S0N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C01 | H01A | sing | 1.09Å | 1.10Å | |
| C01 | H01B | sing | 1.09Å | 1.10Å | |
| C04 | C02 | sing | 1.53Å | 1.55Å | |
| C36 | C02 | sing | 1.53Å | 1.61Å | |
| C02 | C03 | sing | 1.53Å | 1.54Å | |
| C03 | H03 | sing | 1.09Å | 1.10Å | |
| C03 | H03A | sing | 1.09Å | 1.10Å | |
| C03 | H03B | sing | 1.09Å | 1.10Å | |
| O05 | C04 | sing | 1.43Å | 1.43Å | |
| C04 | H04 | sing | 1.09Å | 1.10Å | |
| C04 | H04A | sing | 1.09Å | 1.10Å | |
| P06 | O05 | sing | 1.61Å | 1.61Å | |
| O08 | P06 | doub | 1.48Å | 1.51Å | |
| O07 | P06 | sing | 1.61Å | 1.49Å | |
| O09 | P06 | sing | 1.61Å | 1.61Å | |
| O07 | HO07 | sing | 0.97Å | 0.95Å | |
| P10 | O09 | sing | 1.61Å | 1.57Å | |
| O11 | P10 | doub | 1.48Å | 1.54Å | |
| P10 | O13 | sing | 1.61Å | 1.53Å | |
| P10 | O12 | sing | 1.61Å | 1.54Å | |
| O12 | HO12 | sing | 0.97Å | 0.95Å | |
| C14 | O13 | sing | 1.43Å | 1.43Å | |
| C14 | C15 | sing | 1.53Å | 1.57Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | C30 | sing | 1.54Å | 1.55Å | |
| C15 | O16 | sing | 1.44Å | 1.48Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| O16 | C17 | sing | 1.44Å | 1.47Å | |
| C28 | C17 | sing | 1.55Å | 1.52Å | |
| C17 | N18 | sing | 1.46Å | 1.49Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| N18 | C19 | sing | 1.36Å | 1.36Å | Aromatic |
| N18 | C27 | sing | 1.37Å | 1.41Å | Aromatic |
| C19 | N20 | doub | 1.30Å | 1.40Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| N20 | C21 | sing | 1.35Å | 1.40Å | Aromatic |
| C27 | C21 | doub | 1.40Å | 1.36Å | Aromatic |
| C21 | C22 | sing | 1.41Å | 1.42Å | Aromatic |
| C22 | N24 | doub | 1.33Å | 1.36Å | Aromatic |
| C22 | N23 | sing | 1.38Å | 1.46Å | |
| N23 | HN23 | sing | 0.97Å | 1.00Å | |
| N23 | HN2A | sing | 0.97Å | 1.00Å | |
| C25 | N24 | sing | 1.32Å | 1.36Å | Aromatic |
| N26 | C25 | doub | 1.32Å | 1.42Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | N26 | sing | 1.33Å | 1.36Å | Aromatic |
| C30 | C28 | sing | 1.55Å | 1.53Å | |
| C28 | O29 | sing | 1.43Å | 1.47Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| O29 | HO29 | sing | 0.97Å | 0.95Å | |
| O31 | C30 | sing | 1.43Å | 1.44Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| P32 | O31 | sing | 1.61Å | 1.59Å | |
| O35 | P32 | doub | 1.48Å | 1.54Å | |
| O33 | P32 | sing | 1.61Å | 1.54Å | |
| P32 | O34 | sing | 1.61Å | 1.55Å | |
| O33 | HO33 | sing | 0.97Å | 0.95Å | |
| O34 | HO34 | sing | 0.97Å | 0.95Å | |
| O37 | C36 | sing | 1.43Å | 1.40Å | |
| C36 | C38 | sing | 1.51Å | 1.53Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| O37 | HO37 | sing | 0.97Å | 0.95Å | |
| C38 | N40 | sing | 1.35Å | 1.46Å | |
| C38 | O39 | doub | 1.21Å | 1.19Å | |
| N40 | C41 | sing | 1.47Å | 1.44Å | |
| N40 | HN40 | sing | 0.97Å | 1.00Å | |
| C41 | C42 | sing | 1.53Å | 1.52Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C42 | C43 | sing | 1.51Å | 1.56Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C42 | H42A | sing | 1.09Å | 1.10Å | |
| C43 | O44 | doub | 1.21Å | 1.19Å | |
| C43 | N45 | sing | 1.35Å | 1.46Å | |
| N45 | C46 | sing | 1.47Å | 1.49Å | |
| N45 | HN45 | sing | 0.97Å | 1.00Å | |
| C46 | C47 | sing | 1.53Å | 1.55Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C46 | H46A | sing | 1.09Å | 1.10Å | |
| C47 | N48 | sing | 1.46Å | 1.47Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C47 | H47A | sing | 1.09Å | 1.10Å | |
| N48 | C49 | sing | 1.35Å | 1.46Å | |
| N48 | HN48 | sing | 0.97Å | 1.00Å | |
| O50 | C49 | doub | 1.21Å | 1.19Å | |
