ZJ3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O39 | P12 | doub | 1.48Å | 1.52Å | |
| O38 | P12 | sing | 1.61Å | 1.51Å | |
| P12 | O13 | sing | 1.61Å | 1.58Å | |
| P12 | O11 | sing | 1.61Å | 1.59Å | |
| O13 | C14 | sing | 1.43Å | 1.44Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| O07 | C06 | sing | 1.43Å | 1.44Å | |
| O11 | P10 | sing | 1.61Å | 1.58Å | |
| C06 | C05 | sing | 1.54Å | 1.54Å | |
| C06 | C02 | sing | 1.55Å | 1.53Å | |
| C08 | C05 | sing | 1.53Å | 1.54Å | |
| C08 | O09 | sing | 1.43Å | 1.43Å | |
| C15 | C19 | sing | 1.54Å | 1.54Å | |
| C15 | O16 | sing | 1.44Å | 1.45Å | |
| C05 | O04 | sing | 1.44Å | 1.45Å | |
| O09 | P10 | sing | 1.61Å | 1.58Å | |
| O41 | P10 | doub | 1.48Å | 1.52Å | |
| O20 | C19 | sing | 1.43Å | 1.45Å | |
| P10 | O40 | sing | 1.61Å | 1.52Å | |
| C19 | C18 | sing | 1.55Å | 1.53Å | |
| O16 | C17 | sing | 1.44Å | 1.44Å | |
| C02 | O01 | sing | 1.43Å | 1.44Å | |
| C02 | C03 | sing | 1.54Å | 1.44Å | |
| O04 | C03 | sing | 1.44Å | 1.45Å | |
| C03 | N42 | sing | 1.47Å | 1.44Å | |
| C18 | C17 | sing | 1.55Å | 1.53Å | |
| C18 | O21 | sing | 1.43Å | 1.43Å | |
| C17 | O22 | sing | 1.43Å | 1.44Å | |
| O22 | C23 | sing | 1.36Å | 1.44Å | |
| F29 | C28 | sing | 1.40Å | 1.35Å | |
| C23 | C37 | doub | 1.39Å | 1.41Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.41Å | Aromatic |
| C37 | C36 | sing | 1.39Å | 1.41Å | Aromatic |
| C24 | C25 | doub | 1.36Å | 1.41Å | Aromatic |
| C36 | O34 | sing | 1.35Å | 1.28Å | |
| C36 | C26 | doub | 1.41Å | 1.41Å | Aromatic |
| O34 | C33 | sing | 1.34Å | 1.29Å | |
| C25 | C26 | sing | 1.40Å | 1.41Å | Aromatic |
| C26 | C27 | sing | 1.46Å | 1.41Å | |
| C33 | O35 | doub | 1.22Å | 1.23Å | |
| C33 | C32 | sing | 1.41Å | 1.41Å | |
| C27 | C32 | doub | 1.36Å | 1.40Å | |
| C27 | C28 | sing | 1.51Å | 1.54Å | |
| N42 | C51 | sing | 1.36Å | 1.35Å | Aromatic |
| N42 | C43 | sing | 1.37Å | 1.36Å | Aromatic |
| C28 | F31 | sing | 1.40Å | 1.35Å | |
| C28 | F30 | sing | 1.40Å | 1.34Å | |
| C51 | N50 | doub | 1.30Å | 1.35Å | Aromatic |
| N44 | C43 | doub | 1.33Å | 1.35Å | Aromatic |
| N44 | C45 | sing | 1.32Å | 1.35Å | Aromatic |
| C43 | C49 | sing | 1.40Å | 1.42Å | Aromatic |
| N50 | C49 | sing | 1.35Å | 1.35Å | Aromatic |
| C45 | N46 | doub | 1.32Å | 1.35Å | Aromatic |
| C49 | C47 | doub | 1.41Å | 1.35Å | Aromatic |
| N46 | C47 | sing | 1.33Å | 1.35Å | Aromatic |
| C47 | N48 | sing | 1.38Å | 1.43Å | |
| 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 | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C45 | H451 | sing | 1.08Å | 1.08Å | |
