N2S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | PT | sing | 2.00Å | 2.00Å | |
| PT | N24 | sing | 1.90Å | 1.90Å | |
| PT | N28 | sing | 1.90Å | 1.90Å | |
| C01 | O02 | sing | 1.40Å | 1.40Å | |
| O02 | C03 | sing | 1.40Å | 1.40Å | |
| C03 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C03 | C39 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C07 | sing | 1.59Å | 1.59Å | |
| C06 | C34 | sing | 1.50Å | 1.50Å | |
| C07 | C08 | sing | 1.50Å | 1.50Å | Aromatic |
| C07 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C09 | doub | 1.50Å | 1.50Å | Aromatic |
| C09 | O10 | sing | 1.40Å | 1.40Å | |
| C09 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| O10 | C11 | sing | 1.40Å | 1.40Å | |
| C11 | O12 | sing | 1.40Å | 1.40Å | |
| O12 | C13 | sing | 1.39Å | 1.39Å | |
| C13 | C14 | doub | 1.49Å | 1.49Å | Aromatic |
| C14 | C15 | sing | 1.50Å | 1.50Å | Aromatic |
| C15 | C16 | sing | 1.50Å | 1.50Å | |
| C16 | N17 | sing | 1.37Å | 1.37Å | |
| C16 | C29 | sing | 1.52Å | 1.52Å | |
| N17 | C18 | sing | 1.45Å | 1.45Å | |
| C18 | O19 | doub | 1.18Å | 1.18Å | |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.60Å | 1.60Å | |
| C22 | N28 | sing | 1.60Å | 1.60Å | |
| C23 | N24 | sing | 1.50Å | 1.50Å | |
| C29 | C30 | sing | 1.50Å | 1.50Å | |
| C29 | C34 | sing | 1.52Å | 1.52Å | |
| C30 | O31 | sing | 1.50Å | 1.50Å | |
| O31 | C32 | sing | 1.49Å | 1.49Å | |
| C32 | O33 | doub | 1.20Å | 1.20Å | |
| C32 | C34 | sing | 1.50Å | 1.50Å | |
| C35 | C36 | sing | 1.39Å | 1.39Å | Aromatic |
| C36 | O37 | sing | 1.41Å | 1.41Å | |
| C36 | C39 | doub | 1.39Å | 1.39Å | Aromatic |
| O37 | C38 | sing | 1.40Å | 1.40Å | |
| C39 | O40 | sing | 1.40Å | 1.40Å | |
| C06 | C05 | sing | 1.70Å | 1.70Å | |
| C01 | H1 | sing | 1.10Å | 1.10Å | |
| C01 | H2 | sing | 1.10Å | 1.10Å | |
| C01 | H3 | sing | 1.10Å | 1.10Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C08 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.10Å | 1.10Å | |
| C11 | H7 | sing | 1.10Å | 1.10Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| N17 | H9 | sing | 1.00Å | 1.00Å | |
| C20 | H10 | sing | 1.10Å | 1.10Å | |
| C20 | H11 | sing | 1.10Å | 1.10Å | |
| C21 | H12 | sing | 1.10Å | 1.10Å | |
| C21 | H13 | sing | 1.10Å | 1.10Å | |
| C22 | H14 | sing | 1.10Å | 1.10Å | |
| C23 | H15 | sing | 1.10Å | 1.10Å | |
| C23 | H16 | sing | 1.10Å | 1.10Å | |
| C30 | H19 | sing | 1.10Å | 1.10Å | |
| C30 | H20 | sing | 1.10Å | 1.10Å | |
| C35 | H21 | sing | 1.08Å | 1.08Å | |
| C38 | H22 | sing | 1.10Å | 1.10Å | |
