N9V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O54 | P52 | doub | 1.48Å | 1.49Å | |
| O53 | P52 | sing | 1.61Å | 1.49Å | |
| P52 | O55 | sing | 1.61Å | 1.51Å | |
| P52 | O51 | sing | 1.61Å | 1.80Å | |
| O27 | P26 | doub | 1.48Å | 1.51Å | |
| O28 | P26 | sing | 1.61Å | 1.51Å | |
| O51 | C36 | sing | 1.43Å | 1.35Å | |
| P26 | O25 | sing | 1.61Å | 1.72Å | |
| P26 | O29 | sing | 1.61Å | 1.54Å | |
| O19 | C18 | doub | 1.21Å | 1.18Å | |
| C35 | C34 | sing | 1.53Å | 1.51Å | |
| C35 | C36 | sing | 1.55Å | 1.57Å | |
| C35 | O39 | sing | 1.44Å | 1.42Å | |
| C34 | O33 | sing | 1.43Å | 1.38Å | |
| O25 | C24 | sing | 1.43Å | 1.34Å | |
| C18 | C20 | sing | 1.51Å | 1.55Å | |
| C18 | N17 | sing | 1.35Å | 1.42Å | |
| C20 | O56 | sing | 1.43Å | 1.39Å | |
| C20 | C21 | sing | 1.53Å | 1.62Å | |
| C36 | C37 | sing | 1.54Å | 1.54Å | |
| C16 | N17 | sing | 1.37Å | 1.49Å | |
| C16 | C15 | doub | 1.35Å | 1.58Å | |
| O39 | C38 | sing | 1.44Å | 1.44Å | |
| O33 | P30 | sing | 1.61Å | 1.73Å | |
| O14 | C13 | doub | 1.22Å | 1.22Å | |
| O29 | P30 | sing | 1.61Å | 1.59Å | |
| O31 | P30 | doub | 1.48Å | 1.50Å | |
| C22 | C21 | sing | 1.53Å | 1.50Å | |
| C15 | C13 | sing | 1.42Å | 1.51Å | |
| C21 | C24 | sing | 1.53Å | 1.50Å | |
| C21 | C23 | sing | 1.53Å | 1.52Å | |
| C13 | N12 | sing | 1.35Å | 1.38Å | |
| C38 | C37 | sing | 1.54Å | 1.50Å | |
| C38 | N40 | sing | 1.47Å | 1.50Å | |
| P30 | O32 | sing | 1.61Å | 1.49Å | |
| C37 | O50 | sing | 1.43Å | 1.43Å | |
| N12 | C11 | sing | 1.46Å | 1.43Å | |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| N45 | C44 | doub | 1.33Å | 1.36Å | Aromatic |
| N45 | C46 | sing | 1.32Å | 1.32Å | Aromatic |
| O06 | C04 | doub | 1.21Å | 1.21Å | |
| N40 | C44 | sing | 1.37Å | 1.34Å | Aromatic |
| N40 | C41 | sing | 1.36Å | 1.40Å | Aromatic |
| C10 | S09 | sing | 1.81Å | 1.80Å | |
| C44 | C43 | sing | 1.40Å | 1.44Å | Aromatic |
| C46 | N47 | doub | 1.32Å | 1.36Å | Aromatic |
| C41 | N42 | doub | 1.30Å | 1.37Å | Aromatic |
| C04 | O05 | sing | 1.34Å | 1.25Å | |
| C04 | C03 | sing | 1.51Å | 1.58Å | |
| O08 | C07 | doub | 1.21Å | 1.16Å | |
| C01 | C02 | sing | 1.53Å | 1.47Å | |
| C07 | S09 | sing | 1.71Å | 1.83Å | |
| C07 | C03 | sing | 1.51Å | 1.47Å | |
| C43 | N42 | sing | 1.35Å | 1.42Å | Aromatic |
| C43 | C48 | doub | 1.41Å | 1.39Å | Aromatic |
| N47 | C48 | sing | 1.33Å | 1.35Å | Aromatic |
| C02 | C03 | sing | 1.53Å | 1.49Å | |
| C48 | N49 | sing | 1.38Å | 1.38Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| C34 | H23 | sing | 1.09Å | 1.10Å | |
| C35 | H24 | sing | 1.09Å | 1.10Å | |
| C36 | H25 | sing | 1.09Å | 1.10Å | |
| C37 | H26 | sing | 1.09Å | 1.10Å | |
| C38 | H27 | sing | 1.09Å | 1.10Å | |
| C41 | H28 | sing | 1.08Å | 1.08Å | |
| C46 | H29 | sing | 1.08Å | 1.08Å | |
| N12 | H30 | sing | 0.97Å | 1.00Å | |
| N17 | H31 | sing | 0.97Å | 1.00Å | |
| N49 | H32 | sing | 0.97Å | 1.00Å | |
| N49 | H33 | sing | 0.97Å | 1.00Å | |
| O05 | H34 | sing | 0.97Å | 0.95Å | |