| C51 | H511 | sing | 1.08Å | 1.08Å | |
| N48 | H481 | sing | 0.97Å | 1.00Å | |
| N48 | H482 | sing | 0.97Å | 1.00Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| O07 | H071 | sing | 0.97Å | 0.95Å | |
| O20 | H201 | sing | 0.97Å | 0.95Å | |
| O21 | H211 | sing | 0.97Å | 0.95Å | |
| O38 | H1 | sing | 0.97Å | 0.95Å | |
| O40 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O39 | P12 | O38 | 111.4° | 109.5° |
| O39 | P12 | O13 | 108.4° | 109.5° |
| O39 | P12 | O11 | 113.7° | 109.5° |
| O38 | P12 | O13 | 107.5° | 109.5° |
| O38 | P12 | O11 | 107.8° | 109.5° |
| P12 | O38 | H1 | 109.5° | 114.0° |
| O13 | P12 | O11 | 107.8° | 109.5° |
| P12 | O13 | C14 | 117.8° | 123.0° |
| P12 | O11 | P10 | 125.3° | 134.0° |
| O13 | C14 | C15 | 107.6° | 109.5° |
| O13 | C14 | H141 | 109.9° | 109.5° |
| O13 | C14 | H142 | 109.9° | 109.5° |
| C14 | C15 | C19 | 112.3° | 109.9° |
| C14 | C15 | O16 | 109.8° | 109.9° |
| C15 | C14 | H141 | 109.9° | 109.5° |
| C15 | C14 | H142 | 110.0° | 109.5° |
| C14 | C15 | H151 | 109.0° | 109.8° |
| O07 | C06 | C05 | 106.6° | 110.5° |
| O07 | C06 | C02 | 111.5° | 110.5° |
| O07 | C06 | H061 | 112.2° | 110.5° |
| C06 | O07 | H071 | 109.5° | 114.1° |
| O11 | P10 | O09 | 110.0° | 109.5° |
| O11 | P10 | O41 | 109.8° | 109.5° |
| O11 | P10 | O40 | 109.2° | 109.5° |
| C05 | C06 | C02 | 104.3° | 104.0° |
| C06 | C05 | C08 | 112.7° | 110.5° |
| C06 | C05 | O04 | 103.2° | 104.8° |
| C06 | C05 | H051 | 109.2° | 110.4° |
| C05 | C06 | H061 | 110.8° | 110.5° |
| C06 | C02 | O01 | 110.0° | 110.5° |
| C06 | C02 | C03 | 100.5° | 104.1° |
| C06 | C02 | H021 | 111.0° | 110.6° |
| C02 | C06 | H061 | 111.0° | 110.5° |
| C05 | C08 | O09 | 108.1° | 109.5° |
| C08 | C05 | O04 | 112.1° | 110.4° |
| C08 | C05 | H051 | 109.1° | 110.3° |
| C05 | C08 | H081 | 109.8° | 109.5° |
| C05 | C08 | H082 | 109.8° | 109.5° |
| C08 | O09 | P10 | 118.5° | 123.0° |
| O09 | C08 | H081 | 109.8° | 109.5° |
| O09 | C08 | H082 | 109.8° | 109.5° |
| C19 | C15 | O16 | 106.5° | 107.3° |
| C15 | C19 | O20 | 104.8° | 110.5° |
| C15 | C19 | C18 | 105.5° | 104.2° |
| C19 | C15 | H151 | 109.0° | 109.9° |
| C15 | C19 | H191 | 110.9° | 110.5° |
| C15 | O16 | C17 | 107.1° | 106.9° |
| O16 | C15 | H151 | 110.2° | 110.0° |
| C05 | O04 | C03 | 109.1° | 105.3° |
| O04 | C05 | H051 | 110.4° | 110.3° |
| O09 | P10 | O41 | 107.0° | 109.5° |
| O09 | P10 | O40 | 107.3° | 109.5° |
| O41 | P10 | O40 | 113.6° | 109.4° |
| O20 | C19 | C18 | 111.8° | 110.5° |
| O20 | C19 | H191 | 112.3° | 110.5° |
| C19 | O20 | H201 | 109.5° | 114.0° |
| P10 | O40 | H2 | 109.5° | 114.0° |
