° | 109.4° |
| H081 | C08 | H082 | 109.5° | 109.4° |
| H091 | C09 | H17 | 109.5° | 109.2° |
| H142 | C14 | H141 | 109.5° | 109.4° |
| H142 | C14 | H19 | 109.5° | 109.4° |
| H141 | C14 | H19 | 109.5° | 109.5° |
| H21 | C23 | H22 | 109.5° | 109.5° |
| H23 | C29 | H24 | 109.5° | 109.4° |
| H23 | C29 | H25 | 109.4° | 109.5° |
| H24 | C29 | H25 | 109.5° | 109.5° |
| H313 | C31 | H311 | 109.5° | 109.5° |
| H313 | C31 | H312 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.4° |
| H26 | C34 | H27 | 109.5° | 109.5° |
| H28 | C35 | H29 | 109.4° | 109.5° |
| H30 | C38 | H31 | 109.5° | 109.4° |
| H30 | C38 | H32 | 109.5° | 109.5° |
| H31 | C38 | H32 | 109.5° | 109.5° |
| H33 | C40 | H34 | 109.5° | 109.5° |
| H33 | C40 | H35 | 109.4° | 109.5° |
| H34 | C40 | H35 | 109.4° | 109.5° |
| H442 | C44 | H441 | 109.5° | 109.5° |
| H442 | C44 | H443 | 109.4° | 109.5° |
| H441 | C44 | H443 | 109.5° | 109.5° |
| H461 | C46 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O41 | C39 | C40 | C42 | 37.1° | 66.1° |
| O41 | C39 | C40 | C24 | 133.2° | 148.1° |
| O41 | C39 | C42 | C24 | 136.7° | 107.8° |
| C39 | O41 | C42 | C43 | 118.6° | 106.5° |
| O41 | C39 | C24 | C23 | 132.6° | 137.5° |
| O41 | C39 | C24 | O25 | 106.6° | 102.4° |
| O41 | C39 | C24 | H4 | 18.3° | 17.5° |
| O41 | C39 | C40 | H33 | 180.0° | 27.9° |
| O41 | C39 | C40 | H34 | 60.0° | 92.1° |
| O41 | C39 | C40 | H35 | 60.0° | 147.9° |
| C39 | O41 | C42 | H36 | 107.8° | 106.7° |
| O41 | C42 | C43 | C44 | 66.5° | 41.8° |
| O41 | C42 | C43 | H36 | 134.9° | 147.7° |
| O41 | C42 | C43 | C45 | 171.7° | 161.6° |
| O41 | C42 | C43 | H431 | 49.7° | 78.6° |
| C40 | C39 | C42 | C24 | 91.6° | 145.2° |
| C40 | C39 | C42 | C43 | 138.0° | 0.1° |
| C40 | C39 | C24 | C23 | 52.9° | 10.4° |
| C40 | C39 | C24 | O25 | 173.7° | 109.7° |
| C40 | C39 | C24 | H4 | 61.4° | 130.4° |
| C39 | C40 | H33 | H34 | 120.0° | 119.9° |
| C39 | C40 | H33 | H35 | 120.0° | 120.0° |
| C39 | C40 | H34 | H35 | 120.0° | 120.0° |
| C40 | C39 | C42 | H36 | 64.0° | 145.7° |
| C44 | C43 | C42 | C39 | 133.4° | 107.8° |
| C44 | C43 | C42 | C45 | 121.7° | 119.8° |
| C44 | C43 | C42 | H431 | 116.2° | 120.4° |
| C44 | C43 | C45 | H431 | 116.4° | 120.3° |
| C44 | C43 | C45 | O52 | 41.2° | 21.4° |
| C44 | C43 | C45 | C46 | 160.0° | 142.7° |
| C44 | C43 | C42 | H36 | 68.3° | 105.9° |
| C43 | C44 | H442 | H441 | 120.0° | 120.0° |