| C49 | C51 | sing | 1.51Å | 1.57Å | |
| C51 | C52 | sing | 1.53Å | 1.55Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C51 | H51A | sing | 1.09Å | 1.10Å | |
| C52 | C53 | sing | 1.51Å | 1.57Å | |
| C52 | H52 | sing | 1.09Å | 1.10Å | |
| C52 | H52A | sing | 1.09Å | 1.10Å | |
| C53 | O54 | doub | 1.21Å | 1.20Å | |
| C53 | C55 | sing | 1.47Å | 1.51Å | |
| C60 | C55 | doub | 1.41Å | 1.45Å | Aromatic |
| C55 | C56 | sing | 1.39Å | 1.43Å | Aromatic |
| C56 | C57 | doub | 1.38Å | 1.41Å | Aromatic |
| C56 | H56 | sing | 1.08Å | 1.08Å | |
| C58 | C57 | sing | 1.38Å | 1.45Å | Aromatic |
| C57 | H57 | sing | 1.08Å | 1.08Å | |
| C59 | C58 | doub | 1.38Å | 1.43Å | Aromatic |
| C58 | H58 | sing | 1.08Å | 1.08Å | |
| C60 | C59 | sing | 1.39Å | 1.41Å | Aromatic |
| C59 | H59 | sing | 1.08Å | 1.08Å | |
| C61 | C60 | sing | 1.48Å | 1.53Å | |
| O62 | C61 | doub | 1.22Å | 1.25Å | |
| O63 | C61 | sing | 1.35Å | 1.25Å | |
| O63 | HO63 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | H01 | 109.5° | 109.5° |
| C02 | C01 | H01A | 109.5° | 109.5° |
| C02 | C01 | H01B | 109.5° | 109.4° |
| C01 | C02 | C04 | 107.3° | 109.5° |
| C01 | C02 | C36 | 118.0° | 109.4° |
| C01 | C02 | C03 | 108.9° | 109.5° |
| H01 | C01 | H01A | 109.5° | 109.5° |
| H01 | C01 | H01B | 109.5° | 109.4° |
| H01A | C01 | H01B | 109.4° | 109.5° |
| C04 | C02 | C36 | 107.6° | 109.5° |
| C04 | C02 | C03 | 104.0° | 109.5° |
| C02 | C04 | O05 | 105.3° | 109.4° |
| C02 | C04 | H04 | 110.8° | 109.5° |
| C02 | C04 | H04A | 110.9° | 109.5° |
| C36 | C02 | C03 | 110.0° | 109.5° |
| C02 | C36 | O37 | 108.1° | 109.4° |
| C02 | C36 | C38 | 108.3° | 109.5° |
| C02 | C36 | H36 | 111.3° | 109.5° |
| C02 | C03 | H03 | 109.5° | 109.5° |
| C02 | C03 | H03A | 109.5° | 109.5° |
| C02 | C03 | H03B | 109.5° | 109.5° |
| H03 | C03 | H03A | 109.5° | 109.5° |
| H03 | C03 | H03B | 109.5° | 109.5° |
| H03A | C03 | H03B | 109.5° | 109.4° |
| O05 | C04 | H04 | 110.9° | 109.5° |
| O05 | C04 | H04A | 110.9° | 109.4° |
| C04 | O05 | P06 | 118.9° | 123.0° |
| H04 | C04 | H04A | 108.1° | 109.5° |
| O05 | P06 | O08 | 109.8° | 109.5° |
| O05 | P06 | O07 | 111.2° | 109.5° |
| O05 | P06 | O09 | 101.9° | 109.5° |
| O08 | P06 | O07 | 111.5° | 109.4° |
| O08 | P06 | O09 | 115.4° | 109.5° |
| O07 | P06 | O09 | 106.7° | 109.5° |
| P06 | O07 | HO07 | 109.5° | 114.0° |
| P06 | O09 | P10 | 124.9° | 134.0° |
| O09 | P10 | O11 | 112.1° | 109.5° |
| O09 | P10 | O13 | 102.2° | 109.5° |
| O09 | P10 | O12 | 111.1° | 109.4° |
| O11 | P10 | O13 | 112.6° | 109.5° |
| O11 | P10 | O12 | 111.2° | 109.5° |
| O13 | P10 | O12 | 107.3° | 109.5° |
| P10 | O13 | C14 | 124.2° | 123.0° |
| P10 | O12 | HO12 | 109.5° | 114.0° |
| O13 | C14 | C15 | 112.1° | 109.4° |
| O13 | C14 | H14 | 108.6° | 109.5° |
| O13 | C14 | H14A | 108.6° | 109.5° |
| C15 | C14 | H14 | 108.6° | 109.5° |
| C15 | C14 | H14A | 108.6° | 109.4° |
| C14 | C15 | C30 | 110.3° | 110.3° |
| C14 | C15 | O16 | 107.8° | 110.4° |
| C14 | C15 | H15 | 108.5° | 110.4° |
| H14 | C14 | H14A | 110.3° | 109.5° |
| C30 | C15 | O16 | 104.4° | 104.8° |
| C30 | C15 | H15 | 111.7° | 110.4° |
| C15 | C30 | C28 | 103.7° | 104.1° |
| C15 | C30 | O31 | 109.2° | 110.5° |
| C15 | C30 | H30 | 112.8° | 110.5° |
| O16 | C15 | H15 | 114.0° | 110.5° |
| C15 | O16 | C17 | 107.1° | 105.2° |
| O16 | C17 | C28 | 107.7° | 104.8° |
| O16 | C17 | N18 | 104.9° | 110.4° |
| O16 | C17 | H17 | 116.6° | 110.4° |
| C28 | C17 | N18 | 117.4° | 110.4° |
| C28 | C17 | H17 | 104.0° | 110.4° |
