N2R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | PT | sing | 2.30Å | 2.00Å | |
| N13 | PT | sing | 2.03Å | 1.90Å | |
| N13 | C02 | sing | 1.48Å | 1.60Å | |
| PT | CL2 | sing | 2.30Å | 2.00Å | |
| PT | N09 | sing | 2.03Å | 1.90Å | |
| C02 | C10 | sing | 1.53Å | 1.60Å | |
| C02 | C21 | sing | 1.54Å | 1.53Å | |
| O02 | C01 | sing | 1.43Å | 1.40Å | |
| O02 | C03 | sing | 1.38Å | 1.40Å | |
| C20 | C21 | sing | 1.54Å | 1.53Å | |
| C20 | C18 | sing | 1.52Å | 1.53Å | |
| O40 | C39 | sing | 1.37Å | 1.40Å | |
| C10 | N09 | sing | 1.46Å | 1.50Å | |
| C03 | C39 | doub | 1.39Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| C30 | O31 | sing | 1.46Å | 1.50Å | |
| C30 | C29 | sing | 1.53Å | 1.50Å | |
| C39 | C36 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | N17 | sing | 1.36Å | 1.46Å | |
| C18 | O19 | doub | 1.23Å | 1.18Å | |
| O31 | C32 | sing | 1.36Å | 1.50Å | |
| N17 | C16 | sing | 1.47Å | 1.39Å | |
| C04 | C05 | doub | 1.40Å | 1.39Å | Aromatic |
| C29 | C16 | sing | 1.54Å | 1.50Å | |
| C29 | C34 | sing | 1.53Å | 1.50Å | |
| C38 | O37 | sing | 1.43Å | 1.40Å | |
| C36 | O37 | sing | 1.38Å | 1.40Å | |
| C36 | C35 | doub | 1.40Å | 1.39Å | Aromatic |
| C32 | O33 | doub | 1.20Å | 1.20Å | |
| C32 | C34 | sing | 1.51Å | 1.50Å | |
| C16 | C15 | sing | 1.53Å | 1.50Å | |
| C05 | C35 | sing | 1.39Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.54Å | 1.46Å | |
| C34 | C06 | sing | 1.54Å | 1.50Å | |
| C15 | C14 | doub | 1.40Å | 1.50Å | Aromatic |
| C15 | C07 | sing | 1.40Å | 1.40Å | Aromatic |
| C06 | C07 | sing | 1.53Å | 1.60Å | |
| C14 | C13 | sing | 1.36Å | 1.50Å | Aromatic |
| C07 | C08 | doub | 1.41Å | 1.50Å | Aromatic |
| C13 | O12 | sing | 1.38Å | 1.40Å | |
| C13 | C09 | doub | 1.38Å | 1.40Å | Aromatic |
| C08 | C09 | sing | 1.36Å | 1.50Å | Aromatic |
| O12 | C11 | sing | 1.43Å | 1.40Å | |
| C09 | O10 | sing | 1.38Å | 1.40Å | |
| C11 | O10 | sing | 1.43Å | 1.40Å | |
| C01 | H1 | sing | 0.97Å | 1.10Å | |
| C01 | H2 | sing | 0.97Å | 1.10Å | |
| C01 | H3 | sing | 0.97Å | 1.10Å | |
| C02 | H4 | sing | 0.99Å | 1.10Å | |
| C04 | H5 | sing | 0.94Å | 1.08Å | |
| C06 | H6 | sing | 1.00Å | 1.10Å | |
| C08 | H7 | sing | 0.96Å | 1.08Å | |
| C10 | H9 | sing | 0.97Å | 1.10Å | |
| C10 | H10 | sing | 0.97Å | 1.10Å | |
| C11 | H11 | sing | 0.98Å | 1.10Å | |
