HQV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | O07 | sing | 1.43Å | 1.37Å | |
| C06 | C05 | sing | 1.53Å | 1.64Å | |
| O31 | P13 | doub | 1.48Å | 1.50Å | |
| O41 | C37 | doub | 1.22Å | 1.18Å | |
| O14 | P13 | sing | 1.61Å | 1.63Å | |
| O14 | C15 | sing | 1.43Å | 1.42Å | |
| S08 | C05 | sing | 1.82Å | 1.60Å | |
| S08 | C09 | sing | 1.82Å | 1.69Å | |
| O32 | P13 | sing | 1.61Å | 1.51Å | |
| P13 | O12 | sing | 1.61Å | 1.66Å | |
| O30 | C16 | sing | 1.44Å | 1.54Å | |
| O30 | C21 | sing | 1.44Å | 1.34Å | |
| C05 | C03 | sing | 1.53Å | 1.55Å | |
| C37 | N36 | sing | 1.35Å | 1.46Å | |
| C37 | C38 | sing | 1.47Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.42Å | |
| C16 | C17 | sing | 1.54Å | 1.62Å | |
| C35 | C09 | sing | 1.53Å | 1.57Å | |
| C35 | N36 | sing | 1.47Å | 1.40Å | |
| C35 | C02 | sing | 1.53Å | 1.62Å | |
| C39 | C38 | doub | 1.33Å | 1.38Å | |
| C39 | C40 | sing | 1.51Å | 1.57Å | |
| C09 | O10 | sing | 1.43Å | 1.49Å | |
| O28 | C27 | doub | 1.22Å | 1.18Å | |
| C03 | C02 | sing | 1.53Å | 1.68Å | |
| C03 | O04 | sing | 1.43Å | 1.33Å | |
| O18 | C17 | sing | 1.43Å | 1.53Å | |
| C27 | N22 | sing | 1.35Å | 1.52Å | |
| C27 | N26 | sing | 1.35Å | 1.52Å | |
| C21 | N22 | sing | 1.46Å | 1.42Å | |
| C21 | C19 | sing | 1.54Å | 1.63Å | |
| C02 | O01 | sing | 1.43Å | 1.28Å | |
| N22 | C23 | sing | 1.37Å | 1.44Å | |
| N26 | C25 | sing | 1.35Å | 1.44Å | |
| O12 | P11 | sing | 1.61Å | 1.62Å | |
| C17 | C19 | sing | 1.55Å | 1.25Å | |
| O34 | P11 | doub | 1.48Å | 1.51Å | |
| O10 | P11 | sing | 1.61Å | 1.63Å | |
| C23 | C24 | doub | 1.35Å | 1.43Å | |
| C25 | O29 | doub | 1.22Å | 1.18Å | |
| C25 | C24 | sing | 1.42Å | 1.42Å | |
| P11 | O33 | sing | 1.61Å | 1.54Å | |
| C19 | O20 | sing | 1.43Å | 1.48Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.08Å | 1.08Å | |
| C40 | H1 | sing | 1.09Å | 1.10Å | |
| C40 | H2 | sing | 1.09Å | 1.10Å | |
| C40 | H3 | sing | 1.09Å | 1.10Å | |
| N26 | H261 | sing | 0.97Å | 1.00Å | |
| N36 | H361 | sing | 0.97Å | 1.00Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| O04 | H041 | sing | 0.97Å | 0.95Å | |
| O07 | H071 | sing | 0.97Å | 0.95Å | |
| O18 | H181 | sing | 0.97Å | 0.95Å | |
| O20 | H201 | sing | 0.97Å | 0.95Å | |
| O32 | H4 | sing | 0.97Å | 0.95Å | |
| O33 | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O07 | C06 | C05 | 101.8° | 109.5° |
| O07 | C06 | H061 | 111.3° | 109.5° |
| O07 | C06 | H062 | 111.4° | 109.5° |
| C06 | O07 | H071 | 109.5° | 114.0° |
| C06 | C05 | S08 | 102.0° | 109.7° |
| C06 | C05 | C03 | 102.5° | 109.6° |
| C06 | C05 | H051 | 110.0° | 109.6° |
| C05 | C06 | H061 | 111.4° | 109.5° |