| C38 | H23 | sing | 1.10Å | 1.10Å | |
| C38 | H24 | sing | 1.10Å | 1.10Å | |
| O40 | H25 | sing | 0.95Å | 0.95Å | |
| C06 | H26 | sing | 1.10Å | 1.10Å | |
| C16 | H27 | sing | 1.10Å | 1.10Å | |
| C29 | H17 | sing | 1.10Å | 1.10Å | |
| C34 | H18 | sing | 1.10Å | 1.10Å | |
| N24 | H29 | sing | 1.00Å | 1.00Å | |
| N28 | H28 | sing | 1.00Å | 1.00Å | |
| HN1 | N24 | sing | 1.00Å | 1.00Å | |
| HN2 | N28 | sing | 1.00Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | PT | N24 | 90.2° | 90.2° |
| CL | PT | N28 | 175.3° | 175.3° |
| N24 | PT | N28 | 92.1° | 92.1° |
| PT | N24 | C23 | 105.4° | 105.4° |
| PT | N24 | H29 | 110.5° | 110.5° |
| PT | N24 | HN1 | 110.5° | 110.5° |
| PT | N28 | C22 | 94.2° | 94.2° |
| PT | N28 | H28 | 113.1° | 113.1° |
| PT | N28 | HN2 | 113.2° | 113.2° |
| C01 | O02 | C03 | 114.9° | 114.9° |
| O02 | C01 | H1 | 109.5° | 109.5° |
| O02 | C01 | H2 | 109.5° | 109.5° |
| O02 | C01 | H3 | 109.4° | 109.5° |
| O02 | C03 | C04 | 119.7° | 119.7° |
| O02 | C03 | C39 | 120.4° | 120.4° |
| C04 | C03 | C39 | 120.0° | 120.0° |
| C03 | C04 | C05 | 119.8° | 119.8° |
| C03 | C04 | H4 | 120.1° | 120.1° |
| C03 | C39 | C36 | 120.3° | 120.3° |
| C03 | C39 | O40 | 119.7° | 119.7° |
| C04 | C05 | C35 | 120.5° | 120.5° |
| C04 | C05 | C06 | 119.4° | 119.4° |
| C05 | C04 | H4 | 120.1° | 120.1° |
| C05 | C35 | C36 | 119.9° | 119.9° |
| C35 | C05 | C06 | 120.1° | 120.1° |
| C05 | C35 | H21 | 120.1° | 120.1° |
| C07 | C06 | C34 | 116.2° | 116.2° |
| C06 | C07 | C08 | 119.3° | 119.3° |
| C06 | C07 | C15 | 120.5° | 120.5° |
| C07 | C06 | C05 | 108.4° | 108.4° |
| C07 | C06 | H26 | 111.3° | 111.3° |
| C06 | C34 | C29 | 122.0° | 122.0° |
| C06 | C34 | C32 | 121.2° | 121.2° |
| C34 | C06 | C05 | 97.3° | 97.3° |
| C34 | C06 | H26 | 112.7° | 112.7° |
| C06 | C34 | H18 | 100.0° | 100.0° |
| C08 | C07 | C15 | 120.2° | 120.2° |
| C07 | C08 | C09 | 119.7° | 119.7° |
| C07 | C08 | H5 | 120.1° | 120.1° |
| C07 | C15 | C14 | 120.1° | 120.1° |
| C07 | C15 | C16 | 123.4° | 123.4° |
| C08 | C09 | O10 | 132.3° | 132.3° |
| C08 | C09 | C13 | 120.0° | 120.0° |
| C09 | C08 | H5 | 120.1° | 120.1° |
| O10 | C09 | C13 | 107.7° | 107.7° |
| C09 | O10 | C11 | 105.7° | 105.7° |
| C09 | C13 | O12 | 107.7° | 107.7° |
| C09 | C13 | C14 | 120.2° | 120.2° |
| O10 | C11 | O12 | 106.3° | 106.3° |
| O10 | C11 | H6 | 110.3° | 110.3° |
| O10 | C11 | H7 | 110.2° | 110.3° |
| C11 | O12 | C13 | 105.8° | 105.8° |
| O12 | C11 | H6 | 110.2° | 110.2° |
| O12 | C11 | H7 | 110.3° | 110.2° |
| O12 | C13 | C14 | 132.2° | 132.2° |