| C19 | C18 | C17 | 100.7° | 102.1° |
| C19 | C18 | O21 | 107.2° | 110.9° |
| C19 | C18 | H181 | 110.8° | 111.0° |
| C18 | C19 | H191 | 111.1° | 110.5° |
| O16 | C17 | C18 | 105.5° | 103.5° |
| O16 | C17 | O22 | 111.7° | 110.6° |
| O16 | C17 | H171 | 111.4° | 110.7° |
| O01 | C02 | C03 | 110.1° | 110.6° |
| O01 | C02 | H021 | 112.3° | 110.4° |
| C02 | O01 | H011 | 109.5° | 114.0° |
| C02 | C03 | O04 | 107.8° | 104.8° |
| C02 | C03 | N42 | 114.7° | 110.4° |
| C03 | C02 | H021 | 112.3° | 110.5° |
| C02 | C03 | H031 | 108.3° | 110.4° |
| O04 | C03 | N42 | 109.4° | 110.4° |
| O04 | C03 | H031 | 108.1° | 110.5° |
| C03 | N42 | C51 | 128.0° | 126.3° |
| C03 | N42 | C43 | 124.6° | 126.3° |
| N42 | C03 | H031 | 108.4° | 110.3° |
| C17 | C18 | O21 | 114.5° | 110.9° |
| C18 | C17 | O22 | 106.4° | 110.7° |
| C18 | C17 | H171 | 110.1° | 110.6° |
| C17 | C18 | H181 | 110.8° | 110.9° |
| O21 | C18 | H181 | 112.2° | 110.8° |
| C18 | O21 | H211 | 109.5° | 114.0° |
| C17 | O22 | C23 | 114.2° | 117.0° |
| O22 | C17 | H171 | 111.5° | 110.6° |
| O22 | C23 | C37 | 121.4° | 119.7° |
| O22 | C23 | C24 | 118.4° | 119.7° |
| F29 | C28 | C27 | 108.6° | 109.5° |
| F29 | C28 | F31 | 106.4° | 109.5° |
| F29 | C28 | F30 | 110.0° | 109.5° |
| C37 | C23 | C24 | 120.1° | 120.6° |
| C23 | C37 | C36 | 120.1° | 119.8° |
| C23 | C37 | H371 | 120.0° | 120.1° |
| C23 | C24 | C25 | 119.7° | 120.4° |
| C23 | C24 | H241 | 120.1° | 119.8° |
| C37 | C36 | O34 | 119.7° | 120.7° |
| C37 | C36 | C26 | 119.8° | 119.4° |
| C36 | C37 | H371 | 120.0° | 120.1° |
| C24 | C25 | C26 | 120.2° | 119.8° |
| C25 | C24 | H241 | 120.1° | 119.8° |
| C24 | C25 | H251 | 119.9° | 120.1° |
| O34 | C36 | C26 | 120.5° | 119.9° |
| C36 | O34 | C33 | 123.9° | 121.5° |
| C36 | C26 | C25 | 120.1° | 120.0° |
| C36 | C26 | C27 | 118.8° | 118.9° |
| O34 | C33 | O35 | 118.8° | 119.2° |
| O34 | C33 | C32 | 121.2° | 121.7° |
| C25 | C26 | C27 | 121.0° | 121.0° |
| C26 | C25 | H251 | 119.9° | 120.1° |
| C26 | C27 | C32 | 117.3° | 118.3° |
| C26 | C27 | C28 | 121.7° | 120.9° |
| O35 | C33 | C32 | 120.0° | 119.1° |
| C33 | C32 | C27 | 118.2° | 119.8° |
| C33 | C32 | H321 | 120.9° | 120.1° |
| C32 | C27 | C28 | 121.0° | 120.9° |
| C27 | C32 | H321 | 120.9° | 120.1° |
| C27 | C28 | F31 | 110.5° | 109.5° |
| C27 | C28 | F30 | 110.7° | 109.5° |
| C51 | N42 | C43 | 107.4° | 107.4° |
| N42 | C51 | N50 | 109.8° | 110.0° |
| N42 | C51 | H511 | 125.1° | 125.0° |
| N42 | C43 | N44 | 132.2° | 134.9° |
| N42 | C43 | C49 | 107.8° | 106.0° |
| F31 | C28 | F30 | 110.6° | 109.4° |