| C14 | H13 | sing | 0.94Å | 1.08Å | |
| C16 | H14 | sing | 0.99Å | 1.10Å | |
| N17 | H15 | sing | 0.88Å | 1.00Å | |
| C20 | H16 | sing | 0.98Å | 1.10Å | |
| C20 | H17 | sing | 0.98Å | 1.10Å | |
| C21 | H18 | sing | 0.98Å | 1.10Å | |
| C21 | H19 | sing | 0.98Å | 1.10Å | |
| C29 | H20 | sing | 1.00Å | 1.10Å | |
| C30 | H21 | sing | 0.99Å | 1.10Å | |
| C30 | H22 | sing | 0.99Å | 1.10Å | |
| C34 | H23 | sing | 1.00Å | 1.10Å | |
| C35 | H24 | sing | 0.94Å | 1.08Å | |
| C38 | H25 | sing | 0.97Å | 1.10Å | |
| C38 | H26 | sing | 0.97Å | 1.10Å | |
| C38 | H27 | sing | 0.97Å | 1.10Å | |
| O40 | H28 | sing | 0.86Å | 0.95Å | |
| C11 | H8 | sing | 0.98Å | 1.10Å | |
| N09 | H29 | sing | 0.88Å | 1.00Å | |
| N13 | H12 | sing | 0.89Å | 1.00Å | |
| HN1 | N09 | sing | 0.88Å | 1.00Å | |
| HN2 | N13 | sing | 0.89Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | PT | N13 | 84.0° | 91.6° |
| CL1 | PT | CL2 | 100.1° | 89.9° |
| CL1 | PT | N09 | 176.0° | 176.1° |
| PT | N13 | C02 | 105.6° | 106.6° |
| N13 | PT | CL2 | 175.8° | 176.1° |
| N13 | PT | N09 | 92.0° | 86.8° |
| PT | N13 | H12 | 110.4° | 106.0° |
| PT | N13 | HN2 | 110.4° | 111.1° |
| N13 | C02 | C10 | 109.5° | 108.5° |
| N13 | C02 | C21 | 111.0° | 114.1° |
| N13 | C02 | H4 | 108.8° | 106.7° |
| C02 | N13 | H12 | 110.4° | 112.6° |
| C02 | N13 | HN2 | 110.4° | 111.4° |
| CL2 | PT | N09 | 83.8° | 91.5° |
| PT | N09 | C10 | 107.4° | 107.0° |
| PT | N09 | H29 | 110.0° | 106.5° |
| PT | N09 | HN1 | 110.0° | 111.3° |
| C10 | C02 | C21 | 109.0° | 111.3° |
| C02 | C10 | N09 | 113.8° | 110.6° |
| C10 | C02 | H4 | 108.9° | 107.9° |
| C02 | C10 | H9 | 108.4° | 109.6° |
| C02 | C10 | H10 | 108.4° | 109.4° |
| C02 | C21 | C20 | 113.8° | 115.6° |
| C21 | C02 | H4 | 109.7° | 108.0° |
| C02 | C21 | H18 | 108.4° | 108.6° |
| C02 | C21 | H19 | 108.4° | 108.0° |
| C01 | O02 | C03 | 113.9° | 122.2° |
| O02 | C01 | H1 | 109.5° | 109.6° |
| O02 | C01 | H2 | 109.4° | 109.4° |
| O02 | C01 | H3 | 109.4° | 109.6° |
| O02 | C03 | C39 | 119.9° | 112.5° |
| O02 | C03 | C04 | 120.2° | 127.8° |
| C21 | C20 | C18 | 112.0° | 113.1° |
| C21 | C20 | H16 | 108.8° | 108.8° |
| C21 | C20 | H17 | 108.9° | 109.9° |
| C20 | C21 | H18 | 108.3° | 108.7° |
| C20 | C21 | H19 | 108.4° | 108.4° |
| C20 | C18 | N17 | 120.6° | 115.7° |