| C17 | C28 | C30 | 98.3° | 104.1° |
| C17 | C28 | O29 | 107.8° | 110.5° |
| C17 | C28 | H28 | 118.6° | 110.6° |
| N18 | C17 | H17 | 106.8° | 110.3° |
| C17 | N18 | C19 | 126.9° | 126.3° |
| C17 | N18 | C27 | 124.3° | 126.3° |
| C19 | N18 | C27 | 108.7° | 107.4° |
| N18 | C19 | N20 | 107.5° | 110.0° |
| N18 | C19 | H19 | 126.2° | 125.0° |
| N18 | C27 | C21 | 107.8° | 106.0° |
| N18 | C27 | N26 | 131.5° | 134.9° |
| N20 | C19 | H19 | 126.3° | 125.0° |
| C19 | N20 | C21 | 107.8° | 109.4° |
| N20 | C21 | C27 | 108.2° | 107.2° |
| N20 | C21 | C22 | 132.7° | 134.7° |
| C27 | C21 | C22 | 119.1° | 118.2° |
| C21 | C27 | N26 | 120.8° | 119.1° |
| C21 | C22 | N24 | 120.3° | 118.4° |
| C21 | C22 | N23 | 120.6° | 120.7° |
| N24 | C22 | N23 | 119.1° | 120.8° |
| C22 | N24 | C25 | 120.4° | 121.2° |
| C22 | N23 | HN23 | 109.5° | 120.0° |
| C22 | N23 | HN2A | 109.5° | 120.0° |
| HN23 | N23 | HN2A | 109.5° | 120.0° |
| N24 | C25 | N26 | 119.5° | 122.5° |
| N24 | C25 | H25 | 120.3° | 118.7° |
| N26 | C25 | H25 | 120.3° | 118.8° |
| C25 | N26 | C27 | 120.0° | 120.7° |
| C30 | C28 | O29 | 113.0° | 110.5° |
| C30 | C28 | H28 | 113.9° | 110.7° |
| C28 | C30 | O31 | 107.8° | 110.6° |
| C28 | C30 | H30 | 114.0° | 110.4° |
| O29 | C28 | H28 | 105.4° | 110.4° |
| C28 | O29 | HO29 | 109.5° | 114.0° |
| O31 | C30 | H30 | 109.0° | 110.6° |
| C30 | O31 | P32 | 122.3° | 123.0° |
| O31 | P32 | O35 | 106.0° | 109.5° |
| O31 | P32 | O33 | 112.7° | 109.5° |
| O31 | P32 | O34 | 107.8° | 109.5° |
| O35 | P32 | O33 | 111.8° | 109.5° |
| O35 | P32 | O34 | 109.1° | 109.4° |
| O33 | P32 | O34 | 109.2° | 109.5° |
| P32 | O33 | HO33 | 109.5° | 114.0° |
| P32 | O34 | HO34 | 109.5° | 114.0° |
| O37 | C36 | C38 | 109.9° | 109.5° |
| O37 | C36 | H36 | 109.7° | 109.4° |
| C36 | O37 | HO37 | 109.5° | 114.0° |
| C38 | C36 | H36 | 109.5° | 109.5° |
| C36 | C38 | N40 | 119.5° | 120.0° |
| C36 | C38 | O39 | 119.5° | 120.0° |
| N40 | C38 | O39 | 121.0° | 120.0° |
| C38 | N40 | C41 | 121.1° | 120.0° |
| C38 | N40 | HN40 | 119.5° | 120.0° |
| C41 | N40 | HN40 | 119.5° | 120.0° |
| N40 | C41 | C42 | 111.3° | 109.5° |
| N40 | C41 | H41 | 108.9° | 109.5° |
| N40 | C41 | H41A | 108.9° | 109.5° |
| C42 | C41 | H41 | 108.9° | 109.5° |
| C42 | C41 | H41A | 108.9° | 109.5° |
| C41 | C42 | C43 | 97.2° | 109.5° |
| C41 | C42 | H42 | 113.8° | 109.5° |
| C41 | C42 | H42A | 113.8° | 109.5° |
| H41 | C41 | H41A | 110.1° | 109.5° |
| C43 | C42 | H42 | 113.8° | 109.5° |
| C43 | C42 | H42A | 113.8° | 109.5° |
| C42 | C43 | O44 | 120.2° | 120.0° |
| C42 | C43 | N45 | 119.1° | 120.0° |
| H42 | C42 | H42A | 104.8° | 109.5° |
| O44 | C43 | N45 | 120.7° | 120.0° |
| C43 | N45 | C46 | 120.9° | 120.0° |
| C43 | N45 | HN45 | 119.5° | 120.0° |
| C46 | N45 | HN45 | 119.5° | 120.0° |
| N45 | C46 | C47 | 108.2° | 109.5° |
| N45 | C46 | H46 | 109.9° | 109.5° |
| N45 | C46 | H46A | 109.9° | 109.5° |
| C47 | C46 | H46 | 109.9° | 109.4° |
| C47 | C46 | H46A | 109.9° | 109.5° |
| C46 | C47 | N48 | 106.5° | 109.5° |
| C46 | C47 | H47 | 110.5° | 109.5° |
| C46 | C47 | H47A | 110.5° | 109.5° |
| H46 | C46 | H46A | 109.1° | 109.5° |
| N48 | C47 | H47 | 110.5° | 109.5° |
| N48 | C47 | H47A | 110.5° | 109.5° |
| C47 | N48 | C49 | 119.9° | 120.0° |
| C47 | N48 | HN48 | 120.0° | 120.0° |
| H47 | C47 | H47A | 108.4° | 109.5° |
| C49 | N48 | HN48 | 120.0° | 120.0° |
| N48 | C49 | O50 | 120.1° | 120.0° |
| N48 | C49 | C51 | 119.2° | 120.0° |
| O50 | C49 | C51 | 120.7° | 120.0° |
| C49 | C51 | C52 | 107.4° | 109.5° |