| C51 | N50 | C49 | 108.7° | 109.4° |
| N50 | C51 | H511 | 125.1° | 125.0° |
| C43 | N44 | C45 | 120.2° | 120.6° |
| N44 | C43 | C49 | 120.1° | 119.1° |
| N44 | C45 | N46 | 119.7° | 122.4° |
| N44 | C45 | H451 | 120.1° | 118.8° |
| C43 | C49 | N50 | 106.4° | 107.2° |
| C43 | C49 | C47 | 118.4° | 118.2° |
| N50 | C49 | C47 | 135.2° | 134.7° |
| C45 | N46 | C47 | 122.2° | 121.2° |
| N46 | C45 | H451 | 120.2° | 118.8° |
| C49 | C47 | N46 | 119.4° | 118.4° |
| C49 | C47 | N48 | 120.9° | 120.8° |
| N46 | C47 | N48 | 119.7° | 120.8° |
| C47 | N48 | H481 | 109.5° | 120.0° |
| C47 | N48 | H482 | 109.4° | 120.0° |
| H081 | C08 | H082 | 109.4° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H481 | N48 | H482 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O39 | P12 | O38 | O13 | 118.7° | 120.0° |
| O39 | P12 | O38 | O11 | 125.4° | 120.0° |
| O39 | P12 | O13 | O11 | 123.4° | 120.0° |
| O39 | P12 | O13 | C14 | 173.9° | 55.0° |
| O39 | P12 | O11 | P10 | 31.6° | 45.0° |
| O39 | P12 | O38 | H1 | 0.0° | 180.0° |
| O38 | P12 | O13 | O11 | 116.0° | 120.0° |
| O38 | P12 | O13 | C14 | 53.3° | 65.0° |
| O38 | P12 | O11 | P10 | 155.7° | 75.0° |
| P12 | O13 | C14 | C15 | 138.4° | 180.0° |
| O13 | P12 | O11 | P10 | 88.6° | 165.0° |
| P12 | O13 | C14 | H141 | 18.7° | 60.0° |
| P12 | O13 | C14 | H142 | 101.9° | 60.0° |
| O13 | P12 | O38 | H1 | 118.7° | 60.0° |
| O11 | P12 | O13 | C14 | 62.7° | 175.0° |
| P12 | O11 | P10 | O09 | 83.4° | 165.0° |
| P12 | O11 | P10 | O41 | 34.0° | 45.0° |
| P12 | O11 | P10 | O40 | 159.1° | 75.0° |
| O11 | P12 | O38 | H1 | 125.4° | 60.0° |
| O13 | C14 | C15 | H141 | 119.7° | 120.0° |
| O13 | C14 | C15 | H142 | 119.7° | 120.0° |
| O13 | C14 | C15 | C19 | 178.3° | 175.0° |
| O13 | C14 | C15 | O16 | 60.0° | 67.1° |
| O13 | C14 | H141 | H142 | 120.9° | 120.0° |
| O13 | C14 | C15 | H151 | 60.8° | 54.0° |
| C14 | C15 | C19 | O16 | 120.3° | 119.5° |
| C14 | C15 | C19 | H151 | 120.9° | 121.0° |
| C14 | C15 | O16 | H151 | 120.1° | 121.0° |
| C14 | C15 | C19 | O20 | 127.9° | 123.9° |
| C14 | C15 | C19 | C18 | 113.9° | 117.4° |
| C14 | C15 | O16 | C17 | 139.9° | 93.0° |
| C15 | C14 | H141 | H142 | 120.9° | 120.0° |
| C14 | C15 | C19 | H191 | 6.5° | 1.3° |
| O07 | C06 | C05 | C02 | 118.1° | 118.6° |
| O07 | C06 | C05 | H061 | 122.4° | 122.7° |
| O07 | C06 | C02 | H061 | 126.0° | 122.7° |
| O07 | C06 | C05 | C08 | 146.9° | 98.5° |
| O07 | C06 | C05 | O04 | 91.9° | 142.6° |
| O07 | C06 | C02 | O01 | 39.2° | 0.0° |
| O07 | C06 | C02 | C03 | 76.9° | 118.7° |
| O07 | C06 | C02 | H021 | 164.2° | 122.7° |
| O07 | C06 | C05 | H051 | 25.5° | 23.8° |