| O28 | H35 | sing | 0.97Å | 0.95Å | |
| O32 | H36 | sing | 0.97Å | 0.95Å | |
| O50 | H37 | sing | 0.97Å | 0.95Å | |
| O53 | H38 | sing | 0.97Å | 0.95Å | |
| O55 | H39 | sing | 0.97Å | 0.95Å | |
| O56 | H40 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O54 | P52 | O53 | 116.0° | 109.5° |
| O54 | P52 | O55 | 116.9° | 109.5° |
| O54 | P52 | O51 | 100.2° | 109.5° |
| O53 | P52 | O55 | 114.6° | 109.5° |
| O53 | P52 | O51 | 104.6° | 109.5° |
| P52 | O53 | H38 | 109.5° | 114.0° |
| O55 | P52 | O51 | 100.9° | 109.5° |
| P52 | O55 | H39 | 109.5° | 114.0° |
| P52 | O51 | C36 | 120.5° | 123.0° |
| O27 | P26 | O28 | 115.8° | 109.5° |
| O27 | P26 | O25 | 101.0° | 109.5° |
| O27 | P26 | O29 | 116.1° | 109.5° |
| O28 | P26 | O25 | 99.8° | 109.5° |
| O28 | P26 | O29 | 119.8° | 109.5° |
| P26 | O28 | H35 | 109.5° | 114.0° |
| O51 | C36 | C35 | 114.3° | 110.5° |
| O51 | C36 | C37 | 113.9° | 110.5° |
| O51 | C36 | H25 | 111.1° | 110.6° |
| O25 | P26 | O29 | 98.3° | 109.5° |
| P26 | O25 | C24 | 123.5° | 123.0° |
| P26 | O29 | P30 | 134.5° | 134.1° |
| O19 | C18 | C20 | 121.3° | 120.0° |
| O19 | C18 | N17 | 117.7° | 120.0° |
| C34 | C35 | C36 | 112.1° | 110.4° |
| C34 | C35 | O39 | 107.9° | 110.4° |
| C35 | C34 | O33 | 110.8° | 109.5° |
| C35 | C34 | H22 | 109.1° | 109.5° |
| C35 | C34 | H23 | 109.1° | 109.5° |
| C34 | C35 | H24 | 109.9° | 110.3° |
| C36 | C35 | O39 | 106.4° | 104.8° |
| C35 | C36 | C37 | 100.5° | 104.0° |
| C36 | C35 | H24 | 109.1° | 110.3° |
| C35 | C36 | H25 | 108.0° | 110.5° |
| C35 | O39 | C38 | 108.6° | 105.3° |
| O39 | C35 | H24 | 111.3° | 110.5° |
| C34 | O33 | P30 | 122.4° | 123.0° |
| O33 | C34 | H22 | 109.1° | 109.4° |
| O33 | C34 | H23 | 109.2° | 109.5° |
| O25 | C24 | C21 | 108.0° | 109.5° |
| O25 | C24 | H20 | 109.8° | 109.4° |
| O25 | C24 | H21 | 109.8° | 109.4° |
| C20 | C18 | N17 | 120.9° | 120.0° |
| C18 | C20 | O56 | 107.6° | 109.4° |
| C18 | C20 | C21 | 114.9° | 109.5° |
| C18 | C20 | H13 | 107.0° | 109.5° |
| C18 | N17 | C16 | 122.0° | 120.0° |
| C18 | N17 | H31 | 119.0° | 120.0° |
| O56 | C20 | C21 | 111.9° | 109.5° |
| O56 | C20 | H13 | 109.0° | 109.5° |
| C20 | O56 | H40 | 109.5° | 114.0° |
| C20 | C21 | C22 | 112.1° | 109.5° |
| C20 | C21 | C24 | 111.0° | 109.5° |
| C20 | C21 | C23 | 114.6° | 109.5° |
| C21 | C20 | H13 | 106.2° | 109.5° |
| C36 | C37 | C38 | 99.7° | 104.1° |
| C36 | C37 | O50 | 109.5° | 110.5° |
| C37 | C36 | H25 | 108.4° | 110.5° |
| C36 | C37 | H26 | 113.2° | 110.5° |
| N17 | C16 | C15 | 115.0° | 120.0° |
| N17 | C16 | H12 | 122.5° | 120.0° |
| C16 | N17 | H31 | 119.0° | 120.0° |
| C16 | C15 | C13 | 116.3° | 120.0° |
| C16 | C15 | H11 | 121.8° | 120.0° |
| C15 | C16 | H12 | 122.5° | 120.0° |
| O39 | C38 | C37 | 104.7° | 104.8° |
| O39 | C38 | N40 | 109.9° | 110.4° |
| O39 | C38 | H27 | 111.1° | 110.5° |
| O33 | P30 | O29 | 111.5° | 109.5° |
| O33 | P30 | O31 | 108.8° | 109.5° |
| O33 | P30 | O32 | 103.4° | 109.5° |