| C13 | C14 | C15 | 119.8° | 119.8° |
| C13 | C14 | H8 | 120.1° | 120.1° |
| C14 | C15 | C16 | 116.5° | 116.5° |
| C15 | C14 | H8 | 120.1° | 120.1° |
| C15 | C16 | N17 | 103.0° | 103.0° |
| C15 | C16 | C29 | 119.2° | 119.2° |
| C15 | C16 | H27 | 105.4° | 105.3° |
| N17 | C16 | C29 | 116.3° | 116.3° |
| C16 | N17 | C18 | 125.3° | 125.3° |
| C16 | N17 | H9 | 117.3° | 117.3° |
| N17 | C16 | H27 | 106.8° | 106.8° |
| C16 | C29 | C30 | 125.9° | 125.9° |
| C16 | C29 | C34 | 117.9° | 117.9° |
| C29 | C16 | H27 | 105.1° | 105.2° |
| C16 | C29 | H17 | 101.4° | 101.4° |
| N17 | C18 | O19 | 120.9° | 120.9° |
| N17 | C18 | C20 | 117.6° | 117.6° |
| C18 | N17 | H9 | 117.4° | 117.4° |
| O19 | C18 | C20 | 121.4° | 121.4° |
| C18 | C20 | C21 | 116.8° | 116.8° |
| C18 | C20 | H10 | 107.6° | 107.6° |
| C18 | C20 | H11 | 107.6° | 107.6° |
| C20 | C21 | C22 | 109.2° | 109.2° |
| C21 | C20 | H10 | 107.6° | 107.6° |
| C21 | C20 | H11 | 107.6° | 107.6° |
| C20 | C21 | H12 | 109.6° | 109.6° |
| C20 | C21 | H13 | 109.5° | 109.6° |
| C21 | C22 | C23 | 112.7° | 112.7° |
| C21 | C22 | N28 | 114.5° | 114.5° |
| C22 | C21 | H12 | 109.5° | 109.5° |
| C22 | C21 | H13 | 109.5° | 109.5° |
| C21 | C22 | H14 | 108.5° | 108.5° |
| C23 | C22 | N28 | 105.2° | 105.2° |
| C22 | C23 | N24 | 109.6° | 109.6° |
| C23 | C22 | H14 | 107.8° | 107.8° |
| C22 | C23 | H15 | 109.4° | 109.4° |
| C22 | C23 | H16 | 109.5° | 109.5° |
| N28 | C22 | H14 | 107.8° | 107.8° |
| C22 | N28 | H28 | 113.2° | 113.2° |
| C22 | N28 | HN2 | 113.1° | 113.1° |
| N24 | C23 | H15 | 109.5° | 109.5° |
| N24 | C23 | H16 | 109.5° | 109.5° |
| C23 | N24 | H29 | 110.5° | 110.5° |
| C23 | N24 | HN1 | 110.5° | 110.5° |
| C30 | C29 | C34 | 104.5° | 104.5° |
| C29 | C30 | O31 | 105.3° | 105.3° |
| C29 | C30 | H19 | 110.5° | 110.5° |
| C29 | C30 | H20 | 110.5° | 110.5° |
| C30 | C29 | H17 | 101.5° | 101.5° |
| C29 | C34 | C32 | 108.1° | 108.1° |
| C34 | C29 | H17 | 101.4° | 101.4° |
| C29 | C34 | H18 | 99.8° | 99.8° |
| C30 | O31 | C32 | 105.2° | 105.2° |
| O31 | C30 | H19 | 110.5° | 110.5° |
| O31 | C30 | H20 | 110.5° | 110.5° |
| O31 | C32 | O33 | 127.5° | 127.5° |
| O31 | C32 | C34 | 105.4° | 105.4° |
| O33 | C32 | C34 | 127.1° | 127.1° |
| C32 | C34 | H18 | 99.9° | 99.9° |
| C35 | C36 | O37 | 120.4° | 120.4° |
| C35 | C36 | C39 | 119.5° | 119.5° |
| C36 | C35 | H21 | 120.0° | 120.0° |
| O37 | C36 | C39 | 120.0° | 120.0° |
| C36 | O37 | C38 | 115.2° | 115.2° |
| C36 | C39 | O40 | 120.0° | 120.0° |
| O37 | C38 | H22 | 109.5° | 109.5° |