| C43 | C44 | H442 | H443 | 120.0° | 119.9° |
| C43 | C44 | H441 | H443 | 120.0° | 120.0° |
| C44 | C43 | C45 | H37 | 80.8° | 97.0° |
| CL1 | C15 | C17 | N19 | 0.2° | 1.0° |
| CL1 | C15 | C17 | C12 | 179.9° | 179.9° |
| CL1 | C15 | C12 | O13 | 0.2° | 0.1° |
| CL1 | C15 | C17 | C18 | 179.8° | 179.4° |
| CL1 | C15 | C12 | C11 | 179.9° | 179.8° |
| C39 | C42 | C43 | H36 | 158.3° | 146.3° |
| C39 | C42 | C43 | C45 | 104.9° | 132.4° |
| C42 | C39 | C24 | C23 | 175.5° | 156.3° |
| C42 | C39 | C24 | O25 | 54.6° | 36.2° |
| C42 | C39 | C24 | H4 | 70.3° | 83.7° |
| C42 | C39 | C40 | H33 | 142.9° | 38.2° |
| C42 | C39 | C40 | H34 | 97.1° | 158.2° |
| C42 | C39 | C40 | H35 | 22.9° | 81.8° |
| C39 | C42 | C43 | H431 | 17.1° | 12.6° |
| C24 | C39 | C42 | C43 | 130.3° | 145.1° |
| C39 | C24 | C23 | O25 | 125.8° | 120.1° |
| C39 | C24 | C23 | H4 | 114.3° | 120.0° |
| C39 | C24 | O25 | H4 | 123.9° | 119.9° |
| C39 | C24 | C23 | C21 | 147.7° | 109.3° |
| C39 | C24 | O25 | C26 | 144.9° | 98.5° |
| C39 | C24 | C23 | H21 | 92.3° | 130.7° |
| C39 | C24 | C23 | H22 | 27.6° | 10.7° |
| C24 | C39 | C40 | H33 | 46.8° | 176.0° |
| C24 | C39 | C40 | H34 | 166.9° | 56.0° |
| C24 | C39 | C40 | H35 | 73.2° | 64.0° |
| C24 | C39 | C42 | H36 | 27.6° | 0.5° |
| C42 | C43 | C45 | H431 | 121.8° | 119.9° |
| C42 | C43 | C45 | O52 | 163.0° | 141.2° |
| C42 | C43 | C45 | C46 | 78.2° | 97.5° |
| C42 | C43 | C44 | H442 | 180.0° | 60.0° |
| C42 | C43 | C44 | H441 | 60.0° | 180.0° |
| C42 | C43 | C44 | H443 | 60.0° | 60.0° |
| C42 | C43 | C45 | H37 | 41.1° | 22.8° |
| O22 | C21 | C23 | C24 | 20.2° | 52.1° |
| O22 | C21 | C23 | N19 | 179.6° | 179.9° |
| O22 | C21 | N19 | C20 | 0.5° | 168.5° |
| O22 | C21 | N19 | C17 | 179.7° | 11.5° |
| O22 | C21 | C23 | H21 | 140.2° | 172.0° |
| O22 | C21 | C23 | H22 | 99.8° | 68.0° |
| C43 | C45 | O52 | C46 | 119.5° | 121.6° |
| C43 | C45 | O52 | H37 | 120.6° | 118.9° |
| C43 | C45 | C46 | H37 | 119.6° | 120.0° |
| C43 | C45 | O52 | C50 | 166.7° | 163.8° |
| C43 | C45 | C46 | C47 | 155.1° | 178.2° |
| C45 | C43 | C42 | H36 | 53.4° | 13.9° |
| C45 | C43 | C44 | H442 | 52.2° | 179.4° |
| C45 | C43 | C44 | H441 | 67.8° | 60.6° |
| C45 | C43 | C44 | H443 | 172.2° | 59.4° |
| C43 | C45 | C46 | H461 | 34.4° | 61.9° |
| C43 | C45 | C46 | H38 | 84.3° | 58.2° |
| C23 | C24 | O25 | H4 | 118.7° | 119.9° |