| C05 | C06 | H062 | 111.4° | 109.4° |
| O31 | P13 | O14 | 107.8° | 109.5° |
| O31 | P13 | O32 | 109.8° | 109.5° |
| O31 | P13 | O12 | 110.6° | 109.4° |
| O41 | C37 | N36 | 120.7° | 120.0° |
| O41 | C37 | C38 | 121.4° | 120.0° |
| P13 | O14 | C15 | 115.0° | 123.0° |
| O14 | P13 | O32 | 110.5° | 109.5° |
| O14 | P13 | O12 | 105.6° | 109.5° |
| O14 | C15 | C16 | 107.5° | 109.5° |
| O14 | C15 | H152 | 109.9° | 109.4° |
| O14 | C15 | H151 | 110.0° | 109.4° |
| C05 | S08 | C09 | 110.8° | 102.3° |
| S08 | C05 | C03 | 119.6° | 108.8° |
| S08 | C05 | H051 | 110.5° | 109.5° |
| S08 | C09 | C35 | 106.0° | 108.8° |
| S08 | C09 | O10 | 120.9° | 109.5° |
| S08 | C09 | H091 | 106.5° | 109.7° |
| O32 | P13 | O12 | 112.5° | 109.5° |
| P13 | O32 | H4 | 109.5° | 114.0° |
| P13 | O12 | P11 | 127.9° | 134.0° |
| C16 | O30 | C21 | 108.2° | 105.3° |
| O30 | C16 | C15 | 116.3° | 110.4° |
| O30 | C16 | C17 | 99.4° | 104.8° |
| O30 | C16 | H161 | 105.6° | 110.5° |
| O30 | C21 | N22 | 107.2° | 110.4° |
| O30 | C21 | C19 | 108.0° | 104.8° |
| O30 | C21 | H211 | 109.6° | 110.4° |
| C05 | C03 | C02 | 112.5° | 110.0° |
| C05 | C03 | O04 | 116.5° | 109.4° |
| C05 | C03 | H031 | 108.0° | 109.3° |
| C03 | C05 | H051 | 111.2° | 109.5° |
| N36 | C37 | C38 | 117.8° | 120.0° |
| C37 | N36 | C35 | 121.9° | 120.0° |
| C37 | N36 | H361 | 119.0° | 120.0° |
| C37 | C38 | C39 | 119.0° | 120.0° |
| C37 | C38 | H381 | 120.5° | 120.0° |
| C15 | C16 | C17 | 122.3° | 110.4° |
| C16 | C15 | H152 | 109.9° | 109.5° |
| C16 | C15 | H151 | 109.9° | 109.5° |
| C15 | C16 | H161 | 107.0° | 110.3° |
| C16 | C17 | O18 | 93.1° | 110.6° |
| C16 | C17 | C19 | 110.5° | 104.1° |
| C16 | C17 | H171 | 108.7° | 110.5° |
| C17 | C16 | H161 | 104.8° | 110.4° |
| C09 | C35 | N36 | 105.3° | 109.4° |
| C09 | C35 | C02 | 109.4° | 110.0° |
| C35 | C09 | O10 | 106.3° | 109.6° |
| C35 | C09 | H091 | 107.8° | 109.6° |
| C09 | C35 | H351 | 110.6° | 109.4° |
| N36 | C35 | C02 | 108.3° | 109.4° |
| N36 | C35 | H351 | 113.2° | 109.3° |
| C35 | N36 | H361 | 119.1° | 120.0° |
| C35 | C02 | C03 | 108.7° | 110.7° |
| C35 | C02 | O01 | 107.1° | 109.3° |
| C35 | C02 | H021 | 105.8° | 109.2° |
| C02 | C35 | H351 | 109.9° | 109.3° |
| C38 | C39 | C40 | 113.9° | 120.0° |
| C39 | C38 | H381 | 120.5° | 120.0° |
| C38 | C39 | H391 | 123.1° | 120.0° |
| C40 | C39 | H391 | 123.1° | 120.0° |
| C39 | C40 | H1 | 109.5° | 109.5° |
| C39 | C40 | H2 | 109.5° | 109.4° |
| C39 | C40 | H3 | 109.5° | 109.5° |
| C09 | O10 | P11 | 114.7° | 123.0° |
| O10 | C09 | H091 | 108.8° | 109.6° |
| O28 | C27 | N22 | 126.3° | 119.5° |