| C49 | C51 | H51 | 110.1° | 109.4° |
| C49 | C51 | H51A | 110.2° | 109.5° |
| C52 | C51 | H51 | 110.2° | 109.4° |
| C52 | C51 | H51A | 110.1° | 109.5° |
| C51 | C52 | C53 | 100.5° | 109.5° |
| C51 | C52 | H52 | 112.6° | 109.5° |
| C51 | C52 | H52A | 112.6° | 109.5° |
| H51 | C51 | H51A | 108.8° | 109.5° |
| C53 | C52 | H52 | 112.6° | 109.4° |
| C53 | C52 | H52A | 112.6° | 109.4° |
| C52 | C53 | O54 | 120.6° | 119.9° |
| C52 | C53 | C55 | 121.2° | 120.0° |
| H52 | C52 | H52A | 106.2° | 109.4° |
| O54 | C53 | C55 | 118.1° | 120.1° |
| C53 | C55 | C60 | 122.1° | 120.2° |
| C53 | C55 | C56 | 117.6° | 120.2° |
| C60 | C55 | C56 | 120.4° | 119.6° |
| C55 | C60 | C59 | 119.9° | 119.6° |
| C55 | C60 | C61 | 121.8° | 120.2° |
| C55 | C56 | C57 | 119.5° | 120.0° |
| C55 | C56 | H56 | 120.3° | 120.0° |
| C57 | C56 | H56 | 120.2° | 120.0° |
| C56 | C57 | C58 | 120.2° | 120.4° |
| C56 | C57 | H57 | 119.9° | 119.8° |
| C58 | C57 | H57 | 119.9° | 119.8° |
| C57 | C58 | C59 | 120.2° | 120.4° |
| C57 | C58 | H58 | 119.9° | 119.7° |
| C59 | C58 | H58 | 119.9° | 119.8° |
| C58 | C59 | C60 | 119.8° | 120.0° |
| C58 | C59 | H59 | 120.1° | 120.0° |
| C60 | C59 | H59 | 120.1° | 119.9° |
| C59 | C60 | C61 | 118.2° | 120.2° |
| C60 | C61 | O62 | 121.2° | 120.0° |
| C60 | C61 | O63 | 118.5° | 120.0° |
| O62 | C61 | O63 | 120.3° | 120.0° |
| C61 | O63 | HO63 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | H01 | H01A | 120.0° | 120.1° |
| C02 | C01 | H01 | H01B | 120.0° | 119.9° |
| C02 | C01 | H01A | H01B | 120.0° | 120.0° |
| C01 | C02 | C04 | C36 | 128.0° | 120.0° |
| C01 | C02 | C04 | C03 | 115.4° | 120.0° |
| C01 | C02 | C36 | C03 | 125.8° | 120.0° |
| C01 | C02 | C03 | H03 | 180.0° | 64.9° |
| C01 | C02 | C03 | H03A | 60.0° | 175.1° |
| C01 | C02 | C03 | H03B | 60.0° | 55.1° |
| C01 | C02 | C04 | O05 | 76.0° | 60.0° |
| C01 | C02 | C04 | H04 | 44.0° | 60.0° |
| C01 | C02 | C04 | H04A | 164.0° | 180.0° |
| C01 | C02 | C36 | O37 | 169.8° | 175.9° |
| C01 | C02 | C36 | C38 | 71.2° | 55.8° |
| C01 | C02 | C36 | H36 | 49.3° | 64.2° |
| H01 | C01 | H01A | H01B | 120.0° | 120.0° |
| H01 | C01 | C02 | C04 | 180.0° | 179.7° |
| H01 | C01 | C02 | C36 | 58.4° | 59.7° |
| H01 | C01 | C02 | C03 | 67.9° | 60.3° |
| H01A | C01 | C02 | C04 | 60.0° | 59.6° |
| H01A | C01 | C02 | C36 | 178.4° | 60.4° |
| H01A | C01 | C02 | C03 | 52.1° | 179.7° |
| H01B | C01 | C02 | C04 | 60.0° | 60.4° |
| H01B | C01 | C02 | C36 | 61.6° | 179.6° |
| H01B | C01 | C02 | C03 | 172.1° | 59.7° |
| C04 | C02 | C36 | C03 | 112.7° | 120.0° |
| C04 | C02 | C03 | H03 | 65.8° | 55.1° |
| C04 | C02 | C03 | H03A | 54.2° | 64.9° |
| C04 | C02 | C03 | H03B | 174.2° | 175.2° |
| C02 | C04 | O05 | H04 | 120.0° | 120.0° |
| C02 | C04 | O05 | H04A | 120.0° | 120.0° |
| C02 | C04 | H04 | H04A | 121.7° | 120.1° |
| C02 | C04 | O05 | P06 | 165.2° | 180.0° |
| C04 | C02 | C36 | O37 | 48.3° | 55.9° |
| C04 | C02 | C36 | C38 | 167.3° | 64.2° |
| C04 | C02 | C36 | H36 | 72.2° | 175.8° |
| C36 | C02 | C03 | H03 | 49.2° | 175.1° |
| C36 | C02 | C03 | H03A | 169.2° | 55.1° |
| C36 | C02 | C03 | H03B | 70.8° | 64.8° |
| C36 | C02 | C04 | O05 | 52.0° | 180.0° |
| C36 | C02 | C04 | H04 | 172.0° | 60.0° |
| C36 | C02 | C04 | H04A | 68.0° | 60.1° |
| C02 | C36 | O37 | C38 | 118.0° | 120.0° |
| C02 | C36 | O37 | H36 | 121.5° | 120.0° |
| C02 | C36 | C38 | H36 | 121.5° | 120.0° |
| C02 | C36 | O37 | HO37 | 180.0° | 60.1° |
| C02 | C36 | C38 | N40 | 105.7° | 70.2° |
| C02 | C36 | C38 | O39 | 74.0° | 109.7° |