| O37 | C38 | H23 | 109.5° | 109.5° |
| O37 | C38 | H24 | 109.5° | 109.5° |
| C39 | O40 | H25 | 109.5° | 109.5° |
| C05 | C06 | H26 | 109.9° | 109.9° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.4° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H10 | C20 | H11 | 109.5° | 109.5° |
| H12 | C21 | H13 | 109.5° | 109.5° |
| H15 | C23 | H16 | 109.4° | 109.4° |
| H19 | C30 | H20 | 109.5° | 109.5° |
| H22 | C38 | H23 | 109.5° | 109.5° |
| H22 | C38 | H24 | 109.5° | 109.5° |
| H23 | C38 | H24 | 109.5° | 109.5° |
| H29 | N24 | HN1 | 109.5° | 109.5° |
| H28 | N28 | HN2 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | PT | N24 | N28 | 175.9° | 175.9° |
| CL | PT | N28 | C22 | 70.1° | 70.1° |
| CL | PT | N24 | C23 | 147.7° | 147.7° |
| CL | PT | N24 | H29 | 92.9° | 92.9° |
| CL | PT | N28 | H28 | 47.3° | 47.3° |
| CL | PT | N24 | HN1 | 28.4° | 28.4° |
| CL | PT | N28 | HN2 | 172.4° | 172.4° |
| PT | N24 | C23 | C22 | 3.0° | 3.0° |
| N24 | PT | N28 | C22 | 48.2° | 48.2° |
| PT | N24 | C23 | H29 | 119.4° | 119.4° |
| PT | N24 | C23 | HN1 | 119.3° | 119.3° |
| PT | N24 | C23 | H15 | 123.0° | 123.0° |
| PT | N24 | C23 | H16 | 117.1° | 117.1° |
| PT | N24 | H29 | HN1 | 121.9° | 121.9° |
| N24 | PT | N28 | H28 | 165.6° | 165.6° |
| N24 | PT | N28 | HN2 | 69.2° | 69.2° |
| PT | N28 | C22 | C21 | 179.1° | 179.1° |
| PT | N28 | C22 | C23 | 56.6° | 56.6° |
| PT | N28 | C22 | H28 | 117.4° | 117.4° |
| PT | N28 | C22 | HN2 | 117.4° | 117.4° |
| N28 | PT | N24 | C23 | 28.2° | 28.2° |
| PT | N28 | C22 | H14 | 58.2° | 58.2° |
| N28 | PT | N24 | H29 | 91.2° | 91.2° |
| PT | N28 | H28 | HN2 | 127.2° | 127.2° |
| N28 | PT | N24 | HN1 | 147.5° | 147.5° |
| C01 | O02 | C03 | C04 | 16.2° | 16.2° |
| C01 | O02 | C03 | C39 | 164.0° | 164.0° |
| O02 | C01 | H1 | H2 | 120.0° | 120.0° |
| O02 | C01 | H1 | H3 | 120.0° | 120.0° |
| O02 | C01 | H2 | H3 | 119.9° | 120.0° |
| O02 | C03 | C04 | C39 | 179.7° | 179.7° |
| O02 | C03 | C04 | C05 | 179.1° | 179.1° |
| O02 | C03 | C39 | C36 | 179.9° | 179.9° |
| O02 | C03 | C39 | O40 | 0.1° | 0.1° |
| C03 | O02 | C01 | H1 | 180.0° | 180.0° |
| C03 | O02 | C01 | H2 | 60.0° | 60.0° |
| C03 | O02 | C01 | H3 | 60.0° | 60.0° |
| O02 | C03 | C04 | H4 | 0.9° | 0.9° |
| C03 | C04 | C05 | H4 | 180.0° | 180.0° |
| C03 | C04 | C05 | C35 | 1.5° | 1.5° |
| C04 | C03 | C39 | C36 | 0.2° | 0.2° |
| C04 | C03 | C39 | O40 | 179.9° | 179.9° |
| C03 | C04 | C05 | C06 | 178.6° | 178.6° |
| C39 | C03 | C04 | C05 | 0.6° | 0.6° |
| C03 | C39 | C36 | C35 | 0.0° | 0.0° |