| O11 | P10 | O09 | C08 | 31.5° | 175.0° |
| O11 | P10 | O09 | O41 | 119.2° | 120.0° |
| O11 | P10 | O09 | O40 | 118.6° | 120.0° |
| O11 | P10 | O41 | O40 | 122.5° | 119.9° |
| O11 | P10 | O40 | H2 | 122.8° | 60.0° |
| C05 | C06 | C02 | H061 | 119.4° | 118.7° |
| C06 | C05 | C08 | O04 | 115.9° | 115.4° |
| C06 | C05 | C08 | H051 | 121.5° | 122.4° |
| C06 | C05 | C08 | O09 | 33.4° | 178.1° |
| C06 | C05 | O04 | H051 | 116.6° | 118.9° |
| C05 | C06 | C02 | O01 | 153.9° | 118.7° |
| C05 | C06 | C02 | C03 | 37.7° | 0.0° |
| C06 | C05 | O04 | C03 | 4.5° | 40.5° |
| C05 | C06 | C02 | H021 | 81.2° | 118.7° |
| C06 | C05 | C08 | H081 | 153.2° | 58.1° |
| C06 | C05 | C08 | H082 | 86.4° | 61.9° |
| C05 | C06 | O07 | H071 | 180.0° | 180.0° |
| C02 | C06 | C05 | C08 | 95.0° | 142.9° |
| C02 | C06 | C05 | O04 | 26.1° | 24.0° |
| C06 | C02 | O01 | C03 | 109.9° | 114.7° |
| C06 | C02 | O01 | H021 | 124.2° | 122.7° |
| C06 | C02 | C03 | H021 | 118.0° | 118.7° |
| C06 | C02 | C03 | O04 | 35.7° | 24.0° |
| C06 | C02 | C03 | N42 | 157.8° | 142.8° |
| C06 | C02 | C03 | H031 | 81.1° | 95.0° |
| C02 | C06 | C05 | H051 | 143.5° | 94.8° |
| C06 | C02 | O01 | H011 | 180.0° | 65.4° |
| C02 | C06 | O07 | H071 | 66.8° | 65.4° |
| C05 | C08 | O09 | H081 | 119.8° | 120.0° |
| C05 | C08 | O09 | H082 | 119.8° | 120.0° |
| C08 | C05 | O04 | H051 | 121.9° | 122.2° |
| C05 | C08 | O09 | P10 | 158.4° | 180.0° |
| C08 | C05 | O04 | C03 | 117.1° | 159.5° |
| C08 | C05 | C06 | H061 | 24.5° | 24.2° |
| C05 | C08 | H081 | H082 | 120.7° | 120.0° |
| O09 | C08 | C05 | O04 | 82.5° | 66.5° |
| C08 | O09 | P10 | O41 | 150.7° | 55.0° |
| C08 | O09 | P10 | O40 | 87.1° | 64.9° |
| O09 | C08 | C05 | H051 | 154.9° | 55.7° |
| O09 | C08 | H081 | H082 | 120.6° | 120.1° |
| C19 | C15 | O16 | H151 | 118.1° | 119.5° |
| C15 | C19 | O20 | C18 | 113.8° | 114.8° |
| C15 | C19 | O20 | H191 | 120.5° | 122.6° |
| C15 | C19 | C18 | H191 | 120.3° | 118.7° |
| C19 | C15 | O16 | C17 | 18.1° | 26.5° |
| C15 | C19 | C18 | C17 | 26.2° | 20.9° |
| C15 | C19 | C18 | O21 | 146.2° | 97.3° |
| C19 | C15 | C14 | H141 | 58.6° | 55.0° |
| C19 | C15 | C14 | H142 | 61.9° | 65.0° |
| C15 | C19 | C18 | H181 | 91.0° | 139.1° |
| C15 | C19 | O20 | H201 | 180.0° | 180.0° |
| O16 | C15 | C19 | O20 | 111.9° | 116.6° |
| O16 | C15 | C19 | C18 | 6.3° | 2.1° |
| C15 | O16 | C17 | C18 | 35.9° | 40.0° |
| C15 | O16 | C17 | O22 | 79.3° | 158.6° |
| O16 | C15 | C14 | H141 | 59.7° | 172.8° |
| O16 | C15 | C14 | H142 | 179.8° | 52.9° |
| C15 | O16 | C17 | H171 | 155.3° | 78.5° |