| C02 | C03 | H03 | H03A | 120.0° | 120.0° |
| C02 | C03 | H03 | H03B | 120.0° | 120.1° |
| C02 | C03 | H03A | H03B | 120.0° | 120.0° |
| C03 | C02 | C04 | O05 | 168.6° | 60.0° |
| C03 | C02 | C04 | H04 | 71.3° | 180.0° |
| C03 | C02 | C04 | H04A | 48.7° | 59.9° |
| C03 | C02 | C36 | O37 | 64.4° | 64.2° |
| C03 | C02 | C36 | C38 | 54.6° | 175.8° |
| C03 | C02 | C36 | H36 | 175.1° | 55.8° |
| H03 | C03 | H03A | H03B | 120.0° | 120.0° |
| O05 | C04 | H04 | H04A | 121.7° | 120.0° |
| C04 | O05 | P06 | O08 | 165.0° | 55.0° |
| C04 | O05 | P06 | O07 | 41.1° | 65.0° |
| C04 | O05 | P06 | O09 | 72.2° | 175.0° |
| H04 | C04 | O05 | P06 | 74.8° | 60.0° |
| H04A | C04 | O05 | P06 | 45.2° | 60.0° |
| O05 | P06 | O08 | O07 | 123.7° | 120.0° |
| O05 | P06 | O08 | O09 | 114.4° | 120.0° |
| O05 | P06 | O07 | O09 | 110.3° | 120.0° |
| O05 | P06 | O07 | HO07 | 122.8° | 60.0° |
| O05 | P06 | O09 | P10 | 82.4° | 165.0° |
| O08 | P06 | O07 | O09 | 126.8° | 120.0° |
| O08 | P06 | O07 | HO07 | 0.0° | 180.0° |
| O08 | P06 | O09 | P10 | 36.4° | 45.0° |
| O07 | P06 | O09 | P10 | 160.9° | 74.9° |
| O09 | P06 | O07 | HO07 | 126.8° | 60.0° |
| P06 | O09 | P10 | O11 | 79.0° | 44.9° |
| P06 | O09 | P10 | O13 | 160.2° | 165.0° |
| P06 | O09 | P10 | O12 | 46.0° | 75.0° |
| O09 | P10 | O11 | O13 | 114.5° | 120.0° |
| O09 | P10 | O11 | O12 | 125.1° | 120.0° |
| O09 | P10 | O13 | O12 | 116.9° | 120.0° |
| O09 | P10 | O12 | HO12 | 125.6° | 60.0° |
| O09 | P10 | O13 | C14 | 63.0° | 175.0° |
| O11 | P10 | O13 | O12 | 122.6° | 120.0° |
| O11 | P10 | O12 | HO12 | 0.0° | 180.0° |
| O11 | P10 | O13 | C14 | 57.5° | 55.0° |
| O13 | P10 | O12 | HO12 | 123.5° | 60.0° |
| P10 | O13 | C14 | C15 | 153.0° | 180.0° |
| P10 | O13 | C14 | H14 | 33.1° | 60.0° |
| P10 | O13 | C14 | H14A | 86.9° | 60.0° |
| O12 | P10 | O13 | C14 | 179.9° | 65.0° |
| O13 | C14 | C15 | H14 | 120.0° | 120.0° |
| O13 | C14 | C15 | H14A | 120.0° | 120.0° |
| O13 | C14 | H14 | H14A | 118.9° | 120.0° |
| O13 | C14 | C15 | C30 | 39.6° | 175.0° |
| O13 | C14 | C15 | O16 | 73.9° | 69.6° |
| O13 | C14 | C15 | H15 | 162.2° | 52.8° |
| C15 | C14 | H14 | H14A | 118.9° | 120.0° |
| C14 | C15 | C30 | O16 | 115.6° | 118.8° |
| C14 | C15 | C30 | H15 | 120.7° | 122.2° |
| C14 | C15 | O16 | H15 | 120.5° | 122.3° |
| C14 | C15 | O16 | C17 | 110.7° | 159.3° |
| C14 | C15 | C30 | C28 | 84.4° | 142.8° |
| C14 | C15 | C30 | O31 | 160.8° | 98.5° |
| C14 | C15 | C30 | H30 | 39.4° | 24.2° |
| H14 | C14 | C15 | C30 | 80.4° | 65.0° |
| H14 | C14 | C15 | O16 | 166.1° | 50.4° |
| H14 | C14 | C15 | H15 | 42.2° | 172.8° |
| H14A | C14 | C15 | C30 | 159.6° | 55.0° |
| H14A | C14 | C15 | O16 | 46.1° | 170.4° |
| H14A | C14 | C15 | H15 | 77.8° | 67.2° |
| C30 | C15 | O16 | H15 | 122.1° | 118.9° |
| C30 | C15 | O16 | C17 | 6.7° | 40.5° |
| C15 | C30 | C28 | C17 | 41.8° | 0.1° |
| C15 | C30 | C28 | O31 | 115.7° | 118.7° |
| C15 | C30 | C28 | H30 | 123.1° | 118.6° |
| C15 | C30 | C28 | O29 | 155.2° | 118.7° |
| C15 | C30 | C28 | H28 | 84.7° | 118.7° |
| C15 | C30 | O31 | H30 | 123.6° | 122.7° |
| C15 | C30 | O31 | P32 | 147.8° | 120.0° |
| C15 | O16 | C17 | C28 | 20.9° | 40.5° |
| C15 | O16 | C17 | N18 | 146.7° | 159.4° |
| C15 | O16 | C17 | H17 | 95.5° | 78.4° |
| O16 | C15 | C30 | C28 | 31.2° | 23.9° |
| O16 | C15 | C30 | O31 | 83.5° | 142.6° |
| O16 | C15 | C30 | H30 | 155.1° | 94.6° |
| H15 | C15 | O16 | C17 | 128.8° | 78.4° |
| H15 | C15 | C30 | C28 | 154.8° | 95.0° |
| H15 | C15 | C30 | O31 | 40.1° | 23.7° |