| O14 | C13 | C15 | 123.0° | 120.0° |
| O14 | C13 | N12 | 117.1° | 120.0° |
| O29 | P30 | O31 | 104.0° | 109.4° |
| O29 | P30 | O32 | 109.3° | 109.4° |
| O31 | P30 | O32 | 120.0° | 109.5° |
| C22 | C21 | C24 | 104.8° | 109.4° |
| C22 | C21 | C23 | 108.6° | 109.5° |
| C21 | C22 | H14 | 109.5° | 109.4° |
| C21 | C22 | H15 | 109.4° | 109.5° |
| C21 | C22 | H16 | 109.5° | 109.5° |
| C15 | C13 | N12 | 119.9° | 120.0° |
| C13 | C15 | H11 | 121.8° | 120.0° |
| C24 | C21 | C23 | 105.0° | 109.5° |
| C21 | C24 | H20 | 109.8° | 109.5° |
| C21 | C24 | H21 | 109.8° | 109.5° |
| C21 | C23 | H17 | 109.5° | 109.4° |
| C21 | C23 | H18 | 109.5° | 109.5° |
| C21 | C23 | H19 | 109.5° | 109.4° |
| C13 | N12 | C11 | 122.0° | 120.0° |
| C13 | N12 | H30 | 119.0° | 120.0° |
| C37 | C38 | N40 | 110.7° | 110.4° |
| C38 | C37 | O50 | 104.0° | 110.5° |
| C38 | C37 | H26 | 113.8° | 110.7° |
| C37 | C38 | H27 | 110.1° | 110.4° |
| C38 | N40 | C44 | 121.6° | 126.3° |
| C38 | N40 | C41 | 129.7° | 126.3° |
| N40 | C38 | H27 | 110.1° | 110.3° |
| P30 | O32 | H36 | 109.5° | 114.0° |
| O50 | C37 | H26 | 115.2° | 110.4° |
| C37 | O50 | H37 | 109.5° | 114.0° |
| N12 | C11 | C10 | 110.2° | 109.5° |
| N12 | C11 | H9 | 109.3° | 109.5° |
| N12 | C11 | H10 | 109.3° | 109.4° |
| C11 | N12 | H30 | 119.0° | 120.0° |
| C11 | C10 | S09 | 109.2° | 109.5° |
| C11 | C10 | H7 | 109.6° | 109.5° |
| C11 | C10 | H8 | 109.5° | 109.5° |
| C10 | C11 | H9 | 109.3° | 109.5° |
| C10 | C11 | H10 | 109.3° | 109.5° |
| C44 | N45 | C46 | 112.8° | 120.6° |
| N45 | C44 | N40 | 129.3° | 134.9° |
| N45 | C44 | C43 | 124.7° | 119.1° |
| N45 | C46 | N47 | 128.4° | 122.4° |
| N45 | C46 | H29 | 115.8° | 118.8° |
| O06 | C04 | O05 | 128.9° | 120.0° |
| O06 | C04 | C03 | 113.3° | 120.0° |
| C44 | N40 | C41 | 108.7° | 107.5° |
| N40 | C44 | C43 | 106.0° | 106.0° |
| N40 | C41 | N42 | 112.0° | 110.0° |
| N40 | C41 | H28 | 124.0° | 125.0° |
| C10 | S09 | C07 | 108.8° | 100.0° |
| S09 | C10 | H7 | 109.5° | 109.5° |
| S09 | C10 | H8 | 109.6° | 109.5° |
| C44 | C43 | N42 | 110.0° | 107.2° |
| C44 | C43 | C48 | 115.6° | 118.2° |
| C46 | N47 | C48 | 118.2° | 121.2° |
| N47 | C46 | H29 | 115.8° | 118.8° |
| C41 | N42 | C43 | 103.4° | 109.4° |
| N42 | C41 | H28 | 124.0° | 125.0° |
| O05 | C04 | C03 | 117.7° | 120.0° |
| C04 | O05 | H34 | 109.5° | 117.0° |
| C04 | C03 | C07 | 99.4° | 109.4° |
| C04 | C03 | C02 | 108.5° | 109.5° |
| C04 | C03 | H6 | 109.3° | 109.5° |
| O08 | C07 | S09 | 113.0° | 120.1° |
| O08 | C07 | C03 | 134.5° | 120.0° |
| C01 | C02 | C03 | 116.1° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.4° |
| C02 | C01 | H2 | 109.5° | 109.4° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 107.8° | 109.4° |
| C01 | C02 | H5 | 107.8° | 109.4° |
| S09 | C07 | C03 | 112.4° | 120.0° |
| C07 | C03 | C02 | 117.6° | 109.5° |
| C07 | C03 | H6 | 110.8° | 109.5° |
| N42 | C43 | C48 | 134.4° | 134.6° |
| C43 | C48 | N47 | 120.3° | 118.4° |