| C24 | C23 | C21 | H21 | 120.0° | 120.0° |
| C24 | C23 | C21 | H22 | 120.0° | 120.0° |
| C24 | C23 | C21 | N19 | 159.4° | 128.0° |
| C23 | C24 | O25 | C26 | 97.7° | 141.2° |
| C24 | C23 | H21 | H22 | 119.9° | 120.1° |
| O25 | C24 | C23 | C21 | 86.5° | 10.8° |
| C24 | O25 | C26 | O27 | 45.9° | 3.3° |
| C24 | O25 | C26 | C28 | 139.4° | 176.6° |
| O25 | C24 | C23 | H21 | 33.5° | 109.2° |
| O25 | C24 | C23 | H22 | 153.4° | 130.8° |
| C23 | C21 | N19 | C20 | 179.1° | 11.6° |
| C23 | C21 | N19 | C17 | 0.1° | 168.4° |
| C21 | C23 | C24 | H4 | 33.4° | 130.7° |
| C21 | C23 | H21 | H22 | 119.9° | 120.0° |
| C21 | N19 | C20 | C17 | 179.2° | 180.0° |
| C21 | N19 | C17 | C15 | 110.1° | 168.2° |
| C21 | N19 | C17 | C18 | 70.3° | 11.3° |
| C21 | N19 | C20 | H1 | 180.0° | 6.0° |
| C21 | N19 | C20 | H2 | 60.0° | 126.0° |
| C21 | N19 | C20 | H3 | 60.0° | 114.0° |
| N19 | C21 | C23 | H21 | 39.4° | 8.1° |
| N19 | C21 | C23 | H22 | 80.6° | 112.0° |
| O27 | C26 | O25 | C28 | 174.8° | 179.9° |
| O27 | C26 | C28 | C29 | 48.3° | 100.5° |
| O27 | C26 | C28 | N30 | 81.4° | 19.6° |
| O27 | C26 | C28 | H5 | 163.9° | 139.6° |
| C14 | O13 | C12 | C15 | 117.7° | 180.0° |
| C14 | O13 | C12 | C11 | 62.3° | 0.0° |
| O13 | C14 | H142 | H141 | 120.0° | 120.0° |
| O13 | C14 | H142 | H19 | 120.0° | 120.0° |
| O13 | C14 | H141 | H19 | 120.0° | 120.1° |
| C20 | N19 | C17 | C15 | 70.7° | 11.7° |
| C20 | N19 | C17 | C18 | 108.9° | 168.7° |
| N19 | C20 | H1 | H2 | 120.0° | 120.0° |
| N19 | C20 | H1 | H3 | 120.0° | 120.0° |
| N19 | C20 | H2 | H3 | 120.0° | 120.0° |
| N19 | C17 | C15 | C18 | 179.6° | 179.6° |
| N19 | C17 | C15 | C12 | 179.6° | 178.9° |
| N19 | C17 | C18 | C10 | 179.8° | 178.9° |
| C17 | N19 | C20 | H1 | 0.8° | 174.0° |
| C17 | N19 | C20 | H2 | 120.8° | 54.0° |
| C17 | N19 | C20 | H3 | 119.1° | 65.9° |
| N19 | C17 | C18 | H20 | 0.2° | 1.0° |
| C17 | C15 | C12 | O13 | 180.0° | 179.8° |
| C17 | C15 | C12 | C11 | 0.0° | 0.2° |
| C15 | C17 | C18 | C10 | 0.2° | 0.7° |
| C15 | C17 | C18 | H20 | 179.8° | 179.4° |
| C15 | C12 | O13 | C11 | 180.0° | 179.9° |
| C12 | C15 | C17 | C18 | 0.0° | 0.7° |
| C15 | C12 | C11 | C10 | 0.1° | 0.2° |
| C15 | C12 | C11 | H18 | 179.9° | 179.7° |
| O13 | C12 | C11 | C10 | 179.9° | 179.8° |
| O13 | C12 | C11 | H18 | 0.1° | 0.3° |
| C12 | O13 | C14 | H142 | 180.0° | 180.0° |