| C20 | C18 | O19 | 119.6° | 120.1° |
| C18 | C20 | H16 | 108.9° | 108.6° |
| C18 | C20 | H17 | 108.8° | 108.9° |
| O40 | C39 | C03 | 119.9° | 118.4° |
| O40 | C39 | C36 | 120.1° | 121.5° |
| C39 | O40 | H28 | 109.5° | 112.5° |
| N09 | C10 | H9 | 108.4° | 109.5° |
| N09 | C10 | H10 | 108.4° | 109.4° |
| C10 | N09 | H29 | 110.0° | 111.4° |
| C10 | N09 | HN1 | 110.0° | 111.6° |
| C39 | C03 | C04 | 119.9° | 119.7° |
| C03 | C39 | C36 | 119.9° | 120.1° |
| C03 | C04 | C05 | 120.2° | 120.8° |
| C03 | C04 | H5 | 119.9° | 120.1° |
| O31 | C30 | C29 | 107.3° | 103.5° |
| C30 | O31 | C32 | 107.8° | 110.4° |
| O31 | C30 | H21 | 110.0° | 110.5° |
| O31 | C30 | H22 | 110.0° | 111.0° |
| C30 | C29 | C16 | 123.7° | 120.3° |
| C30 | C29 | C34 | 105.5° | 101.1° |
| C30 | C29 | H20 | 104.9° | 107.2° |
| C29 | C30 | H21 | 110.0° | 111.0° |
| C29 | C30 | H22 | 110.0° | 111.6° |
| C39 | C36 | O37 | 120.3° | 112.5° |
| C39 | C36 | C35 | 120.1° | 119.8° |
| N17 | C18 | O19 | 119.7° | 124.1° |
| C18 | N17 | C16 | 120.2° | 125.4° |
| C18 | N17 | H15 | 119.9° | 119.3° |
| O31 | C32 | O33 | 126.4° | 121.1° |
| O31 | C32 | C34 | 106.8° | 108.8° |
| N17 | C16 | C29 | 108.4° | 107.9° |
| N17 | C16 | C15 | 109.5° | 113.8° |
| N17 | C16 | H14 | 109.6° | 107.7° |
| C16 | N17 | H15 | 119.9° | 115.4° |
| C04 | C05 | C35 | 119.6° | 118.9° |
| C04 | C05 | C06 | 121.2° | 123.2° |
| C05 | C04 | H5 | 119.9° | 119.1° |
| C16 | C29 | C34 | 111.4° | 111.8° |
| C29 | C16 | C15 | 113.2° | 111.2° |
| C29 | C16 | H14 | 108.0° | 108.3° |
| C16 | C29 | H20 | 104.9° | 107.6° |
| C29 | C34 | C32 | 107.7° | 102.0° |
| C29 | C34 | C06 | 113.7° | 113.9° |
| C34 | C29 | H20 | 104.9° | 108.1° |
| C29 | C34 | H23 | 103.1° | 107.6° |
| C38 | O37 | C36 | 113.5° | 122.1° |
| O37 | C38 | H25 | 109.5° | 109.6° |
| O37 | C38 | H26 | 109.5° | 109.4° |
| O37 | C38 | H27 | 109.5° | 109.5° |
| O37 | C36 | C35 | 119.7° | 127.8° |
| C36 | C35 | C05 | 120.3° | 120.7° |
| C36 | C35 | H24 | 119.8° | 120.1° |
| O33 | C32 | C34 | 126.8° | 130.0° |
| C32 | C34 | C06 | 123.6° | 122.0° |
| C32 | C34 | H23 | 103.0° | 105.0° |
| C16 | C15 | C14 | 120.4° | 116.4° |
| C16 | C15 | C07 | 120.6° | 123.8° |
| C15 | C16 | H14 | 108.0° | 107.8° |
| C35 | C05 | C06 | 119.2° | 117.9° |
| C05 | C35 | H24 | 119.9° | 119.2° |