| O28 | C27 | N26 | 122.6° | 119.5° |
| C02 | C03 | O04 | 101.7° | 109.4° |
| C03 | C02 | O01 | 119.1° | 109.2° |
| C03 | C02 | H021 | 105.3° | 109.2° |
| C02 | C03 | H031 | 106.5° | 109.4° |
| O04 | C03 | H031 | 111.1° | 109.4° |
| C03 | O04 | H041 | 109.5° | 114.0° |
| O18 | C17 | C19 | 117.6° | 110.5° |
| O18 | C17 | H171 | 110.0° | 110.5° |
| C17 | O18 | H181 | 109.5° | 114.0° |
| N22 | C27 | N26 | 111.1° | 120.9° |
| C27 | N22 | C21 | 115.8° | 119.7° |
| C27 | N22 | C23 | 125.0° | 120.6° |
| C27 | N26 | C25 | 122.3° | 120.3° |
| C27 | N26 | H261 | 118.9° | 119.8° |
| N22 | C21 | C19 | 117.6° | 110.4° |
| C21 | N22 | C23 | 119.1° | 119.7° |
| N22 | C21 | H211 | 108.4° | 110.3° |
| C21 | C19 | C17 | 101.9° | 104.0° |
| C21 | C19 | O20 | 110.2° | 110.5° |
| C19 | C21 | H211 | 105.9° | 110.4° |
| C21 | C19 | H191 | 108.7° | 110.5° |
| O01 | C02 | H021 | 110.2° | 109.2° |
| C02 | O01 | H011 | 109.5° | 114.0° |
| N22 | C23 | C24 | 119.6° | 119.7° |
| N22 | C23 | H231 | 120.2° | 120.1° |
| N26 | C25 | O29 | 118.8° | 120.3° |
| N26 | C25 | C24 | 122.5° | 119.4° |
| C25 | N26 | H261 | 118.9° | 119.9° |
| O12 | P11 | O34 | 107.8° | 109.5° |
| O12 | P11 | O10 | 112.4° | 109.5° |
| O12 | P11 | O33 | 106.1° | 109.5° |
| C17 | C19 | O20 | 110.4° | 110.5° |
| C19 | C17 | H171 | 114.7° | 110.5° |
| C17 | C19 | H191 | 114.7° | 110.5° |
| O34 | P11 | O10 | 107.3° | 109.5° |
| O34 | P11 | O33 | 113.0° | 109.5° |
| O10 | P11 | O33 | 110.1° | 109.5° |
| C23 | C24 | C25 | 119.6° | 119.1° |
| C23 | C24 | H241 | 120.2° | 120.4° |
| C24 | C23 | H231 | 120.2° | 120.2° |
| O29 | C25 | C24 | 118.8° | 120.3° |
| C25 | C24 | H241 | 120.2° | 120.4° |
| P11 | O33 | H5 | 109.5° | 114.1° |
| O20 | C19 | H191 | 110.6° | 110.6° |
| C19 | O20 | H201 | 109.5° | 114.0° |
| H152 | C15 | H151 | 109.5° | 109.5° |
| H061 | C06 | H062 | 109.4° | 109.5° |
| H1 | C40 | H2 | 109.5° | 109.5° |
| H1 | C40 | H3 | 109.5° | 109.4° |
| H2 | C40 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O07 | C06 | C05 | H061 | 118.7° | 120.0° |
| O07 | C06 | C05 | H062 | 118.8° | 120.0° |
| O07 | C06 | C05 | S08 | 167.0° | 64.4° |
| O07 | C06 | C05 | C03 | 68.7° | 55.0° |
| O07 | C06 | C05 | H051 | 49.7° | 175.2° |
| O07 | C06 | H061 | H062 | 123.6° | 120.0° |
| C06 | C05 | S08 | C03 | 112.1° | 119.9° |
| C06 | C05 | S08 | H051 | 116.9° | 120.4° |
| C06 | C05 | S08 | C09 | 155.3° | 173.1° |
| C06 | C05 | C03 | H051 | 117.5° | 120.3° |
| C06 | C05 | C03 | C02 | 150.6° | 177.1° |
| C06 | C05 | C03 | O04 | 92.6° | 56.9° |
| C06 | C05 | C03 | H031 | 33.3° | 62.8° |
| C05 | C06 | H061 | H062 | 123.6° | 120.0° |