| C12 | O13 | C14 | H141 | 60.0° | 60.1° |
| C12 | O13 | C14 | H19 | 60.0° | 60.1° |
| O52 | C45 | C46 | H37 | 121.5° | 118.7° |
| O52 | C45 | C46 | C47 | 36.2° | 60.5° |
| C45 | O52 | C50 | O51 | 147.1° | 173.4° |
| C45 | O52 | C50 | N49 | 33.2° | 6.6° |
| O52 | C45 | C43 | H431 | 75.2° | 98.9° |
| O52 | C45 | C46 | H461 | 84.5° | 59.4° |
| O52 | C45 | C46 | H38 | 156.8° | 179.5° |
| C46 | C45 | O52 | C50 | 47.2° | 42.2° |
| C45 | C46 | C47 | H461 | 120.6° | 120.0° |
| C45 | C46 | C47 | H38 | 120.6° | 120.0° |
| C45 | C46 | C47 | N49 | 16.0° | 43.2° |
| C45 | C46 | C47 | O48 | 68.6° | 76.6° |
| C45 | C46 | C47 | C03 | 151.4° | 163.2° |
| C46 | C45 | C43 | H431 | 43.6° | 22.4° |
| C45 | C46 | H461 | H38 | 118.0° | 120.1° |
| O52 | C50 | O51 | N49 | 179.7° | 179.9° |
| O52 | C50 | N49 | C47 | 5.6° | 11.2° |
| C50 | O52 | C45 | H37 | 72.7° | 77.3° |
| O52 | C50 | N49 | H40 | 174.4° | 168.8° |
| O25 | C26 | C28 | C29 | 137.2° | 79.6° |
| O25 | C26 | C28 | N30 | 93.1° | 160.3° |
| C26 | O25 | C24 | H4 | 21.0° | 21.3° |
| O25 | C26 | C28 | H5 | 21.6° | 40.3° |
| C17 | C18 | C10 | H20 | 180.0° | 179.9° |
| C17 | C18 | C10 | C11 | 0.3° | 0.3° |
| C17 | C18 | C10 | C09 | 179.8° | 179.3° |
| C26 | C28 | C29 | N30 | 125.0° | 120.0° |
| C26 | C28 | C29 | H5 | 115.5° | 120.0° |
| C26 | C28 | N30 | H5 | 114.1° | 120.0° |
| C26 | C28 | N30 | C31 | 37.4° | 60.0° |
| C26 | C28 | N30 | C32 | 143.5° | 120.0° |
| C26 | C28 | C29 | H23 | 180.0° | 59.2° |
| C26 | C28 | C29 | H24 | 60.0° | 60.8° |
| C26 | C28 | C29 | H25 | 60.0° | 179.2° |
| C12 | C11 | C10 | C18 | 0.2° | 0.2° |
| C12 | C11 | C10 | H18 | 180.0° | 179.9° |
| C12 | C11 | C10 | C09 | 179.8° | 179.7° |
| C46 | C47 | N49 | C50 | 0.1° | 9.3° |
| C46 | C47 | N49 | O48 | 85.4° | 119.9° |
| C46 | C47 | N49 | C03 | 167.7° | 120.7° |
| C46 | C47 | O48 | C03 | 121.8° | 120.7° |
| C46 | C47 | C03 | C04 | 19.2° | 40.2° |
| C46 | C47 | C03 | O02 | 140.2° | 160.7° |
| C46 | C47 | C03 | H9 | 99.8° | 80.3° |
| C47 | C46 | C45 | H37 | 85.3° | 58.2° |
| C47 | C46 | H461 | H38 | 118.0° | 120.1° |
| C46 | C47 | O48 | H39 | 180.0° | 180.0° |
| C46 | C47 | N49 | H40 | 179.9° | 170.7° |
| O51 | C50 | N49 | C47 | 174.7° | 168.8° |
| O51 | C50 | N49 | H40 | 5.3° | 11.2° |
| C50 | N49 | C47 | H40 | 180.0° | 180.0° |
| C50 | N49 | C47 | O48 | 85.5° | 110.6° |
| C50 | N49 | C47 | C03 | 167.8° | 130.0° |