| C03 | C39 | C36 | O37 | 179.9° | 179.9° |
| C03 | C39 | C36 | O40 | 179.9° | 179.9° |
| C39 | C03 | C04 | H4 | 179.4° | 179.4° |
| C03 | C39 | O40 | H25 | 180.0° | 180.0° |
| C04 | C05 | C35 | C06 | 177.1° | 177.1° |
| C04 | C05 | C06 | C07 | 151.5° | 151.5° |
| C04 | C05 | C06 | C34 | 87.7° | 87.7° |
| C04 | C05 | C35 | C36 | 1.7° | 1.7° |
| C04 | C05 | C35 | H21 | 178.4° | 178.4° |
| C04 | C05 | C06 | H26 | 29.7° | 29.7° |
| C35 | C05 | C06 | C07 | 31.4° | 31.4° |
| C35 | C05 | C06 | C34 | 89.4° | 89.4° |
| C05 | C35 | C36 | H21 | 180.0° | 180.0° |
| C05 | C35 | C36 | O37 | 179.0° | 179.0° |
| C05 | C35 | C36 | C39 | 0.9° | 0.9° |
| C35 | C05 | C04 | H4 | 178.5° | 178.5° |
| C35 | C05 | C06 | H26 | 153.2° | 153.2° |
| C07 | C06 | C34 | C05 | 114.7° | 114.7° |
| C07 | C06 | C34 | H26 | 130.1° | 130.1° |
| C06 | C07 | C08 | C15 | 179.3° | 179.3° |
| C06 | C07 | C08 | C09 | 179.9° | 179.9° |
| C06 | C07 | C15 | C14 | 179.9° | 179.9° |
| C06 | C07 | C15 | C16 | 1.0° | 1.0° |
| C07 | C06 | C34 | C29 | 11.4° | 11.4° |
| C07 | C06 | C34 | C32 | 155.0° | 155.0° |
| C07 | C06 | C05 | H26 | 121.8° | 121.8° |
| C06 | C07 | C08 | H5 | 0.1° | 0.1° |
| C07 | C06 | C34 | H18 | 96.9° | 96.9° |
| C34 | C06 | C07 | C08 | 172.2° | 172.2° |
| C34 | C06 | C07 | C15 | 7.1° | 7.1° |
| C06 | C34 | C29 | C16 | 7.7° | 7.7° |
| C06 | C34 | C29 | C30 | 137.6° | 137.6° |
| C06 | C34 | C29 | C32 | 147.7° | 147.7° |
| C06 | C34 | C29 | H18 | 108.4° | 108.4° |
| C06 | C34 | C32 | O31 | 159.1° | 159.1° |
| C06 | C34 | C32 | O33 | 21.5° | 21.5° |
| C06 | C34 | C32 | H18 | 108.1° | 108.1° |
| C34 | C06 | C05 | H26 | 117.4° | 117.4° |
| C06 | C34 | C29 | H17 | 117.2° | 117.2° |
| C07 | C08 | C09 | H5 | 180.0° | 180.0° |
| C07 | C08 | C09 | O10 | 179.6° | 179.6° |
| C07 | C08 | C09 | C13 | 0.5° | 0.5° |
| C08 | C07 | C15 | C14 | 0.7° | 0.7° |
| C08 | C07 | C15 | C16 | 179.8° | 179.8° |
| C08 | C07 | C06 | C05 | 63.9° | 63.9° |
| C08 | C07 | C06 | H26 | 57.0° | 57.0° |
| C15 | C07 | C08 | C09 | 0.6° | 0.6° |
| C07 | C15 | C14 | C13 | 0.6° | 0.6° |
| C07 | C15 | C14 | C16 | 179.2° | 179.2° |
| C07 | C15 | C16 | N17 | 125.6° | 125.6° |
| C07 | C15 | C16 | C29 | 4.9° | 4.9° |
| C15 | C07 | C06 | C05 | 115.3° | 115.3° |
| C15 | C07 | C08 | H5 | 179.4° | 179.4° |
| C07 | C15 | C14 | H8 | 179.4° | 179.4° |
| C15 | C07 | C06 | H26 | 123.7° | 123.7° |
| C07 | C15 | C16 | H27 | 122.5° | 122.6° |
| C08 | C09 | O10 | C13 | 179.2° | 179.2° |
| C08 | C09 | O10 | C11 | 163.8° | 163.8° |
| C08 | C09 | C13 | O12 | 179.8° | 179.8° |