| C43 | C48 | N49 | 122.7° | 120.8° |
| N47 | C48 | N49 | 117.0° | 120.8° |
| C03 | C02 | H4 | 107.8° | 109.5° |
| C03 | C02 | H5 | 107.8° | 109.5° |
| C02 | C03 | H6 | 110.5° | 109.5° |
| C48 | N49 | H32 | 109.5° | 120.0° |
| C48 | N49 | H33 | 109.5° | 120.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.4° | 109.5° |
| H4 | C02 | H5 | 109.5° | 109.4° |
| H7 | C10 | H8 | 109.5° | 109.4° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H14 | C22 | H15 | 109.5° | 109.4° |
| H14 | C22 | H16 | 109.5° | 109.4° |
| H15 | C22 | H16 | 109.5° | 109.5° |
| H17 | C23 | H18 | 109.4° | 109.5° |
| H17 | C23 | H19 | 109.5° | 109.5° |
| H18 | C23 | H19 | 109.5° | 109.5° |
| H20 | C24 | H21 | 109.5° | 109.5° |
| H22 | C34 | H23 | 109.5° | 109.5° |
| H32 | N49 | H33 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O54 | P52 | O53 | O55 | 141.1° | 120.0° |
| O54 | P52 | O53 | O51 | 109.4° | 120.0° |
| O54 | P52 | O55 | O51 | 107.5° | 120.0° |
| O54 | P52 | O51 | C36 | 53.4° | 55.0° |
| O54 | P52 | O53 | H38 | 0.0° | 60.0° |
| O54 | P52 | O55 | H39 | 0.0° | 180.0° |
| O53 | P52 | O55 | O51 | 111.8° | 120.0° |
| O53 | P52 | O51 | C36 | 173.9° | 175.0° |
| O53 | P52 | O55 | H39 | 140.7° | 60.0° |
| O55 | P52 | O51 | C36 | 66.8° | 65.0° |
| O55 | P52 | O53 | H38 | 141.1° | 60.0° |
| P52 | O51 | C36 | C35 | 112.5° | 120.0° |
| P52 | O51 | C36 | C37 | 132.8° | 125.3° |
| P52 | O51 | C36 | H25 | 10.1° | 2.6° |
| O51 | P52 | O53 | H38 | 109.4° | 180.0° |
| O51 | P52 | O55 | H39 | 107.5° | 59.9° |
| O27 | P26 | O28 | O25 | 107.4° | 120.0° |
| O27 | P26 | O28 | O29 | 147.1° | 120.0° |
| O27 | P26 | O25 | O29 | 118.8° | 120.0° |
| O27 | P26 | O25 | C24 | 128.2° | 55.0° |
| O27 | P26 | O29 | P30 | 66.0° | 40.0° |
| O27 | P26 | O28 | H35 | 0.0° | 180.0° |
| O28 | P26 | O25 | O29 | 122.3° | 120.0° |
| O28 | P26 | O25 | C24 | 112.9° | 65.0° |
| O28 | P26 | O29 | P30 | 81.0° | 80.0° |
| O51 | C36 | C35 | C34 | 143.4° | 98.5° |
| O51 | C36 | C35 | C37 | 122.4° | 118.7° |
| O51 | C36 | C35 | H25 | 124.2° | 122.7° |
| O51 | C36 | C35 | O39 | 98.9° | 142.6° |
| O51 | C36 | C37 | H25 | 124.2° | 122.7° |
| O51 | C36 | C37 | C38 | 82.9° | 118.6° |
| O51 | C36 | C37 | O50 | 25.8° | 0.0° |
| O51 | C36 | C35 | H24 | 21.3° | 23.7° |
| O51 | C36 | C37 | H26 | 155.8° | 122.5° |
| O25 | P26 | O29 | P30 | 172.6° | 160.0° |
| P26 | O25 | C24 | C21 | 179.0° | 180.0° |
| P26 | O25 | C24 | H20 | 59.2° | 60.0° |
| P26 | O25 | C24 | H21 | 61.2° | 60.0° |
| O25 | P26 | O28 | H35 | 107.4° | 60.0° |
| O29 | P26 | O25 | C24 | 9.4° | 175.0° |
| P26 | O29 | P30 | O33 | 50.0° | 160.0° |
| P26 | O29 | P30 | O31 | 67.1° | 40.0° |
| P26 | O29 | P30 | O32 | 163.7° | 80.0° |
| O29 | P26 | O28 | H35 | 147.1° | 60.0° |
| O19 | C18 | C20 | N17 | 176.1° | 180.0° |
| O19 | C18 | C20 | O56 | 160.4° | 8.2° |
| O19 | C18 | C20 | C21 | 74.3° | 111.8° |
| O19 | C18 | N17 | C16 | 3.3° | 4.4° |