| C05 | C06 | C34 | 110.7° | 115.2° |
| C05 | C06 | C07 | 109.7° | 113.1° |
| C05 | C06 | H6 | 108.8° | 106.7° |
| C34 | C06 | C07 | 111.9° | 109.0° |
| C34 | C06 | H6 | 108.3° | 106.3° |
| C06 | C34 | H23 | 103.0° | 105.3° |
| C14 | C15 | C07 | 118.9° | 119.8° |
| C15 | C14 | C13 | 120.0° | 118.4° |
| C15 | C14 | H13 | 120.0° | 120.9° |
| C15 | C07 | C06 | 121.8° | 123.2° |
| C15 | C07 | C08 | 121.4° | 120.2° |
| C06 | C07 | C08 | 116.9° | 116.7° |
| C07 | C06 | H6 | 107.2° | 105.9° |
| C14 | C13 | O12 | 131.7° | 128.1° |
| C14 | C13 | C09 | 120.5° | 121.9° |
| C13 | C14 | H13 | 120.0° | 120.7° |
| C07 | C08 | C09 | 119.3° | 118.1° |
| C07 | C08 | H7 | 120.4° | 120.8° |
| O12 | C13 | C09 | 107.8° | 110.0° |
| C13 | O12 | C11 | 107.6° | 105.7° |
| C13 | C09 | C08 | 119.9° | 121.6° |
| C13 | C09 | O10 | 108.5° | 110.1° |
| C08 | C09 | O10 | 131.5° | 128.3° |
| C09 | C08 | H7 | 120.4° | 121.1° |
| O12 | C11 | O10 | 108.3° | 108.7° |
| O12 | C11 | H11 | 109.8° | 109.9° |
| O12 | C11 | H8 | 109.8° | 109.9° |
| C09 | O10 | C11 | 107.2° | 105.6° |
| O10 | C11 | H11 | 109.8° | 109.9° |
| O10 | C11 | H8 | 109.8° | 109.9° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.6° |
| H2 | C01 | H3 | 109.5° | 109.3° |
| H9 | C10 | H10 | 109.5° | 108.4° |
| H11 | C11 | H8 | 109.4° | 108.5° |
| H16 | C20 | H17 | 109.5° | 107.3° |
| H18 | C21 | H19 | 109.5° | 107.2° |
| H21 | C30 | H22 | 109.5° | 109.1° |
| H25 | C38 | H26 | 109.5° | 109.4° |
| H25 | C38 | H27 | 109.5° | 109.5° |
| H26 | C38 | H27 | 109.5° | 109.4° |
| H29 | N09 | HN1 | 109.5° | 108.9° |
| H12 | N13 | HN2 | 109.5° | 109.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | PT | N13 | CL2 | 178.6° | 112.5° |
| CL1 | PT | N13 | N09 | 179.3° | 176.4° |
| CL1 | PT | N13 | C02 | 148.5° | 159.8° |
| CL1 | PT | CL2 | N09 | 179.3° | 176.3° |
| CL1 | PT | N09 | C10 | 19.8° | 76.7° |
| CL1 | PT | N09 | H29 | 99.8° | 42.6° |
| CL1 | PT | N13 | H12 | 29.1° | 80.1° |
| CL1 | PT | N09 | HN1 | 139.5° | 161.2° |
| CL1 | PT | N13 | HN2 | 92.1° | 38.3° |
| PT | N13 | C02 | H12 | 119.4° | 115.8° |
| PT | N13 | C02 | HN2 | 119.4° | 121.3° |
| N13 | PT | CL2 | N09 | 0.7° | 63.8° |
| PT | N13 | C02 | C10 | 23.9° | 39.3° |
| PT | N13 | C02 | C21 | 144.3° | 164.0° |
| N13 | PT | N09 | C10 | 30.0° | 10.4° |