| O16 | C15 | C19 | H191 | 126.8° | 120.8° |
| C05 | O04 | C03 | C02 | 20.5° | 40.5° |
| C05 | O04 | C03 | N42 | 145.8° | 159.4° |
| C05 | O04 | C03 | H031 | 96.4° | 78.4° |
| O04 | C05 | C06 | H061 | 145.7° | 94.7° |
| O04 | C05 | C08 | H081 | 37.3° | 173.5° |
| O04 | C05 | C08 | H082 | 157.7° | 53.6° |
| O09 | P10 | O41 | O40 | 118.2° | 120.0° |
| P10 | O09 | C08 | H081 | 38.6° | 60.0° |
| P10 | O09 | C08 | H082 | 81.8° | 60.0° |
| O09 | P10 | O40 | H2 | 118.1° | 60.0° |
| O41 | P10 | O40 | H2 | 0.0° | 180.0° |
| O20 | C19 | C18 | H191 | 126.3° | 122.6° |
| O20 | C19 | C18 | C17 | 87.1° | 139.5° |
| O20 | C19 | C18 | O21 | 32.8° | 21.4° |
| O20 | C19 | C15 | H151 | 7.0° | 2.9° |
| O20 | C19 | C18 | H181 | 155.6° | 102.3° |
| C19 | C18 | C17 | O16 | 38.0° | 37.0° |
| C19 | C18 | C17 | O21 | 114.6° | 118.2° |
| C19 | C18 | C17 | H181 | 117.3° | 118.3° |
| C19 | C18 | O21 | H181 | 121.9° | 123.7° |
| C19 | C18 | C17 | O22 | 80.8° | 155.5° |
| C18 | C19 | C15 | H151 | 125.2° | 121.6° |
| C19 | C18 | C17 | H171 | 158.3° | 81.6° |
| C18 | C19 | O20 | H201 | 66.2° | 65.2° |
| C19 | C18 | O21 | H211 | 180.0° | 174.1° |
| O16 | C17 | C18 | O22 | 118.8° | 118.5° |
| O16 | C17 | C18 | H171 | 120.3° | 118.6° |
| O16 | C17 | C18 | O21 | 152.6° | 81.2° |
| O16 | C17 | O22 | H171 | 125.4° | 122.9° |
| O16 | C17 | O22 | C23 | 75.6° | 73.7° |
| C17 | O16 | C15 | H151 | 100.0° | 146.0° |
| O16 | C17 | C18 | H181 | 79.3° | 155.3° |
| O01 | C02 | C03 | H021 | 126.0° | 122.6° |
| O01 | C02 | C03 | O04 | 151.7° | 142.6° |
| O01 | C02 | C03 | N42 | 86.2° | 98.5° |
| O01 | C02 | C03 | H031 | 35.0° | 23.7° |
| O01 | C02 | C06 | H061 | 86.7° | 122.7° |
| C02 | C03 | O04 | N42 | 125.3° | 118.9° |
| C02 | C03 | O04 | H031 | 116.9° | 118.9° |
| C02 | C03 | N42 | H031 | 121.1° | 122.2° |
| C02 | C03 | N42 | C51 | 19.3° | 95.0° |
| C02 | C03 | N42 | C43 | 160.9° | 85.0° |
| C03 | C02 | C06 | H061 | 157.1° | 118.6° |
| C03 | C02 | O01 | H011 | 70.1° | 180.0° |
| O04 | C03 | N42 | H031 | 117.6° | 122.4° |
| O04 | C03 | N42 | C51 | 101.9° | 20.4° |
| O04 | C03 | N42 | C43 | 77.8° | 159.6° |
| O04 | C03 | C02 | H021 | 82.3° | 94.8° |
| C03 | O04 | C05 | H051 | 121.1° | 78.4° |
| C03 | N42 | C51 | C43 | 179.8° | 180.0° |
| C03 | N42 | C51 | N50 | 179.9° | 180.0° |
| C03 | N42 | C43 | N44 | 0.3° | 0.3° |
| C03 | N42 | C43 | C49 | 179.9° | 180.0° |
| N42 | C03 | C02 | H021 | 39.8° | 24.1° |
| C03 | N42 | C51 | H511 | 0.1° | 0.0° |
| C17 | C18 | O21 | H181 | 127.4° | 123.6° |
| C18 | C17 | O22 | H171 | 120.1° | 122.9° |
| C18 | C17 | O22 | C23 | 169.8° | 172.2° |