| O19 | C18 | C20 | H13 | 43.3° | 128.2° |
| O19 | C18 | N17 | H31 | 176.7° | 175.6° |
| C34 | C35 | C36 | O39 | 117.8° | 118.8° |
| C34 | C35 | C36 | H24 | 122.0° | 122.2° |
| C34 | C35 | O39 | H24 | 120.7° | 122.3° |
| C35 | C34 | O33 | H22 | 120.2° | 120.0° |
| C35 | C34 | O33 | H23 | 120.2° | 120.0° |
| C34 | C35 | C36 | C37 | 94.3° | 142.8° |
| C34 | C35 | O39 | C38 | 124.0° | 159.3° |
| C35 | C34 | O33 | P30 | 114.6° | 180.0° |
| C35 | C34 | H22 | H23 | 119.4° | 120.1° |
| C34 | C35 | C36 | H25 | 19.1° | 24.2° |
| C36 | C35 | O39 | H24 | 118.8° | 118.9° |
| C36 | C35 | C34 | O33 | 72.5° | 175.0° |
| C35 | C36 | C37 | H25 | 113.1° | 118.6° |
| C36 | C35 | O39 | C38 | 3.5° | 40.5° |
| C35 | C36 | C37 | C38 | 39.8° | 0.0° |
| C35 | C36 | C37 | O50 | 148.5° | 118.7° |
| C36 | C35 | C34 | H22 | 167.3° | 55.0° |
| C36 | C35 | C34 | H23 | 47.7° | 65.0° |
| C35 | C36 | C37 | H26 | 81.5° | 118.8° |
| O39 | C35 | C34 | O33 | 44.4° | 69.7° |
| O39 | C35 | C36 | C37 | 23.5° | 24.0° |
| C35 | O39 | C38 | C37 | 30.4° | 40.5° |
| C35 | O39 | C38 | N40 | 149.4° | 159.4° |
| O39 | C35 | C34 | H22 | 75.8° | 170.4° |
| O39 | C35 | C34 | H23 | 164.6° | 50.4° |
| O39 | C35 | C36 | H25 | 136.9° | 94.7° |
| C35 | O39 | C38 | H27 | 88.5° | 78.4° |
| C34 | O33 | P30 | O29 | 76.0° | 175.0° |
| C34 | O33 | P30 | O31 | 38.1° | 55.0° |
| C34 | O33 | P30 | O32 | 166.7° | 65.0° |
| O33 | C34 | H22 | H23 | 119.4° | 120.0° |
| O33 | C34 | C35 | H24 | 165.9° | 52.8° |
| O25 | C24 | C21 | C20 | 38.5° | 180.0° |
| O25 | C24 | C21 | C22 | 82.7° | 60.0° |
| O25 | C24 | C21 | H20 | 119.8° | 120.0° |
| O25 | C24 | C21 | H21 | 119.8° | 120.0° |
| O25 | C24 | C21 | C23 | 162.9° | 60.0° |
| O25 | C24 | H20 | H21 | 120.7° | 120.0° |
| C18 | C20 | O56 | C21 | 127.1° | 120.0° |
| C18 | C20 | O56 | H13 | 115.7° | 120.0° |
| C18 | C20 | C21 | H13 | 118.0° | 120.0° |
| C20 | C18 | N17 | C16 | 179.5° | 175.6° |
| C18 | C20 | C21 | C22 | 66.3° | 174.2° |
| C18 | C20 | C21 | C24 | 176.9° | 54.2° |
| C18 | C20 | C21 | C23 | 58.1° | 65.8° |
| C20 | C18 | N17 | H31 | 0.5° | 4.4° |
| C18 | C20 | O56 | H40 | 180.0° | 60.0° |
| N17 | C18 | C20 | O56 | 15.7° | 171.9° |
| N17 | C18 | C20 | C21 | 109.7° | 68.2° |
| C18 | N17 | C16 | H31 | 180.0° | 180.0° |
| C18 | N17 | C16 | C15 | 55.8° | 180.0° |
| C18 | N17 | C16 | H12 | 124.2° | 0.0° |
| N17 | C18 | C20 | H13 | 132.7° | 51.8° |
| O56 | C20 | C21 | H13 | 118.9° | 120.0° |
| O56 | C20 | C21 | C22 | 170.6° | 54.3° |
| O56 | C20 | C21 | C24 | 53.8° | 65.7° |
| O56 | C20 | C21 | C23 | 64.9° | 174.3° |
| C20 | C21 | C22 | C24 | 120.5° | 120.0° |
| C20 | C21 | C22 | C23 | 127.7° | 120.0° |
| C20 | C21 | C24 | C23 | 124.4° | 120.0° |
| C20 | C21 | C22 | H14 | 180.0° | 63.4° |
| C20 | C21 | C22 | H15 | 60.0° | 176.6° |
| C20 | C21 | C22 | H16 | 60.0° | 56.5° |
| C20 | C21 | C23 | H17 | 180.0° | 66.4° |
| C20 | C21 | C23 | H18 | 60.0° | 173.6° |
| C20 | C21 | C23 | H19 | 60.0° | 53.6° |