| PT | N13 | C02 | H4 | 94.9° | 76.7° |
| N13 | PT | N09 | H29 | 89.6° | 108.9° |
| PT | N13 | H12 | HN2 | 121.8° | 119.7° |
| N13 | PT | N09 | HN1 | 149.7° | 132.5° |
| C02 | N13 | PT | CL2 | 30.1° | 47.3° |
| C02 | N13 | PT | N09 | 30.8° | 16.6° |
| N13 | C02 | C10 | C21 | 121.6° | 126.4° |
| N13 | C02 | C10 | H4 | 118.8° | 115.3° |
| N13 | C02 | C21 | H4 | 120.2° | 118.6° |
| N13 | C02 | C21 | C20 | 43.3° | 71.9° |
| N13 | C02 | C10 | N09 | 2.5° | 51.2° |
| N13 | C02 | C10 | H9 | 123.1° | 69.6° |
| N13 | C02 | C10 | H10 | 118.1° | 171.7° |
| N13 | C02 | C21 | H18 | 77.4° | 165.7° |
| N13 | C02 | C21 | H19 | 163.9° | 49.7° |
| C02 | N13 | H12 | HN2 | 121.8° | 124.2° |
| CL2 | PT | N09 | C10 | 149.9° | 173.1° |
| CL2 | PT | N09 | H29 | 90.4° | 67.6° |
| CL2 | PT | N13 | H12 | 149.4° | 167.4° |
| CL2 | PT | N09 | HN1 | 30.3° | 51.0° |
| CL2 | PT | N13 | HN2 | 89.3° | 74.1° |
| PT | N09 | C10 | C02 | 20.4° | 35.2° |
| PT | N09 | C10 | H29 | 119.7° | 116.1° |
| PT | N09 | C10 | HN1 | 119.7° | 122.0° |
| PT | N09 | C10 | H9 | 100.2° | 85.7° |
| PT | N09 | C10 | H10 | 141.0° | 155.7° |
| PT | N09 | H29 | HN1 | 121.0° | 120.2° |
| N09 | PT | N13 | H12 | 150.2° | 103.5° |
| N09 | PT | N13 | HN2 | 88.6° | 138.1° |
| C10 | C02 | C21 | H4 | 119.1° | 118.3° |
| C10 | C02 | C21 | C20 | 164.0° | 164.9° |
| C02 | C10 | N09 | H9 | 120.6° | 120.8° |
| C02 | C10 | N09 | H10 | 120.6° | 120.6° |
| C02 | C10 | H9 | H10 | 118.0° | 119.3° |
| C10 | C02 | C21 | H18 | 43.3° | 42.5° |
| C10 | C02 | C21 | H19 | 75.4° | 73.5° |
| C02 | C10 | N09 | H29 | 99.3° | 80.9° |
| C10 | C02 | N13 | H12 | 143.3° | 76.4° |
| C02 | C10 | N09 | HN1 | 140.1° | 157.1° |
| C10 | C02 | N13 | HN2 | 95.5° | 160.6° |
| C02 | C21 | C20 | H18 | 120.7° | 122.4° |
| C02 | C21 | C20 | H19 | 120.7° | 121.4° |
| C02 | C21 | C20 | C18 | 118.1° | 129.0° |
| C21 | C02 | C10 | N09 | 124.0° | 177.5° |
| C21 | C02 | C10 | H9 | 115.3° | 56.7° |
| C21 | C02 | C10 | H10 | 3.4° | 61.9° |
| C02 | C21 | C20 | H16 | 121.5° | 110.2° |
| C02 | C21 | C20 | H17 | 2.3° | 7.0° |
| C02 | C21 | H18 | H19 | 118.0° | 116.5° |
| C21 | C02 | N13 | H12 | 96.3° | 48.3° |
| C21 | C02 | N13 | HN2 | 24.9° | 74.7° |
| C01 | O02 | C03 | C39 | 130.6° | 179.6° |
| C01 | O02 | C03 | C04 | 49.7° | 0.7° |
| O02 | C01 | H1 | H2 | 120.0° | 119.9° |