| C17 | C18 | C19 | H191 | 146.6° | 97.8° |
| C17 | C18 | O21 | H211 | 69.3° | 61.5° |
| O21 | C18 | C17 | O22 | 33.8° | 37.3° |
| O21 | C18 | C17 | H171 | 87.1° | 160.2° |
| O21 | C18 | C19 | H191 | 93.5° | 144.0° |
| C17 | O22 | C23 | C37 | 7.0° | 180.0° |
| C17 | O22 | C23 | C24 | 173.5° | 0.3° |
| O22 | C17 | C18 | H181 | 162.0° | 86.2° |
| O22 | C23 | C37 | C24 | 179.5° | 179.7° |
| O22 | C23 | C37 | C36 | 179.6° | 179.7° |
| O22 | C23 | C24 | C25 | 179.5° | 179.7° |
| C23 | O22 | C17 | H171 | 49.7° | 49.2° |
| O22 | C23 | C24 | H241 | 0.5° | 0.3° |
| O22 | C23 | C37 | H371 | 0.4° | 0.2° |
| F29 | C28 | C27 | C26 | 59.7° | 60.0° |
| F29 | C28 | C27 | C32 | 118.7° | 120.0° |
| F29 | C28 | C27 | F31 | 116.3° | 120.0° |
| F29 | C28 | C27 | F30 | 120.8° | 120.0° |
| F29 | C28 | F31 | F30 | 119.4° | 120.0° |
| C23 | C37 | C36 | H371 | 180.0° | 179.9° |
| C37 | C23 | C24 | C25 | 0.0° | 0.0° |
| C23 | C37 | C36 | O34 | 179.7° | 180.0° |
| C23 | C37 | C36 | C26 | 0.2° | 0.0° |
| C37 | C23 | C24 | H241 | 180.0° | 180.0° |
| C24 | C23 | C37 | C36 | 0.1° | 0.0° |
| C23 | C24 | C25 | H241 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.0° | 0.0° |
| C23 | C24 | C25 | H251 | 180.0° | 180.0° |
| C24 | C23 | C37 | H371 | 179.9° | 179.9° |
| C37 | C36 | O34 | C26 | 179.9° | 180.0° |
| C37 | C36 | O34 | C33 | 179.6° | 180.0° |
| C37 | C36 | C26 | C25 | 0.2° | 0.1° |
| C37 | C36 | C26 | C27 | 179.8° | 180.0° |
| C24 | C25 | C26 | C36 | 0.1° | 0.0° |
| C24 | C25 | C26 | H251 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 179.7° | 180.0° |
| O34 | C36 | C26 | C25 | 179.8° | 180.0° |
| O34 | C36 | C26 | C27 | 0.1° | 0.0° |
| C36 | O34 | C33 | O35 | 177.5° | 180.0° |
| C36 | O34 | C33 | C32 | 1.0° | 0.0° |
| O34 | C36 | C37 | H371 | 0.3° | 0.1° |
| C26 | C36 | O34 | C33 | 0.4° | 0.0° |
| C36 | C26 | C25 | C27 | 179.7° | 180.0° |
| C36 | C26 | C27 | C32 | 0.4° | 0.0° |
| C36 | C26 | C27 | C28 | 178.9° | 180.0° |
| C36 | C26 | C25 | H251 | 179.9° | 180.0° |
| C26 | C36 | C37 | H371 | 179.8° | 180.0° |
| O34 | C33 | O35 | C32 | 178.5° | 180.0° |
| O34 | C33 | C32 | C27 | 1.2° | 0.0° |
| O34 | C33 | C32 | H321 | 178.7° | 180.0° |
| C25 | C26 | C27 | C32 | 179.9° | 180.0° |
| C25 | C26 | C27 | C28 | 1.4° | 0.0° |
| C26 | C25 | C24 | H241 | 180.0° | 180.0° |
| C26 | C27 | C32 | C33 | 0.9° | 0.0° |
| C26 | C27 | C32 | C28 | 178.5° | 180.0° |
| C26 | C27 | C28 | F31 | 176.0° | 180.0° |
| C26 | C27 | C28 | F30 | 61.1° | 60.0° |
| C27 | C26 | C25 | H251 | 0.2° | 0.0° |
| C26 | C27 | C32 | H321 | 179.0° | 180.0° |