| C20 | C21 | C24 | H20 | 81.3° | 60.0° |
| C20 | C21 | C24 | H21 | 158.2° | 60.0° |
| C21 | C20 | O56 | H40 | 52.9° | 60.0° |
| C36 | C37 | C38 | O39 | 44.0° | 24.0° |
| C36 | C37 | C38 | O50 | 113.0° | 118.6° |
| C36 | C37 | C38 | H26 | 120.8° | 118.7° |
| C36 | C37 | C38 | N40 | 162.4° | 142.8° |
| C36 | C37 | O50 | H26 | 128.9° | 122.5° |
| C37 | C36 | C35 | H24 | 143.7° | 95.0° |
| C36 | C37 | C38 | H27 | 75.5° | 95.0° |
| C36 | C37 | O50 | H37 | 180.0° | 180.0° |
| N17 | C16 | C15 | H12 | 180.0° | 180.0° |
| N17 | C16 | C15 | C13 | 170.5° | 180.0° |
| N17 | C16 | C15 | H11 | 9.5° | 0.0° |
| C16 | C15 | C13 | O14 | 124.3° | 0.0° |
| C16 | C15 | C13 | H11 | 180.0° | 179.9° |
| C16 | C15 | C13 | N12 | 54.6° | 180.0° |
| C15 | C16 | N17 | H31 | 124.2° | 0.0° |
| O39 | C38 | C37 | N40 | 118.4° | 118.9° |
| O39 | C38 | C37 | H27 | 119.5° | 118.9° |
| O39 | C38 | N40 | H27 | 122.7° | 122.4° |
| O39 | C38 | C37 | O50 | 157.0° | 142.6° |
| O39 | C38 | N40 | C44 | 109.9° | 159.6° |
| O39 | C38 | N40 | C41 | 72.8° | 20.5° |
| C38 | O39 | C35 | H24 | 115.4° | 78.4° |
| O39 | C38 | C37 | H26 | 76.8° | 94.7° |
| O33 | P30 | O29 | O31 | 117.0° | 120.0° |
| O33 | P30 | O29 | O32 | 113.7° | 120.0° |
| O33 | P30 | O31 | O32 | 118.6° | 120.0° |
| P30 | O33 | C34 | H22 | 5.6° | 60.0° |
| P30 | O33 | C34 | H23 | 125.2° | 60.0° |
| O33 | P30 | O32 | H36 | 121.4° | 60.0° |
| O14 | C13 | C15 | N12 | 178.9° | 180.0° |
| O14 | C13 | N12 | C11 | 0.4° | 0.0° |
| O14 | C13 | C15 | H11 | 55.7° | 180.0° |
| O14 | C13 | N12 | H30 | 179.6° | 180.0° |
| O29 | P30 | O31 | O32 | 122.4° | 119.9° |
| O29 | P30 | O32 | H36 | 119.8° | 60.1° |
| O31 | P30 | O32 | H36 | 0.0° | 180.0° |
| C22 | C21 | C24 | C23 | 114.4° | 120.0° |
| C22 | C21 | C20 | H13 | 51.7° | 65.8° |
| C21 | C22 | H14 | H15 | 120.0° | 120.0° |
| C21 | C22 | H14 | H16 | 120.0° | 120.0° |
| C21 | C22 | H15 | H16 | 120.0° | 120.1° |
| C22 | C21 | C23 | H17 | 53.7° | 173.6° |
| C22 | C21 | C23 | H18 | 66.2° | 53.5° |
| C22 | C21 | C23 | H19 | 173.8° | 66.5° |
| C22 | C21 | C24 | H20 | 157.5° | 180.0° |
| C22 | C21 | C24 | H21 | 37.0° | 60.0° |
| C15 | C13 | N12 | C11 | 179.3° | 180.0° |
| C13 | C15 | C16 | H12 | 9.5° | 0.0° |
| C15 | C13 | N12 | H30 | 0.7° | 0.0° |
| C24 | C21 | C20 | H13 | 65.1° | 174.3° |
| C24 | C21 | C22 | H14 | 59.5° | 176.6° |
| C24 | C21 | C22 | H15 | 60.5° | 56.6° |
| C24 | C21 | C22 | H16 | 179.5° | 63.5° |
| C24 | C21 | C23 | H17 | 57.9° | 53.6° |
| C24 | C21 | C23 | H18 | 177.9° | 66.4° |
| C24 | C21 | C23 | H19 | 62.1° | 173.6° |
| C21 | C24 | H20 | H21 | 120.7° | 120.1° |
| C23 | C21 | C20 | H13 | 176.2° | 54.2° |
| C23 | C21 | C22 | H14 | 52.3° | 56.6° |
| C23 | C21 | C22 | H15 | 172.3° | 63.3° |
| C23 | C21 | C22 | H16 | 67.7° | 176.6° |
| C21 | C23 | H17 | H18 | 120.0° | 120.0° |
| C21 | C23 | H17 | H19 | 120.0° | 119.9° |
| C21 | C23 | H18 | H19 | 120.0° | 120.0° |
| C23 | C21 | C24 | H20 | 43.1° | 60.0° |