| C18 | C10 | C11 | C09 | 179.9° | 179.6° |
| C18 | C10 | C09 | C07 | 59.6° | 28.9° |
| C18 | C10 | C09 | H091 | 179.5° | 91.4° |
| C18 | C10 | C09 | H17 | 60.3° | 149.2° |
| C18 | C10 | C11 | H18 | 179.7° | 179.8° |
| C29 | C28 | N30 | H5 | 119.1° | 120.0° |
| C29 | C28 | N30 | C31 | 164.2° | 60.0° |
| C29 | C28 | N30 | C32 | 16.7° | 119.9° |
| C28 | C29 | H23 | H24 | 120.0° | 119.9° |
| C28 | C29 | H23 | H25 | 120.0° | 120.1° |
| C28 | C29 | H24 | H25 | 120.0° | 120.0° |
| C11 | C10 | C09 | C07 | 120.4° | 151.5° |
| C11 | C10 | C09 | H091 | 0.5° | 88.2° |
| C11 | C10 | C09 | H17 | 119.7° | 31.2° |
| C11 | C10 | C18 | H20 | 179.7° | 179.8° |
| C28 | N30 | C31 | C32 | 179.3° | 180.0° |
| C28 | N30 | C32 | C34 | 0.6° | 180.0° |
| C28 | N30 | C32 | O33 | 179.8° | 0.0° |
| N30 | C28 | C29 | H23 | 55.0° | 179.2° |
| N30 | C28 | C29 | H24 | 175.0° | 59.3° |
| N30 | C28 | C29 | H25 | 65.0° | 60.7° |
| C28 | N30 | C31 | H313 | 180.0° | 90.1° |
| C28 | N30 | C31 | H311 | 60.0° | 149.9° |
| C28 | N30 | C31 | H312 | 60.0° | 30.0° |
| C10 | C09 | C07 | C08 | 62.1° | 64.7° |
| C10 | C09 | C07 | H091 | 119.9° | 120.3° |
| C10 | C09 | C07 | H17 | 119.9° | 120.3° |
| C10 | C09 | C07 | C06 | 96.8° | 114.8° |
| C10 | C09 | H091 | H17 | 120.3° | 119.4° |
| C09 | C10 | C11 | H18 | 0.2° | 0.2° |
| C09 | C10 | C18 | H20 | 0.2° | 0.6° |
| C08 | C07 | C09 | C06 | 158.9° | 179.4° |
| C08 | C07 | C06 | C05 | 63.9° | 2.2° |
| C08 | C07 | C06 | H14 | 116.1° | 176.5° |
| C07 | C08 | H083 | H081 | 120.0° | 120.1° |
| C07 | C08 | H083 | H082 | 120.0° | 120.0° |
| C07 | C08 | H081 | H082 | 120.0° | 120.0° |
| C08 | C07 | C09 | H091 | 57.8° | 175.0° |
| C08 | C07 | C09 | H17 | 178.0° | 55.6° |
| C31 | N30 | C32 | C34 | 179.8° | 0.0° |
| C31 | N30 | C32 | O33 | 0.6° | 180.0° |
| C31 | N30 | C28 | H5 | 76.7° | 180.0° |
| N30 | C31 | H313 | H311 | 120.0° | 120.0° |
| N30 | C31 | H313 | H312 | 120.0° | 120.0° |
| N30 | C31 | H311 | H312 | 120.0° | 120.0° |
| N30 | C32 | C34 | O33 | 179.6° | 180.0° |
| N30 | C32 | C34 | C35 | 100.0° | 180.0° |
| C32 | N30 | C28 | H5 | 102.4° | 0.0° |
| C32 | N30 | C31 | H313 | 0.7° | 90.0° |
| C32 | N30 | C31 | H311 | 120.7° | 30.0° |
| C32 | N30 | C31 | H312 | 119.3° | 150.0° |
| N30 | C32 | C34 | H26 | 20.1° | 60.0° |
| N30 | C32 | C34 | H27 | 139.9° | 60.0° |
| N49 | C47 | O48 | C03 | 119.1° | 119.2° |