| O35 | C33 | C32 | C27 | 177.2° | 179.9° |
| O35 | C33 | C32 | H321 | 2.8° | 0.0° |
| C33 | C32 | C27 | H321 | 180.0° | 179.9° |
| C33 | C32 | C27 | C28 | 179.4° | 180.0° |
| C32 | C27 | C28 | F31 | 2.5° | 0.0° |
| C32 | C27 | C28 | F30 | 120.5° | 119.9° |
| C27 | C28 | F31 | F30 | 123.0° | 120.0° |
| C28 | C27 | C32 | H321 | 0.5° | 0.1° |
| N42 | C51 | N50 | H511 | 180.0° | 180.0° |
| C51 | N42 | C43 | N44 | 179.5° | 179.7° |
| C51 | N42 | C43 | C49 | 0.1° | 0.0° |
| N42 | C51 | N50 | C49 | 0.1° | 0.0° |
| C51 | N42 | C03 | H031 | 140.4° | 142.7° |
| C43 | N42 | C51 | N50 | 0.1° | 0.0° |
| N42 | C43 | N44 | C49 | 179.6° | 179.7° |
| N42 | C43 | N44 | C45 | 179.6° | 179.7° |
| N42 | C43 | C49 | N50 | 0.0° | 0.0° |
| N42 | C43 | C49 | C47 | 179.9° | 180.0° |
| C43 | N42 | C03 | H031 | 39.8° | 37.2° |
| C43 | N42 | C51 | H511 | 179.9° | 180.0° |
| C51 | N50 | C49 | C43 | 0.0° | 0.0° |
| C51 | N50 | C49 | C47 | 179.8° | 180.0° |
| N44 | C43 | C49 | N50 | 179.6° | 179.8° |
| C43 | N44 | C45 | N46 | 0.8° | 0.0° |
| N44 | C43 | C49 | C47 | 0.2° | 0.2° |
| C43 | N44 | C45 | H451 | 179.2° | 179.8° |
| C45 | N44 | C43 | C49 | 0.8° | 0.0° |
| N44 | C45 | N46 | H451 | 180.0° | 179.8° |
| N44 | C45 | N46 | C47 | 0.3° | 0.2° |
| C43 | C49 | N50 | C47 | 179.8° | 180.0° |
| C43 | C49 | C47 | N46 | 0.3° | 0.4° |
| C43 | C49 | C47 | N48 | 179.7° | 180.0° |
| N50 | C49 | C47 | N46 | 179.9° | 179.6° |
| N50 | C49 | C47 | N48 | 0.6° | 0.0° |
| C49 | N50 | C51 | H511 | 179.9° | 179.9° |
| C45 | N46 | C47 | C49 | 0.3° | 0.4° |
| C45 | N46 | C47 | N48 | 179.7° | 180.0° |
| C49 | C47 | N46 | N48 | 179.3° | 179.5° |
| C49 | C47 | N48 | H481 | 179.3° | 0.0° |
| C49 | C47 | N48 | H482 | 60.7° | 180.0° |
| C47 | N46 | C45 | H451 | 179.8° | 180.0° |
| N46 | C47 | N48 | H481 | 0.0° | 179.5° |
| N46 | C47 | N48 | H482 | 120.0° | 0.5° |
| C47 | N48 | H481 | H482 | 120.0° | 180.0° |
| H021 | C02 | C03 | H031 | 161.0° | 146.3° |
| H021 | C02 | C06 | H061 | 38.2° | 0.0° |
| H021 | C02 | O01 | H011 | 55.8° | 57.3° |
| H051 | C05 | C06 | H061 | 96.9° | 146.5° |
| H051 | C05 | C08 | H081 | 85.3° | 64.3° |
| H051 | C05 | C08 | H082 | 35.1° | 175.8° |
| H061 | C06 | O07 | H071 | 58.5° | 57.3° |
| H141 | C14 | C15 | H151 | 179.5° | 66.1° |
| H142 | C14 | C15 | H151 | 58.9° | 174.0° |
| H151 | C15 | C19 | H191 | 114.4° | 119.7° |
| H171 | C17 | C18 | H181 | 41.0° | 36.7° |
| H181 | C18 | C19 | H191 | 29.3° | 20.4° |
| H181 | C18 | O21 | H211 | 58.1° | 62.2° |
| H191 | C19 | O20 | H201 | 59.5° | 57.4° |
| H241 | C24 | C25 | H251 | 0.0° | 0.0° |