| C23 | C21 | C24 | H21 | 77.3° | 179.9° |
| C13 | N12 | C11 | H30 | 180.0° | 180.0° |
| C13 | N12 | C11 | C10 | 87.1° | 180.0° |
| C13 | N12 | C11 | H9 | 33.1° | 60.0° |
| C13 | N12 | C11 | H10 | 152.8° | 60.0° |
| N12 | C13 | C15 | H11 | 125.4° | 0.0° |
| C37 | C38 | N40 | H27 | 122.1° | 122.2° |
| C38 | C37 | O50 | H26 | 125.3° | 122.8° |
| C37 | C38 | N40 | C44 | 134.9° | 85.0° |
| C37 | C38 | N40 | C41 | 42.4° | 94.9° |
| C38 | C37 | C36 | H25 | 152.9° | 118.6° |
| C38 | C37 | O50 | H37 | 74.2° | 65.3° |
| N40 | C38 | C37 | O50 | 84.6° | 98.5° |
| C38 | N40 | C44 | N45 | 1.8° | 0.3° |
| C38 | N40 | C44 | C41 | 177.8° | 179.9° |
| C38 | N40 | C44 | C43 | 178.3° | 179.7° |
| C38 | N40 | C41 | N42 | 178.6° | 180.0° |
| N40 | C38 | C37 | H26 | 41.6° | 24.1° |
| C38 | N40 | C41 | H28 | 1.4° | 0.4° |
| O50 | C37 | C36 | H25 | 98.3° | 122.7° |
| O50 | C37 | C38 | H27 | 37.5° | 23.7° |
| N12 | C11 | C10 | H9 | 120.1° | 120.0° |
| N12 | C11 | C10 | H10 | 120.1° | 120.0° |
| N12 | C11 | C10 | S09 | 78.6° | 180.0° |
| N12 | C11 | C10 | H7 | 41.4° | 60.0° |
| N12 | C11 | C10 | H8 | 161.5° | 60.0° |
| N12 | C11 | H9 | H10 | 119.7° | 120.0° |
| C11 | C10 | S09 | H7 | 120.0° | 120.0° |
| C11 | C10 | S09 | H8 | 119.9° | 120.0° |
| C11 | C10 | S09 | C07 | 75.0° | 180.0° |
| C11 | C10 | H7 | H8 | 120.1° | 120.0° |
| C10 | C11 | H9 | H10 | 119.6° | 120.0° |
| C10 | C11 | N12 | H30 | 93.0° | 0.0° |
| N45 | C44 | N40 | C43 | 179.9° | 179.4° |
| N45 | C44 | N40 | C41 | 179.6° | 179.6° |
| C44 | N45 | C46 | N47 | 0.1° | 0.2° |
| N45 | C44 | C43 | N42 | 179.7° | 179.9° |
| N45 | C44 | C43 | C48 | 0.1° | 0.4° |
| C44 | N45 | C46 | H29 | 180.0° | 179.9° |
| C46 | N45 | C44 | N40 | 179.7° | 179.4° |
| C46 | N45 | C44 | C43 | 0.2° | 0.1° |
| N45 | C46 | N47 | H29 | 180.0° | 179.9° |
| N45 | C46 | N47 | C48 | 0.3° | 0.2° |
| O06 | C04 | O05 | C03 | 177.0° | 180.0° |
| O06 | C04 | C03 | C07 | 92.6° | 120.0° |
| O06 | C04 | C03 | C02 | 30.8° | 0.0° |
| O06 | C04 | C03 | H6 | 151.3° | 120.0° |
| O06 | C04 | O05 | H34 | 0.0° | 0.0° |
| C44 | N40 | C41 | N42 | 1.0° | 0.0° |
| N40 | C44 | C43 | N42 | 0.1° | 0.4° |
| N40 | C44 | C43 | C48 | 180.0° | 179.9° |
| C44 | N40 | C38 | H27 | 12.8° | 37.2° |
| C44 | N40 | C41 | H28 | 179.0° | 179.7° |
| C41 | N40 | C44 | C43 | 0.5° | 0.2° |
| N40 | C41 | N42 | H28 | 180.0° | 179.6° |
| N40 | C41 | N42 | C43 | 1.0° | 0.3° |
| C41 | N40 | C38 | H27 | 164.5° | 142.8° |
| C10 | S09 | C07 | O08 | 26.9° | 0.0° |
| C10 | S09 | C07 | C03 | 150.1° | 180.0° |
| S09 | C10 | H7 | H8 | 120.1° | 120.0° |
| S09 | C10 | C11 | H9 | 161.3° | 60.0° |
| S09 | C10 | C11 | H10 | 41.5° | 60.0° |
| C44 | C43 | N42 | C41 | 0.7° | 0.5° |
| C44 | C43 | N42 | C48 | 179.8° | 179.6° |
| C44 | C43 | C48 | N47 | 0.5° | 0.4° |
| C44 | C43 | C48 | N49 | 180.0° | 179.5° |
| C46 | N47 | C48 | C43 | 0.6° | 0.2° |
| C46 | N47 | C48 | N49 | 179.9° | 179.8° |
| C41 | N42 | C43 | C48 | 179.5° | 180.0° |