| N49 | C47 | C03 | C04 | 148.2° | 160.5° |
| N49 | C47 | C03 | O02 | 27.2° | 79.0° |
| N49 | C47 | C03 | H9 | 92.8° | 40.0° |
| N49 | C47 | C46 | H461 | 104.7° | 76.7° |
| N49 | C47 | C46 | H38 | 136.6° | 163.2° |
| N49 | C47 | O48 | H39 | 60.8° | 60.0° |
| O48 | C47 | C03 | C04 | 65.1° | 80.1° |
| O48 | C47 | C03 | O02 | 55.9° | 40.3° |
| O48 | C47 | C03 | H9 | 175.8° | 159.4° |
| O48 | C47 | C46 | H461 | 170.7° | 163.5° |
| O48 | C47 | C46 | H38 | 52.0° | 43.4° |
| O48 | C47 | N49 | H40 | 94.5° | 69.4° |
| C47 | C03 | C04 | O02 | 121.1° | 120.4° |
| C47 | C03 | C04 | H9 | 119.1° | 120.4° |
| C47 | C03 | C04 | C05 | 128.7° | 87.6° |
| C47 | C03 | O02 | H9 | 119.1° | 119.0° |
| C47 | C03 | O02 | C01 | 98.3° | 149.1° |
| C47 | C03 | C04 | H10 | 51.4° | 92.7° |
| C03 | C47 | C46 | H461 | 87.9° | 43.2° |
| C03 | C47 | C46 | H38 | 30.8° | 76.9° |
| C03 | C47 | O48 | H39 | 58.3° | 59.3° |
| C03 | C47 | N49 | H40 | 12.2° | 50.0° |
| C09 | C07 | C06 | C05 | 137.0° | 178.4° |
| C09 | C07 | C06 | H14 | 43.0° | 2.9° |
| C09 | C07 | C08 | H083 | 180.0° | 95.2° |
| C09 | C07 | C08 | H081 | 60.0° | 144.8° |
| C09 | C07 | C08 | H082 | 60.0° | 24.8° |
| C07 | C09 | H091 | H17 | 120.3° | 119.4° |
| C07 | C06 | C05 | H14 | 180.0° | 178.7° |
| C07 | C06 | C05 | C04 | 132.6° | 164.5° |
| C07 | C06 | C05 | H12 | 47.4° | 20.7° |
| C06 | C07 | C08 | H083 | 20.7° | 84.3° |
| C06 | C07 | C08 | H081 | 99.3° | 35.8° |
| C06 | C07 | C08 | H082 | 140.7° | 155.8° |
| C06 | C07 | C09 | H091 | 143.2° | 5.5° |
| C06 | C07 | C09 | H17 | 23.1° | 125.0° |
| C32 | C34 | C35 | H26 | 120.1° | 120.0° |
| C32 | C34 | C35 | H27 | 120.1° | 119.9° |
| C32 | C34 | C35 | S36 | 44.1° | 180.0° |
| C32 | C34 | H26 | H27 | 119.7° | 119.9° |
| C32 | C34 | C35 | H28 | 76.4° | 60.0° |
| C32 | C34 | C35 | H29 | 164.5° | 60.0° |
| O33 | C32 | C34 | C35 | 80.5° | 0.0° |
| O33 | C32 | C34 | H26 | 159.4° | 120.0° |
| O33 | C32 | C34 | H27 | 39.6° | 120.0° |
| C06 | C05 | C04 | C03 | 144.5° | 169.9° |
| C06 | C05 | C04 | H12 | 180.0° | 174.8° |
| C06 | C05 | C04 | H10 | 35.6° | 9.9° |
| C34 | C35 | S36 | H28 | 120.5° | 120.0° |
| C34 | C35 | S36 | H29 | 120.5° | 120.0° |
| C34 | C35 | S36 | S37 | 88.3° | 70.0° |
| C35 | C34 | H26 | H27 | 119.7° | 120.1° |
| C34 | C35 | H28 | H29 | 118.6° | 120.0° |
| C03 | C04 | C05 | H10 | 180.0° | 179.7° |