| C05 | C06 | O07 | H071 | 180.0° | 180.0° |
| O31 | P13 | O14 | O32 | 119.9° | 120.0° |
| O31 | P13 | O14 | O12 | 118.2° | 120.0° |
| O31 | P13 | O14 | C15 | 176.5° | 55.0° |
| O31 | P13 | O32 | O12 | 123.6° | 120.0° |
| O31 | P13 | O12 | P11 | 47.0° | 40.0° |
| O31 | P13 | O32 | H4 | 0.0° | 180.0° |
| O41 | C37 | N36 | C38 | 179.4° | 180.0° |
| O41 | C37 | N36 | C35 | 1.6° | 0.0° |
| O41 | C37 | C38 | C39 | 24.2° | 0.0° |
| O41 | C37 | C38 | H381 | 155.8° | 180.0° |
| O41 | C37 | N36 | H361 | 178.4° | 180.0° |
| O14 | P13 | O32 | O12 | 117.8° | 120.0° |
| P13 | O14 | C15 | C16 | 151.4° | 180.0° |
| O14 | P13 | O12 | P11 | 163.3° | 160.0° |
| P13 | O14 | C15 | H152 | 88.9° | 60.0° |
| P13 | O14 | C15 | H151 | 31.7° | 60.0° |
| O14 | P13 | O32 | H4 | 118.7° | 60.1° |
| C15 | O14 | P13 | O32 | 56.6° | 65.0° |
| C15 | O14 | P13 | O12 | 65.3° | 175.0° |
| O14 | C15 | C16 | O30 | 134.8° | 69.6° |
| O14 | C15 | C16 | H152 | 119.7° | 120.0° |
| O14 | C15 | C16 | H151 | 119.7° | 120.0° |
| O14 | C15 | C16 | C17 | 103.4° | 175.0° |
| O14 | C15 | H152 | H151 | 120.9° | 120.0° |
| O14 | C15 | C16 | H161 | 17.2° | 52.7° |
| S08 | C05 | C03 | H051 | 130.7° | 119.7° |
| C05 | S08 | C09 | C35 | 56.1° | 53.2° |
| C05 | S08 | C09 | O10 | 64.7° | 66.6° |
| S08 | C05 | C03 | C02 | 38.8° | 63.0° |
| S08 | C05 | C03 | O04 | 155.6° | 176.8° |
| S08 | C05 | C03 | H031 | 78.5° | 57.1° |
| S08 | C05 | C06 | H061 | 48.3° | 55.6° |
| S08 | C05 | C06 | H062 | 74.2° | 175.6° |
| C05 | S08 | C09 | H091 | 170.7° | 173.1° |
| C09 | S08 | C05 | C03 | 43.2° | 53.2° |
| S08 | C09 | C35 | O10 | 129.8° | 119.7° |
| S08 | C09 | C35 | H091 | 113.7° | 120.0° |
| S08 | C09 | C35 | N36 | 174.4° | 176.8° |
| S08 | C09 | C35 | C02 | 69.4° | 63.0° |
| S08 | C09 | O10 | H091 | 123.5° | 120.4° |
| S08 | C09 | O10 | P11 | 119.7° | 90.4° |
| C09 | S08 | C05 | H051 | 87.8° | 66.5° |
| S08 | C09 | C35 | H351 | 51.7° | 57.1° |
| O32 | P13 | O12 | P11 | 76.1° | 80.0° |
| P13 | O12 | P11 | O34 | 28.0° | 45.0° |
| P13 | O12 | P11 | O10 | 90.2° | 165.0° |
| P13 | O12 | P11 | O33 | 149.4° | 75.0° |
| O12 | P13 | O32 | H4 | 123.6° | 60.0° |
| O30 | C16 | C15 | C17 | 121.8° | 115.4° |
| O30 | C16 | C15 | H161 | 117.6° | 122.3° |
| O30 | C16 | C17 | H161 | 109.0° | 118.9° |
| O30 | C16 | C17 | O18 | 95.8° | 142.7° |
| C16 | O30 | C21 | N22 | 144.4° | 159.4° |
| C16 | O30 | C21 | C19 | 16.8° | 40.5° |
| O30 | C16 | C17 | C19 | 25.3° | 24.0° |
| O30 | C16 | C15 | H152 | 15.1° | 170.4° |
| O30 | C16 | C15 | H151 | 105.5° | 50.3° |
| O30 | C16 | C17 | H171 | 151.9° | 94.6° |
| C16 | O30 | C21 | H211 | 98.2° | 78.4° |