| H15 | C15 | C30 | H30 | 81.3° | 146.4° |
| O16 | C17 | C28 | N18 | 118.0° | 118.8° |
| O16 | C17 | C28 | H17 | 124.3° | 118.9° |
| O16 | C17 | N18 | H17 | 124.4° | 122.3° |
| O16 | C17 | N18 | C19 | 47.1° | 23.6° |
| O16 | C17 | N18 | C27 | 135.0° | 156.7° |
| O16 | C17 | C28 | C30 | 38.9° | 24.0° |
| O16 | C17 | C28 | O29 | 156.4° | 142.6° |
| O16 | C17 | C28 | H28 | 84.2° | 94.8° |
| C28 | C17 | N18 | H17 | 116.1° | 122.3° |
| C28 | C17 | N18 | C19 | 72.4° | 91.8° |
| C28 | C17 | N18 | C27 | 105.5° | 87.9° |
| C17 | C28 | C30 | O29 | 113.4° | 118.6° |
| C17 | C28 | C30 | H28 | 126.4° | 118.8° |
| C17 | C28 | O29 | H28 | 127.6° | 122.6° |
| C17 | C28 | O29 | HO29 | 180.0° | 61.4° |
| C17 | C28 | C30 | O31 | 73.9° | 118.6° |
| C17 | C28 | C30 | H30 | 164.9° | 118.6° |
| C17 | N18 | C19 | C27 | 178.2° | 179.7° |
| C17 | N18 | C19 | N20 | 178.8° | 180.0° |
| C17 | N18 | C19 | H19 | 1.2° | 0.1° |
| C17 | N18 | C27 | C21 | 178.6° | 179.8° |
| C17 | N18 | C27 | N26 | 1.4° | 0.8° |
| N18 | C17 | C28 | C30 | 157.0° | 142.9° |
| N18 | C17 | C28 | O29 | 85.6° | 98.5° |
| N18 | C17 | C28 | H28 | 33.9° | 24.0° |
| H17 | C17 | N18 | C19 | 171.5° | 145.9° |
| H17 | C17 | N18 | C27 | 10.6° | 34.5° |
| H17 | C17 | C28 | C30 | 85.4° | 94.8° |
| H17 | C17 | C28 | O29 | 32.0° | 23.7° |
| H17 | C17 | C28 | H28 | 151.5° | 146.3° |
| N18 | C19 | N20 | H19 | 180.0° | 180.0° |
| N18 | C19 | N20 | C21 | 0.6° | 0.0° |
| C19 | N18 | C27 | C21 | 0.4° | 0.5° |
| C19 | N18 | C27 | N26 | 179.6° | 179.5° |
| C27 | N18 | C19 | N20 | 0.6° | 0.3° |
| C27 | N18 | C19 | H19 | 179.4° | 179.8° |
| N18 | C27 | C21 | N20 | 0.1° | 0.5° |
| N18 | C27 | C21 | N26 | 180.0° | 179.2° |
| N18 | C27 | C21 | C22 | 179.2° | 179.8° |
| N18 | C27 | N26 | C25 | 179.3° | 179.5° |
| C19 | N20 | C21 | C27 | 0.3° | 0.3° |
| C19 | N20 | C21 | C22 | 179.4° | 179.9° |
| H19 | C19 | N20 | C21 | 179.4° | 179.9° |
| N20 | C21 | C27 | C22 | 179.3° | 179.7° |
| N20 | C21 | C22 | N24 | 179.9° | 179.9° |
| N20 | C21 | C22 | N23 | 0.5° | 0.1° |
| N20 | C21 | C27 | N26 | 180.0° | 179.7° |
| C27 | C21 | C22 | N24 | 0.9° | 0.3° |
| C27 | C21 | C22 | N23 | 178.6° | 179.7° |
| C21 | C27 | N26 | C25 | 0.6° | 0.6° |
| C21 | C22 | N24 | N23 | 179.5° | 180.0° |
| C21 | C22 | N23 | HN23 | 179.5° | 0.1° |
| C21 | C22 | N23 | HN2A | 59.4° | 180.0° |
| C21 | C22 | N24 | C25 | 0.8° | 0.0° |
| C22 | C21 | C27 | N26 | 0.8° | 0.6° |
| N24 | C22 | N23 | HN23 | 0.0° | 180.0° |
| N24 | C22 | N23 | HN2A | 120.0° | 0.1° |
| C22 | N24 | C25 | N26 | 0.7° | 0.0° |
| C22 | N24 | C25 | H25 | 179.3° | 180.0° |
| C22 | N23 | HN23 | HN2A | 120.0° | 179.9° |
| N23 | C22 | N24 | C25 | 178.6° | 180.0° |
| N24 | C25 | N26 | H25 | 180.0° | 179.9° |
| N24 | C25 | N26 | C27 | 0.6° | 0.3° |
| H25 | C25 | N26 | C27 | 179.4° | 179.7° |
| C30 | C28 | O29 | H28 | 125.0° | 122.7° |
| C30 | C28 | O29 | HO29 | 72.6° | 176.0° |
| C28 | C30 | O31 | H30 | 124.3° | 122.7° |
| C28 | C30 | O31 | P32 | 100.1° | 125.3° |
| O29 | C28 | C30 | O31 | 39.5° | 0.0° |
| O29 | C28 | C30 | H30 | 81.8° | 122.8° |
| H28 | C28 | O29 | HO29 | 52.4° | 61.2° |
| H28 | C28 | C30 | O31 | 159.6° | 122.6° |
| H28 | C28 | C30 | H30 | 38.4° | 0.1° |
| C30 | O31 | P32 | O35 | 148.4° | 55.0° |
| C30 | O31 | P32 | O33 | 25.7° | 65.0° |
| C30 | O31 | P32 | O34 | 94.9° | 175.0° |
| H30 | C30 | O31 | P32 | 24.2° | 2.7° |
| O31 | P32 | O35 | O33 | 123.2° | 120.0° |
| O31 | P32 | O35 | O34 | 115.8° | 120.0° |
| O31 | P32 | O33 | O34 | 119.7° | 120.0° |