| C04 | C03 | O02 | H9 | 118.9° | 119.2° |
| C04 | C03 | O02 | C01 | 139.8° | 89.1° |
| C03 | C04 | C05 | H12 | 35.5° | 4.9° |
| C05 | C04 | C03 | O02 | 110.2° | 32.9° |
| C05 | C04 | C03 | H9 | 9.6° | 152.0° |
| C04 | C05 | C06 | H14 | 47.4° | 14.2° |
| C03 | O02 | C01 | H6 | 180.0° | 180.0° |
| C03 | O02 | C01 | H7 | 60.0° | 60.0° |
| C03 | O02 | C01 | H8 | 60.0° | 60.0° |
| O02 | C03 | C04 | H10 | 69.7° | 146.9° |
| O02 | C01 | H6 | H7 | 120.0° | 120.0° |
| O02 | C01 | H6 | H8 | 120.0° | 120.0° |
| O02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C01 | O02 | C03 | H9 | 20.8° | 30.0° |
| C35 | S36 | S37 | C38 | 171.6° | 85.0° |
| S36 | C35 | C34 | H26 | 164.2° | 60.0° |
| S36 | C35 | C34 | H27 | 76.1° | 60.0° |
| S36 | C35 | H28 | H29 | 118.6° | 120.0° |
| S37 | S36 | C35 | H28 | 151.2° | 50.0° |
| S37 | S36 | C35 | H29 | 32.2° | 170.0° |
| S36 | S37 | C38 | H30 | 180.0° | 59.9° |
| S36 | S37 | C38 | H31 | 60.0° | 60.0° |
| S36 | S37 | C38 | H32 | 60.0° | 180.0° |
| S37 | C38 | H30 | H31 | 120.0° | 119.9° |
| S37 | C38 | H30 | H32 | 120.0° | 120.1° |
| S37 | C38 | H31 | H32 | 120.0° | 120.0° |
| H1 | C20 | H2 | H3 | 120.0° | 120.0° |
| H4 | C24 | C23 | H21 | 153.4° | 10.8° |
| H4 | C24 | C23 | H22 | 86.7° | 109.3° |
| H5 | C28 | C29 | H23 | 64.5° | 60.8° |
| H5 | C28 | C29 | H24 | 55.5° | 179.3° |
| H5 | C28 | C29 | H25 | 175.5° | 59.3° |
| H6 | C01 | H7 | H8 | 120.0° | 120.1° |
| H9 | C03 | C04 | H10 | 170.4° | 27.7° |
| H10 | C04 | C05 | H12 | 144.4° | 175.4° |
| H12 | C05 | C06 | H14 | 132.6° | 160.6° |
| H083 | C08 | H081 | H082 | 120.0° | 119.9° |
| H142 | C14 | H141 | H19 | 120.0° | 120.0° |
| H23 | C29 | H24 | H25 | 120.0° | 120.0° |
| H313 | C31 | H311 | H312 | 120.0° | 120.0° |
| H26 | C34 | C35 | H28 | 43.7° | 180.0° |
| H26 | C34 | C35 | H29 | 75.4° | 60.0° |
| H27 | C34 | C35 | H28 | 163.5° | 60.0° |
| H27 | C34 | C35 | H29 | 44.4° | 180.0° |
| H30 | C38 | H31 | H32 | 120.0° | 120.0° |
| H33 | C40 | H34 | H35 | 120.0° | 120.0° |
| H36 | C42 | C43 | H431 | 175.4° | 133.7° |
| H431 | C43 | C44 | H442 | 64.1° | 60.4° |
| H431 | C43 | C44 | H441 | 175.9° | 59.7° |
| H431 | C43 | C44 | H443 | 55.9° | 179.7° |
| H431 | C43 | C45 | H37 | 162.8° | 142.7° |
| H442 | C44 | H441 | H443 | 120.0° | 120.0° |
| H37 | C45 | C46 | H461 | 154.0° | 178.1° |
| H37 | C45 | C46 | H38 | 35.3° | 61.8° |