| C08 | C09 | C13 | C14 | 0.4° | 0.4° |
| C09 | O10 | C11 | O12 | 25.4° | 25.4° |
| O10 | C09 | C13 | O12 | 0.5° | 0.5° |
| O10 | C09 | C13 | C14 | 179.7° | 179.7° |
| O10 | C09 | C08 | H5 | 0.4° | 0.4° |
| C09 | O10 | C11 | H6 | 94.1° | 94.1° |
| C09 | O10 | C11 | H7 | 144.9° | 144.9° |
| C13 | C09 | O10 | C11 | 15.4° | 15.4° |
| C09 | C13 | O12 | C11 | 16.1° | 16.1° |
| C09 | C13 | O12 | C14 | 179.8° | 179.8° |
| C09 | C13 | C14 | C15 | 0.5° | 0.5° |
| C13 | C09 | C08 | H5 | 179.5° | 179.5° |
| C09 | C13 | C14 | H8 | 179.6° | 179.6° |
| O10 | C11 | O12 | H6 | 119.5° | 119.5° |
| O10 | C11 | O12 | H7 | 119.5° | 119.5° |
| O10 | C11 | O12 | C13 | 25.7° | 25.7° |
| O10 | C11 | H6 | H7 | 121.4° | 121.5° |
| C11 | O12 | C13 | C14 | 164.1° | 164.1° |
| O12 | C11 | H6 | H7 | 121.5° | 121.4° |
| O12 | C13 | C14 | C15 | 179.8° | 179.8° |
| C13 | O12 | C11 | H6 | 93.8° | 93.8° |
| C13 | O12 | C11 | H7 | 145.2° | 145.2° |
| O12 | C13 | C14 | H8 | 0.2° | 0.2° |
| C13 | C14 | C15 | H8 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 179.8° | 179.8° |
| C14 | C15 | C16 | N17 | 53.5° | 53.5° |
| C14 | C15 | C16 | C29 | 175.9° | 175.9° |
| C14 | C15 | C16 | H27 | 58.3° | 58.3° |
| C15 | C16 | N17 | C29 | 132.3° | 132.3° |
| C15 | C16 | N17 | H27 | 110.7° | 110.7° |
| C15 | C16 | C29 | H27 | 117.7° | 117.7° |
| C15 | C16 | N17 | C18 | 155.4° | 155.4° |
| C15 | C16 | C29 | C30 | 137.8° | 137.8° |
| C15 | C16 | C29 | C34 | 0.6° | 0.6° |
| C16 | C15 | C14 | H8 | 0.2° | 0.2° |
| C15 | C16 | N17 | H9 | 24.6° | 24.6° |
| C15 | C16 | C29 | H17 | 108.9° | 108.9° |
| N17 | C16 | C29 | H27 | 117.9° | 117.9° |
| C16 | N17 | C18 | H9 | 180.0° | 180.0° |
| C16 | N17 | C18 | O19 | 2.6° | 2.6° |
| C16 | N17 | C18 | C20 | 177.2° | 177.2° |
| N17 | C16 | C29 | C30 | 13.5° | 13.5° |
| N17 | C16 | C29 | C34 | 123.7° | 123.7° |
| N17 | C16 | C29 | H17 | 126.8° | 126.8° |
| C29 | C16 | N17 | C18 | 72.3° | 72.3° |
| C16 | C29 | C30 | C34 | 141.7° | 141.7° |
| C16 | C29 | C30 | H17 | 113.3° | 113.3° |
| C16 | C29 | C34 | H17 | 109.5° | 109.5° |
| C16 | C29 | C30 | O31 | 169.0° | 169.0° |
| C16 | C29 | C34 | C32 | 155.5° | 155.5° |
| C29 | C16 | N17 | H9 | 107.7° | 107.7° |
| C16 | C29 | C30 | H19 | 71.6° | 71.6° |
| C16 | C29 | C30 | H20 | 49.7° | 49.7° |
| C16 | C29 | C34 | H18 | 100.6° | 100.6° |
| N17 | C18 | O19 | C20 | 179.8° | 179.8° |
| N17 | C18 | C20 | C21 | 103.3° | 103.3° |
| N17 | C18 | C20 | H10 | 135.6° | 135.6° |
| N17 | C18 | C20 | H11 | 17.7° | 17.7° |
| C18 | N17 | C16 | H27 | 44.7° | 44.7° |