| O31 | P32 | O33 | HO33 | 119.4° | 60.0° |
| O31 | P32 | O34 | HO34 | 114.7° | 179.9° |
| O35 | P32 | O33 | O34 | 120.9° | 119.9° |
| O35 | P32 | O33 | HO33 | 0.0° | 180.0° |
| O35 | P32 | O34 | HO34 | 0.0° | 60.1° |
| O33 | P32 | O34 | HO34 | 122.5° | 59.9° |
| O34 | P32 | O33 | HO33 | 120.9° | 60.1° |
| O37 | C36 | C38 | H36 | 120.6° | 120.0° |
| O37 | C36 | C38 | N40 | 12.2° | 169.8° |
| O37 | C36 | C38 | O39 | 168.1° | 10.3° |
| C38 | C36 | O37 | HO37 | 62.0° | 60.0° |
| C36 | C38 | N40 | O39 | 179.7° | 179.9° |
| C36 | C38 | N40 | C41 | 179.9° | 176.0° |
| C36 | C38 | N40 | HN40 | 0.1° | 4.0° |
| H36 | C36 | O37 | HO37 | 58.5° | 180.0° |
| H36 | C36 | C38 | N40 | 132.8° | 49.8° |
| H36 | C36 | C38 | O39 | 47.5° | 130.3° |
| C38 | N40 | C41 | HN40 | 180.0° | 180.0° |
| C38 | N40 | C41 | C42 | 67.5° | 180.0° |
| C38 | N40 | C41 | H41 | 52.5° | 60.0° |
| C38 | N40 | C41 | H41A | 172.5° | 60.0° |
| O39 | C38 | N40 | C41 | 0.2° | 4.0° |
| O39 | C38 | N40 | HN40 | 179.8° | 176.1° |
| N40 | C41 | C42 | H41 | 120.0° | 120.0° |
| N40 | C41 | C42 | H41A | 120.0° | 120.0° |
| N40 | C41 | H41 | H41A | 119.3° | 120.0° |
| N40 | C41 | C42 | C43 | 177.1° | 180.0° |
| N40 | C41 | C42 | H42 | 57.1° | 60.0° |
| N40 | C41 | C42 | H42A | 62.9° | 60.0° |
| HN40 | N40 | C41 | C42 | 112.6° | 0.0° |
| HN40 | N40 | C41 | H41 | 127.5° | 120.0° |
| HN40 | N40 | C41 | H41A | 7.5° | 119.9° |
| C42 | C41 | H41 | H41A | 119.3° | 120.0° |
| C41 | C42 | C43 | H42 | 120.0° | 120.0° |
| C41 | C42 | C43 | H42A | 120.0° | 120.0° |
| C41 | C42 | H42 | H42A | 124.9° | 120.0° |
| C41 | C42 | C43 | O44 | 74.5° | 0.0° |
| C41 | C42 | C43 | N45 | 106.0° | 180.0° |
| H41 | C41 | C42 | C43 | 62.9° | 60.0° |
| H41 | C41 | C42 | H42 | 177.1° | 180.0° |
| H41 | C41 | C42 | H42A | 57.1° | 60.0° |
| H41A | C41 | C42 | C43 | 57.1° | 60.0° |
| H41A | C41 | C42 | H42 | 62.9° | 60.0° |
| H41A | C41 | C42 | H42A | 177.1° | NaN° |
| C43 | C42 | H42 | H42A | 125.0° | 120.0° |
| C42 | C43 | O44 | N45 | 179.5° | 180.0° |
| C42 | C43 | N45 | C46 | 179.7° | 180.0° |
| C42 | C43 | N45 | HN45 | 0.3° | 0.0° |
| H42 | C42 | C43 | O44 | 165.5° | 120.0° |
| H42 | C42 | C43 | N45 | 14.0° | 60.0° |
| H42A | C42 | C43 | O44 | 45.5° | 120.0° |
| H42A | C42 | C43 | N45 | 134.0° | 60.0° |
| O44 | C43 | N45 | C46 | 0.8° | 0.0° |
| O44 | C43 | N45 | HN45 | 179.2° | 180.0° |
| C43 | N45 | C46 | HN45 | 180.0° | 180.0° |
| C43 | N45 | C46 | C47 | 76.3° | 180.0° |
| C43 | N45 | C46 | H46 | 43.7° | 60.1° |
| C43 | N45 | C46 | H46A | 163.7° | 60.0° |
| N45 | C46 | C47 | H46 | 120.0° | 120.0° |
| N45 | C46 | C47 | H46A | 120.0° | 120.0° |
| N45 | C46 | H46 | H46A | 120.5° | 120.1° |
| N45 | C46 | C47 | N48 | 160.8° | 180.0° |
| N45 | C46 | C47 | H47 | 40.8° | 60.0° |
| N45 | C46 | C47 | H47A | 79.2° | 60.0° |
| HN45 | N45 | C46 | C47 | 103.7° | 0.0° |
| HN45 | N45 | C46 | H46 | 136.3° | 119.9° |
| HN45 | N45 | C46 | H46A | 16.3° | 120.0° |
| C47 | C46 | H46 | H46A | 120.5° | 120.0° |
| C46 | C47 | N48 | H47 | 120.0° | 120.0° |
| C46 | C47 | N48 | H47A | 120.0° | 120.0° |
| C46 | C47 | H47 | H47A | 121.2° | 120.0° |
| C46 | C47 | N48 | C49 | 71.0° | 180.0° |
| C46 | C47 | N48 | HN48 | 109.0° | 0.0° |
| H46 | C46 | C47 | N48 | 79.2° | 60.0° |
| H46 | C46 | C47 | H47 | 160.8° | 180.0° |
| H46 | C46 | C47 | H47A | 40.8° | 60.0° |
| H46A | C46 | C47 | N48 | 40.8° | 60.0° |
| H46A | C46 | C47 | H47 | 79.2° | 60.0° |
| H46A | C46 | C47 | H47A | 160.8° | NaN° |
| N48 | C47 | H47 | H47A | 121.2° | 120.0° |