| C21 | O30 | C16 | C15 | 132.0° | 159.3° |
| C21 | O30 | C16 | C17 | 1.3° | 40.5° |
| O30 | C21 | N22 | C27 | 112.8° | 129.6° |
| O30 | C21 | N22 | C19 | 121.8° | 115.4° |
| O30 | C21 | N22 | H211 | 118.2° | 122.4° |
| O30 | C21 | C19 | H211 | 117.4° | 118.9° |
| O30 | C21 | N22 | C23 | 63.8° | 50.4° |
| O30 | C21 | C19 | C17 | 33.6° | 24.0° |
| O30 | C21 | C19 | O20 | 150.8° | 142.6° |
| C21 | O30 | C16 | H161 | 109.6° | 78.4° |
| O30 | C21 | C19 | H191 | 87.9° | 94.7° |
| C05 | C03 | C02 | C35 | 46.9° | 70.7° |
| C05 | C03 | C02 | O04 | 125.4° | 120.2° |
| C05 | C03 | C02 | H031 | 118.2° | 120.1° |
| C05 | C03 | O04 | H031 | 124.3° | 119.7° |
| C05 | C03 | C02 | O01 | 169.7° | 169.0° |
| C05 | C03 | C02 | H021 | 66.1° | 49.6° |
| C03 | C05 | C06 | H061 | 172.6° | 175.0° |
| C03 | C05 | C06 | H062 | 50.1° | 65.0° |
| C05 | C03 | O04 | H041 | 180.0° | 59.4° |
| C37 | N36 | C35 | C09 | 94.3° | 85.0° |
| C37 | N36 | C35 | H361 | 180.0° | 179.9° |
| C37 | N36 | C35 | C02 | 148.7° | 154.5° |
| N36 | C37 | C38 | C39 | 156.5° | 180.0° |
| C37 | N36 | C35 | H351 | 26.7° | 34.8° |
| N36 | C37 | C38 | H381 | 23.5° | 0.0° |
| C38 | C37 | N36 | C35 | 177.8° | 180.0° |
| C37 | C38 | C39 | H381 | 180.0° | 180.0° |
| C37 | C38 | C39 | C40 | 179.4° | 180.0° |
| C37 | C38 | C39 | H391 | 0.6° | 0.0° |
| C38 | C37 | N36 | H361 | 2.2° | 0.0° |
| C15 | C16 | C17 | H161 | 121.6° | 122.2° |
| C15 | C16 | C17 | O18 | 134.8° | 98.5° |
| C15 | C16 | C17 | C19 | 104.2° | 142.8° |
| C16 | C15 | H152 | H151 | 120.9° | 120.1° |
| C15 | C16 | C17 | H171 | 22.5° | 24.2° |
| C16 | C17 | O18 | C19 | 115.1° | 114.7° |
| C16 | C17 | O18 | H171 | 111.2° | 122.7° |
| C16 | C17 | C19 | C21 | 33.8° | 0.0° |
| C16 | C17 | C19 | H171 | 123.3° | 118.6° |
| C16 | C17 | C19 | O20 | 150.9° | 118.6° |
| C17 | C16 | C15 | H152 | 136.9° | 55.0° |
| C17 | C16 | C15 | H151 | 16.3° | 65.1° |
| C16 | C17 | C19 | H191 | 83.4° | 118.6° |
| C16 | C17 | O18 | H181 | 180.0° | 176.2° |
| C09 | C35 | N36 | C02 | 117.0° | 120.6° |
| C09 | C35 | N36 | H351 | 121.0° | 119.8° |
| C09 | C35 | C02 | H351 | 121.7° | 120.1° |
| C35 | C09 | O10 | H091 | 115.8° | 120.3° |
| C09 | C35 | C02 | C03 | 65.4° | 70.7° |
| C09 | C35 | C02 | O01 | 164.8° | 169.0° |
| C35 | C09 | O10 | P11 | 119.7° | 150.3° |
| C09 | C35 | C02 | H021 | 47.3° | 49.6° |
| C09 | C35 | N36 | H361 | 85.7° | 95.0° |
| N36 | C35 | C02 | H351 | 124.1° | 119.7° |
| N36 | C35 | C09 | O10 | 55.8° | 63.4° |
| N36 | C35 | C02 | C03 | 179.6° | 169.2° |
| N36 | C35 | C02 | O01 | 50.5° | 48.8° |
| N36 | C35 | C02 | H021 | 67.0° | 70.6° |