| O05 | C04 | C03 | C07 | 84.8° | 60.0° |
| O05 | C04 | C03 | C02 | 151.8° | 180.0° |
| O05 | C04 | C03 | H6 | 31.2° | 60.0° |
| C04 | C03 | C07 | O08 | 112.1° | 120.0° |
| C04 | C03 | C02 | C01 | 110.5° | 65.0° |
| C04 | C03 | C07 | S09 | 64.1° | 60.1° |
| C04 | C03 | C07 | C02 | 116.7° | 120.0° |
| C04 | C03 | C07 | H6 | 114.8° | 120.0° |
| C04 | C03 | C02 | H6 | 119.8° | 120.0° |
| C04 | C03 | C02 | H4 | 128.5° | 55.0° |
| C04 | C03 | C02 | H5 | 10.5° | 175.0° |
| C03 | C04 | O05 | H34 | 177.0° | 179.9° |
| O08 | C07 | S09 | C03 | 177.1° | 179.9° |
| O08 | C07 | C03 | C02 | 4.6° | 0.1° |
| O08 | C07 | C03 | H6 | 133.1° | 120.0° |
| C01 | C02 | C03 | C07 | 1.1° | 175.0° |
| C01 | C02 | C03 | H4 | 121.0° | 120.0° |
| C01 | C02 | C03 | H5 | 121.0° | 120.0° |
| C02 | C01 | H1 | H2 | 120.0° | 119.9° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 117.0° | 119.9° |
| C01 | C02 | C03 | H6 | 129.7° | 55.0° |
| S09 | C07 | C03 | C02 | 179.2° | 180.0° |
| S09 | C07 | C03 | H6 | 50.7° | 59.9° |
| C07 | S09 | C10 | H7 | 165.1° | 60.0° |
| C07 | S09 | C10 | H8 | 45.0° | 60.0° |
| C07 | C03 | C02 | H6 | 128.6° | 120.0° |
| C07 | C03 | C02 | H4 | 119.9° | 65.0° |
| C07 | C03 | C02 | H5 | 122.1° | 55.0° |
| N42 | C43 | C48 | N47 | 179.3° | 180.0° |
| N42 | C43 | C48 | N49 | 0.2° | 0.1° |
| C43 | N42 | C41 | H28 | 179.0° | 180.0° |
| C43 | C48 | N47 | N49 | 179.5° | 179.9° |
| C43 | C48 | N49 | H32 | 179.5° | 0.1° |
| C43 | C48 | N49 | H33 | 59.5° | 180.0° |
| C48 | N47 | C46 | H29 | 179.6° | 179.9° |
| N47 | C48 | N49 | H32 | 0.0° | 180.0° |
| N47 | C48 | N49 | H33 | 120.0° | 0.1° |
| C03 | C02 | C01 | H1 | 180.0° | 60.0° |
| C03 | C02 | C01 | H2 | 60.0° | 60.0° |
| C03 | C02 | C01 | H3 | 60.0° | 180.0° |
| C03 | C02 | H4 | H5 | 117.0° | 120.1° |
| C48 | N49 | H32 | H33 | 120.0° | 179.9° |
| H1 | C01 | H2 | H3 | 120.0° | 120.1° |
| H1 | C01 | C02 | H4 | 59.0° | 60.0° |
| H1 | C01 | C02 | H5 | 59.0° | 179.9° |
| H2 | C01 | C02 | H4 | 61.0° | 180.0° |
| H2 | C01 | C02 | H5 | 179.1° | 60.1° |
| H3 | C01 | C02 | H4 | 179.0° | 60.0° |
| H3 | C01 | C02 | H5 | 61.0° | 59.9° |
| H4 | C02 | C03 | H6 | 8.8° | 175.0° |
| H5 | C02 | C03 | H6 | 109.3° | 65.0° |
| H7 | C10 | C11 | H9 | 78.8° | 60.0° |
| H7 | C10 | C11 | H10 | 161.5° | 180.0° |
| H8 | C10 | C11 | H9 | 41.3° | 180.0° |
| H8 | C10 | C11 | H10 | 78.4° | 60.0° |
| H9 | C11 | N12 | H30 | 146.9° | 120.0° |
| H10 | C11 | N12 | H30 | 27.1° | 120.0° |
| H11 | C15 | C16 | H12 | 170.5° | 180.0° |
| H12 | C16 | N17 | H31 | 55.8° | 180.0° |
| H13 | C20 | O56 | H40 | 64.3° | 180.0° |
| H14 | C22 | H15 | H16 | 120.0° | 119.9° |
| H17 | C23 | H18 | H19 | 120.0° | 120.1° |
| H22 | C34 | C35 | H24 | 45.7° | 67.2° |
| H23 | C34 | C35 | H24 | 73.9° | 172.8° |
| H24 | C35 | C36 | H25 | 102.9° | 146.4° |
| H25 | C36 | C37 | H26 | 31.6° | 0.2° |
| H26 | C37 | C38 | H27 | 163.6° | 146.3° |
| H26 | C37 | O50 | H37 | 51.1° | 57.5° |