| C47 | N48 | C49 | HN48 | 180.0° | 180.0° |
| C47 | N48 | C49 | O50 | 1.1° | 0.0° |
| C47 | N48 | C49 | C51 | 179.9° | 180.0° |
| H47 | C47 | N48 | C49 | 49.0° | 60.0° |
| H47 | C47 | N48 | HN48 | 131.0° | 120.0° |
| H47A | C47 | N48 | C49 | 169.0° | 60.0° |
| H47A | C47 | N48 | HN48 | 11.0° | 120.0° |
| N48 | C49 | O50 | C51 | 179.0° | 180.0° |
| N48 | C49 | C51 | C52 | 134.9° | 180.0° |
| N48 | C49 | C51 | H51 | 14.9° | 60.0° |
| N48 | C49 | C51 | H51A | 105.1° | 60.0° |
| HN48 | N48 | C49 | O50 | 178.9° | 180.0° |
| HN48 | N48 | C49 | C51 | 0.1° | 0.0° |
| O50 | C49 | C51 | C52 | 44.1° | 0.0° |
| O50 | C49 | C51 | H51 | 164.1° | 120.0° |
| O50 | C49 | C51 | H51A | 75.9° | 120.0° |
| C49 | C51 | C52 | H51 | 120.0° | 119.9° |
| C49 | C51 | C52 | H51A | 120.0° | 120.0° |
| C49 | C51 | H51 | H51A | 120.8° | 120.0° |
| C49 | C51 | C52 | C53 | 144.0° | 180.0° |
| C49 | C51 | C52 | H52 | 96.0° | 60.0° |
| C49 | C51 | C52 | H52A | 24.0° | 60.0° |
| C52 | C51 | H51 | H51A | 120.8° | 120.1° |
| C51 | C52 | C53 | H52 | 120.0° | 120.0° |
| C51 | C52 | C53 | H52A | 120.0° | 120.1° |
| C51 | C52 | H52 | H52A | 123.6° | 120.0° |
| C51 | C52 | C53 | O54 | 60.1° | 0.0° |
| C51 | C52 | C53 | C55 | 124.0° | 180.0° |
| H51 | C51 | C52 | C53 | 24.0° | 60.1° |
| H51 | C51 | C52 | H52 | 144.1° | 179.9° |
| H51 | C51 | C52 | H52A | 96.0° | 60.0° |
| H51A | C51 | C52 | C53 | 95.9° | 60.0° |
| H51A | C51 | C52 | H52 | 24.1° | 60.0° |
| H51A | C51 | C52 | H52A | 144.1° | 180.0° |
| C53 | C52 | H52 | H52A | 123.6° | 119.9° |
| C52 | C53 | O54 | C55 | 176.0° | 180.0° |
| C52 | C53 | C55 | C60 | 36.3° | 77.8° |
| C52 | C53 | C55 | C56 | 143.9° | 102.6° |
| H52 | C52 | C53 | O54 | 179.8° | 120.0° |
| H52 | C52 | C53 | C55 | 4.0° | 60.0° |
| H52A | C52 | C53 | O54 | 59.9° | 120.0° |
| H52A | C52 | C53 | C55 | 116.0° | 59.9° |
| O54 | C53 | C55 | C60 | 147.7° | 102.3° |
| O54 | C53 | C55 | C56 | 32.1° | 77.4° |
| C53 | C55 | C60 | C56 | 179.8° | 179.7° |
| C53 | C55 | C56 | C57 | 179.2° | 180.0° |
| C53 | C55 | C56 | H56 | 0.8° | 0.0° |
| C53 | C55 | C60 | C59 | 178.9° | 179.7° |
| C53 | C55 | C60 | C61 | 3.3° | 0.0° |
| C60 | C55 | C56 | C57 | 0.6° | 0.3° |
| C60 | C55 | C56 | H56 | 179.4° | 179.7° |
| C55 | C60 | C59 | C58 | 1.0° | 0.7° |
| C55 | C60 | C59 | C61 | 175.7° | 179.6° |
| C55 | C60 | C59 | H59 | 179.0° | 179.7° |
| C55 | C60 | C61 | O62 | 128.9° | 2.8° |
| C55 | C60 | C61 | O63 | 52.9° | 177.2° |
| C55 | C56 | C57 | H56 | 180.0° | 180.0° |
| C55 | C56 | C57 | C58 | 0.4° | 0.0° |
| C55 | C56 | C57 | H57 | 179.6° | 180.0° |
| C56 | C55 | C60 | C59 | 0.9° | 0.7° |
| C56 | C55 | C60 | C61 | 176.5° | 179.7° |
| C56 | C57 | C58 | H57 | 180.0° | 180.0° |
| C56 | C57 | C58 | C59 | 0.6° | 0.0° |
| C56 | C57 | C58 | H58 | 179.4° | 179.9° |
| H56 | C56 | C57 | C58 | 179.5° | 180.0° |
| H56 | C56 | C57 | H57 | 0.5° | 0.0° |
| C57 | C58 | C59 | H58 | 180.0° | 179.9° |
| C57 | C58 | C59 | C60 | 0.9° | 0.4° |
| C57 | C58 | C59 | H59 | 179.2° | 180.0° |
| H57 | C57 | C58 | C59 | 179.4° | 179.9° |
| H57 | C57 | C58 | H58 | 0.6° | 0.0° |
| C58 | C59 | C60 | H59 | 180.0° | 179.6° |
| C58 | C59 | C60 | C61 | 176.8° | 179.7° |
| H58 | C58 | C59 | C60 | 179.1° | 179.7° |
| H58 | C58 | C59 | H59 | 0.9° | 0.1° |
| C59 | C60 | C61 | O62 | 55.5° | 176.8° |
| C59 | C60 | C61 | O63 | 122.7° | 3.2° |
| H59 | C59 | C60 | C61 | 3.3° | 0.1° |
| C60 | C61 | O62 | O63 | 178.1° | 180.0° |
| C60 | C61 | O63 | HO63 | 178.2° | 180.0° |
| O62 | C61 | O63 | HO63 | 0.0° | 0.0° |