| N36 | C35 | C09 | H091 | 60.7° | 56.8° |
| C02 | C35 | C09 | O10 | 60.4° | 56.7° |
| C35 | C02 | C03 | O01 | 122.9° | 120.4° |
| C35 | C02 | C03 | H021 | 113.0° | 120.3° |
| C35 | C02 | C03 | O04 | 172.2° | 169.2° |
| C35 | C02 | O01 | H021 | 114.7° | 119.4° |
| C35 | C02 | C03 | H031 | 71.3° | 49.4° |
| C02 | C35 | C09 | H091 | 176.9° | 177.0° |
| C02 | C35 | N36 | H361 | 31.3° | 25.6° |
| C35 | C02 | O01 | H011 | 180.0° | 179.4° |
| C38 | C39 | C40 | H391 | 180.0° | 179.9° |
| C38 | C39 | C40 | H1 | 180.0° | 180.0° |
| C38 | C39 | C40 | H2 | 60.0° | 60.0° |
| C38 | C39 | C40 | H3 | 60.0° | 60.0° |
| C40 | C39 | C38 | H381 | 0.6° | 0.1° |
| C39 | C40 | H1 | H2 | 120.0° | 120.0° |
| C39 | C40 | H1 | H3 | 120.0° | 120.1° |
| C39 | C40 | H2 | H3 | 120.0° | 120.0° |
| C09 | O10 | P11 | O12 | 63.2° | 175.1° |
| C09 | O10 | P11 | O34 | 55.2° | 55.0° |
| C09 | O10 | P11 | O33 | 178.7° | 65.0° |
| O10 | C09 | C35 | H351 | 178.5° | 176.8° |
| O28 | C27 | N22 | N26 | 179.5° | 179.8° |
| O28 | C27 | N22 | C21 | 2.6° | 0.1° |
| O28 | C27 | N22 | C23 | 179.0° | 179.9° |
| O28 | C27 | N26 | C25 | 179.9° | 179.9° |
| O28 | C27 | N26 | H261 | 0.1° | 0.2° |
| C02 | C03 | O04 | H031 | 113.0° | 119.8° |
| C03 | C02 | O01 | H021 | 121.7° | 119.4° |
| C02 | C03 | C05 | H051 | 92.0° | 56.7° |
| C03 | C02 | C35 | H351 | 56.3° | 49.5° |
| C03 | C02 | O01 | H011 | 56.4° | 59.4° |
| C02 | C03 | O04 | H041 | 57.3° | 180.0° |
| O04 | C03 | C02 | O01 | 64.9° | 48.8° |
| O04 | C03 | C02 | H021 | 59.2° | 70.6° |
| O04 | C03 | C05 | H051 | 24.9° | 63.5° |
| O18 | C17 | C19 | C21 | 71.3° | 118.8° |
| O18 | C17 | C19 | H171 | 131.6° | 122.6° |
| O18 | C17 | C19 | O20 | 45.8° | 0.1° |
| O18 | C17 | C16 | H161 | 13.2° | 23.7° |
| O18 | C17 | C19 | H191 | 171.5° | 122.6° |
| C27 | N22 | C21 | C23 | 176.7° | 180.0° |
| C27 | N22 | C21 | C19 | 125.3° | 115.0° |
| N22 | C27 | N26 | C25 | 0.5° | 0.3° |
| C27 | N22 | C23 | C24 | 1.7° | 0.0° |
| C27 | N22 | C21 | H211 | 5.4° | 7.2° |
| C27 | N22 | C23 | H231 | 178.3° | 180.0° |
| N22 | C27 | N26 | H261 | 179.5° | 180.0° |
| N26 | C27 | N22 | C21 | 177.9° | 179.7° |
| N26 | C27 | N22 | C23 | 1.4° | 0.3° |
| C27 | N26 | C25 | H261 | 180.0° | 179.8° |
| C27 | N26 | C25 | O29 | 179.6° | 180.0° |
| C27 | N26 | C25 | C24 | 0.1° | 0.0° |
| N22 | C21 | C19 | H211 | 121.3° | 122.2° |
| N22 | C21 | C19 | C17 | 155.0° | 142.9° |
| C21 | N22 | C23 | C24 | 178.1° | 180.0° |
| N22 | C21 | C19 | O20 | 87.8° | 98.6° |
| N22 | C21 | C19 | H191 | 33.5° | 24.2° |
| C21 | N22 | C23 | H231 | 1.9° | 0.0° |
| C19 | C21 | N22 | C23 | 58.0° | 65.0° |