| O19 | C18 | C20 | C21 | 76.9° | 76.9° |
| O19 | C18 | N17 | H9 | 177.4° | 177.4° |
| O19 | C18 | C20 | H10 | 44.2° | 44.2° |
| O19 | C18 | C20 | H11 | 162.0° | 162.0° |
| C18 | C20 | C21 | H10 | 121.1° | 121.1° |
| C18 | C20 | C21 | H11 | 121.1° | 121.1° |
| C18 | C20 | C21 | C22 | 122.2° | 122.2° |
| C20 | C18 | N17 | H9 | 2.8° | 2.8° |
| C18 | C20 | H10 | H11 | 116.6° | 116.6° |
| C18 | C20 | C21 | H12 | 117.8° | 117.8° |
| C18 | C20 | C21 | H13 | 2.3° | 2.3° |
| C20 | C21 | C22 | H12 | 120.0° | 120.0° |
| C20 | C21 | C22 | H13 | 120.0° | 120.0° |
| C20 | C21 | C22 | C23 | 32.2° | 32.2° |
| C20 | C21 | C22 | N28 | 152.4° | 152.4° |
| C21 | C20 | H10 | H11 | 116.7° | 116.7° |
| C20 | C21 | H12 | H13 | 120.1° | 120.2° |
| C20 | C21 | C22 | H14 | 87.1° | 87.1° |
| C21 | C22 | C23 | N28 | 125.5° | 125.5° |
| C21 | C22 | C23 | H14 | 119.7° | 119.7° |
| C21 | C22 | N28 | H14 | 120.9° | 120.9° |
| C21 | C22 | C23 | N24 | 166.6° | 166.6° |
| C22 | C21 | C20 | H10 | 1.2° | 1.2° |
| C22 | C21 | C20 | H11 | 116.7° | 116.7° |
| C22 | C21 | H12 | H13 | 120.1° | 120.1° |
| C21 | C22 | C23 | H15 | 73.3° | 73.3° |
| C21 | C22 | C23 | H16 | 46.6° | 46.6° |
| C21 | C22 | N28 | H28 | 61.7° | 61.7° |
| C21 | C22 | N28 | HN2 | 63.4° | 63.4° |
| C23 | C22 | N28 | H14 | 114.8° | 114.8° |
| C22 | C23 | N24 | H15 | 120.0° | 120.0° |
| C22 | C23 | N24 | H16 | 120.0° | 120.0° |
| C23 | C22 | C21 | H12 | 87.8° | 87.8° |
| C23 | C22 | C21 | H13 | 152.1° | 152.1° |
| C22 | C23 | H15 | H16 | 119.9° | 119.9° |
| C22 | C23 | N24 | H29 | 122.3° | 122.3° |
| C23 | C22 | N28 | H28 | 174.0° | 174.0° |
| C22 | C23 | N24 | HN1 | 116.4° | 116.4° |
| C23 | C22 | N28 | HN2 | 60.9° | 60.9° |
| N28 | C22 | C23 | N24 | 41.2° | 41.2° |
| N28 | C22 | C21 | H12 | 32.4° | 32.4° |
| N28 | C22 | C21 | H13 | 87.7° | 87.7° |
| N28 | C22 | C23 | H15 | 161.2° | 161.2° |
| N28 | C22 | C23 | H16 | 78.9° | 78.9° |
| C22 | N28 | H28 | HN2 | 127.2° | 127.2° |
| N24 | C23 | C22 | H14 | 73.6° | 73.6° |
| N24 | C23 | H15 | H16 | 120.0° | 120.0° |
| C23 | N24 | H29 | HN1 | 121.9° | 121.9° |
| C30 | C29 | C34 | H17 | 105.1° | 105.1° |
| C29 | C30 | O31 | H19 | 119.3° | 119.3° |
| C29 | C30 | O31 | H20 | 119.3° | 119.3° |
| C29 | C30 | O31 | C32 | 34.9° | 34.9° |
| C30 | C29 | C34 | C32 | 10.1° | 10.1° |
| C29 | C30 | H19 | H20 | 121.9° | 121.9° |
| C30 | C29 | C16 | H27 | 104.5° | 104.5° |
| C30 | C29 | C34 | H18 | 114.0° | 114.0° |
| C34 | C29 | C30 | O31 | 27.4° | 27.4° |
| C29 | C34 | C32 | O31 | 11.0° | 11.0° |