| C21 | C19 | C17 | O20 | 117.1° | 118.6° |
| C21 | C19 | C17 | H191 | 117.2° | 118.6° |
| C21 | C19 | O20 | H191 | 120.2° | 122.7° |
| C21 | C19 | C17 | H171 | 157.1° | 118.6° |
| C21 | C19 | O20 | H201 | 180.0° | 176.1° |
| O01 | C02 | C03 | H031 | 51.5° | 71.0° |
| O01 | C02 | C35 | H351 | 73.5° | 70.9° |
| N22 | C23 | C24 | H231 | 180.0° | 180.0° |
| N22 | C23 | C24 | C25 | 0.9° | 0.2° |
| C23 | N22 | C21 | H211 | 178.0° | 172.8° |
| N22 | C23 | C24 | H241 | 179.1° | 180.0° |
| N26 | C25 | C24 | C23 | 0.1° | 0.2° |
| N26 | C25 | O29 | C24 | 179.7° | 180.0° |
| N26 | C25 | C24 | H241 | 179.9° | 180.0° |
| O12 | P11 | O34 | O10 | 121.3° | 120.0° |
| O12 | P11 | O34 | O33 | 117.0° | 120.0° |
| O12 | P11 | O10 | O33 | 118.1° | 120.0° |
| O12 | P11 | O33 | H5 | 118.0° | 60.0° |
| C17 | C19 | O20 | H191 | 128.0° | 122.7° |
| C17 | C19 | C21 | H211 | 83.7° | 94.9° |
| C19 | C17 | C16 | H161 | 134.2° | 95.0° |
| C19 | C17 | O18 | H181 | 65.0° | 61.5° |
| C17 | C19 | O20 | H201 | 68.2° | 61.5° |
| O34 | P11 | O10 | O33 | 123.5° | 120.0° |
| O34 | P11 | O33 | H5 | 0.0° | 180.0° |
| P11 | O10 | C09 | H091 | 3.9° | 30.0° |
| O10 | P11 | O33 | H5 | 120.1° | 60.0° |
| C23 | C24 | C25 | O29 | 179.8° | 179.7° |
| C23 | C24 | C25 | H241 | 180.0° | 179.8° |
| O29 | C25 | C24 | H241 | 0.2° | 0.0° |
| O29 | C25 | N26 | H261 | 0.4° | 0.2° |
| C25 | C24 | C23 | H231 | 179.0° | 179.8° |
| C24 | C25 | N26 | H261 | 179.9° | 179.8° |
| O20 | C19 | C17 | H171 | 85.8° | 122.8° |
| O20 | C19 | C21 | H211 | 33.5° | 23.6° |
| H152 | C15 | C16 | H161 | 102.5° | 67.2° |
| H151 | C15 | C16 | H161 | 136.9° | 172.7° |
| H171 | C17 | C16 | H161 | 99.1° | 146.4° |
| H171 | C17 | C19 | H191 | 39.9° | 0.0° |
| H171 | C17 | O18 | H181 | 68.8° | 61.1° |
| H211 | C21 | C19 | H191 | 154.8° | 146.4° |
| H241 | C24 | C23 | H231 | 0.9° | 0.0° |
| H021 | C02 | C03 | H031 | 175.7° | 169.6° |
| H021 | C02 | C35 | H351 | 168.9° | 169.8° |
| H021 | C02 | O01 | H011 | 65.3° | 60.0° |
| H031 | C03 | C05 | H051 | 150.7° | 176.8° |
| H031 | C03 | O04 | H041 | 55.7° | 60.2° |
| H051 | C05 | C06 | H061 | 69.0° | 64.7° |
| H051 | C05 | C06 | H062 | 168.5° | 55.3° |
| H061 | C06 | O07 | H071 | 61.2° | 60.0° |
| H062 | C06 | O07 | H071 | 61.2° | 60.1° |
| H091 | C09 | C35 | H351 | 62.0° | 62.9° |
| H191 | C19 | O20 | H201 | 59.8° | 61.2° |
| H351 | C35 | N36 | H361 | 153.3° | 145.2° |
| H381 | C38 | C39 | H391 | 179.4° | 180.0° |
| H391 | C39 | C40 | H1 | 0.0° | 0.1° |
| H391 | C39 | C40 | H2 | 120.0° | 120.0° |
| H391 | C39 | C40 | H3 | 120.0° | 120.0° |
| H1 | C40 | H2 | H3 | 120.0° | 120.0° |