| C29 | C34 | C32 | O33 | 169.5° | 169.5° |
| C29 | C34 | C32 | H18 | 103.9° | 103.9° |
| C29 | C34 | C06 | C05 | 126.1° | 126.1° |
| C34 | C29 | C30 | H19 | 146.7° | 146.7° |
| C34 | C29 | C30 | H20 | 92.0° | 92.0° |
| C29 | C34 | C06 | H26 | 118.8° | 118.8° |
| C34 | C29 | C16 | H27 | 118.4° | 118.3° |
| C30 | O31 | C32 | O33 | 152.5° | 152.5° |
| C30 | O31 | C32 | C34 | 28.1° | 28.1° |
| O31 | C30 | H19 | H20 | 121.9° | 121.9° |
| O31 | C30 | C29 | H17 | 77.7° | 77.7° |
| O31 | C32 | O33 | C34 | 179.3° | 179.3° |
| C32 | O31 | C30 | H19 | 154.2° | 154.2° |
| C32 | O31 | C30 | H20 | 84.5° | 84.5° |
| O31 | C32 | C34 | H18 | 92.8° | 92.8° |
| O33 | C32 | C34 | H18 | 86.6° | 86.6° |
| C32 | C34 | C06 | C05 | 90.4° | 90.4° |
| C32 | C34 | C06 | H26 | 24.8° | 24.8° |
| C32 | C34 | C29 | H17 | 95.0° | 95.0° |
| C35 | C36 | O37 | C39 | 179.9° | 179.9° |
| C35 | C36 | O37 | C38 | 14.2° | 14.2° |
| C35 | C36 | C39 | O40 | 180.0° | 180.0° |
| C36 | C35 | C05 | C06 | 178.7° | 178.7° |
| O37 | C36 | C39 | O40 | 0.1° | 0.1° |
| O37 | C36 | C35 | H21 | 1.0° | 1.0° |
| C36 | O37 | C38 | H22 | 180.0° | 180.0° |
| C36 | O37 | C38 | H23 | 60.0° | 60.0° |
| C36 | O37 | C38 | H24 | 60.0° | 60.0° |
| C39 | C36 | O37 | C38 | 165.9° | 165.9° |
| C39 | C36 | C35 | H21 | 179.1° | 179.1° |
| C36 | C39 | O40 | H25 | 0.1° | 0.1° |
| O37 | C38 | H22 | H23 | 120.0° | 120.0° |
| O37 | C38 | H22 | H24 | 120.0° | 120.0° |
| O37 | C38 | H23 | H24 | 120.0° | 120.0° |
| C06 | C05 | C04 | H4 | 1.4° | 1.4° |
| C06 | C05 | C35 | H21 | 1.3° | 1.3° |
| C05 | C06 | C34 | H18 | 17.7° | 17.7° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H9 | N17 | C16 | H27 | 135.3° | 135.3° |
| H10 | C20 | C21 | H12 | 121.1° | 121.1° |
| H10 | C20 | C21 | H13 | 118.8° | 118.7° |
| H11 | C20 | C21 | H12 | 3.3° | 3.3° |
| H11 | C20 | C21 | H13 | 123.3° | 123.4° |
| H12 | C21 | C22 | H14 | 152.9° | 152.9° |
| H13 | C21 | C22 | H14 | 32.8° | 32.8° |
| H14 | C22 | C23 | H15 | 46.4° | 46.4° |
| H14 | C22 | C23 | H16 | 166.3° | 166.3° |
| H14 | C22 | N28 | H28 | 59.2° | 59.2° |
| H14 | C22 | N28 | HN2 | 175.6° | 175.6° |
| H15 | C23 | N24 | H29 | 117.7° | 117.7° |
| H15 | C23 | N24 | HN1 | 3.6° | 3.6° |
| H16 | C23 | N24 | H29 | 2.3° | 2.3° |
| H16 | C23 | N24 | HN1 | 123.6° | 123.6° |
| H19 | C30 | C29 | H17 | 41.6° | 41.6° |
| H20 | C30 | C29 | H17 | 163.0° | 163.0° |
| H22 | C38 | H23 | H24 | 120.0° | 120.0° |
| H26 | C06 | C34 | H18 | 132.9° | 132.9° |
| H27 | C16 | C29 | H17 | 8.9° | 8.9° |
| H17 | C29 | C34 | H18 | 8.9° | 8.9° |