| O02 | C01 | H1 | H3 | 120.0° | 120.2° |
| O02 | C01 | H2 | H3 | 120.0° | 120.0° |
| O02 | C03 | C39 | O40 | 0.3° | 0.0° |
| O02 | C03 | C39 | C04 | 179.7° | 179.7° |
| O02 | C03 | C39 | C36 | 180.0° | 180.0° |
| O02 | C03 | C04 | C05 | 179.7° | 179.6° |
| C03 | O02 | C01 | H1 | 180.0° | 60.4° |
| C03 | O02 | C01 | H2 | 60.0° | 179.7° |
| C03 | O02 | C01 | H3 | 60.0° | 59.9° |
| O02 | C03 | C04 | H5 | 0.3° | 0.7° |
| C21 | C20 | C18 | H16 | 120.4° | 120.9° |
| C21 | C20 | C18 | H17 | 120.4° | 122.6° |
| C21 | C20 | C18 | N17 | 130.4° | 86.6° |
| C21 | C20 | C18 | O19 | 49.7° | 94.0° |
| C20 | C21 | C02 | H4 | 76.9° | 46.7° |
| C21 | C20 | H16 | H17 | 118.9° | 118.9° |
| C20 | C21 | H18 | H19 | 118.0° | 116.9° |
| C20 | C18 | N17 | O19 | 180.0° | 179.4° |
| C20 | C18 | N17 | C16 | 179.8° | 177.3° |
| C20 | C18 | N17 | H15 | 0.2° | 3.2° |
| C18 | C20 | H16 | H17 | 118.8° | 117.6° |
| C18 | C20 | C21 | H18 | 2.5° | 6.7° |
| C18 | C20 | C21 | H19 | 121.2° | 109.6° |
| O40 | C39 | C03 | C36 | 179.7° | 180.0° |
| O40 | C39 | C03 | C04 | 180.0° | 179.8° |
| O40 | C39 | C36 | O37 | 0.3° | 0.0° |
| O40 | C39 | C36 | C35 | 180.0° | 179.9° |
| N09 | C10 | C02 | H4 | 116.3° | 64.1° |
| N09 | C10 | H9 | H10 | 118.0° | 119.2° |
| C10 | N09 | H29 | HN1 | 121.0° | 123.5° |
| C39 | C03 | C04 | C05 | 0.0° | 0.7° |
| C03 | C39 | C36 | O37 | 180.0° | 180.0° |
| C03 | C39 | C36 | C35 | 0.3° | 0.1° |
| C39 | C03 | C04 | H5 | 180.0° | 179.6° |
| C03 | C39 | O40 | H28 | 180.0° | 180.0° |
| C04 | C03 | C39 | C36 | 0.3° | 0.2° |
| C03 | C04 | C05 | H5 | 180.0° | 179.0° |
| C03 | C04 | C05 | C35 | 0.3° | 0.9° |
| C03 | C04 | C05 | C06 | 179.9° | 179.9° |
| O31 | C30 | C29 | H21 | 119.7° | 118.6° |
| O31 | C30 | C29 | H22 | 119.6° | 119.5° |
| O31 | C30 | C29 | C16 | 151.4° | 158.8° |
| O31 | C30 | C29 | C34 | 21.5° | 35.1° |
| C30 | O31 | C32 | O33 | 179.3° | 179.9° |
| C30 | O31 | C32 | C34 | 0.4° | 1.1° |
| O31 | C30 | C29 | H20 | 88.9° | 78.0° |
| O31 | C30 | H21 | H22 | 121.0° | 122.3° |
| C29 | C30 | O31 | C32 | 13.7° | 22.0° |
| C30 | C29 | C16 | N17 | 59.4° | 74.9° |
| C30 | C29 | C16 | C34 | 127.4° | 118.4° |
| C30 | C29 | C16 | H20 | 119.7° | 123.0° |
| C30 | C29 | C34 | H20 | 110.4° | 112.4° |
| C30 | C29 | C34 | C32 | 21.3° | 35.2° |
| C30 | C29 | C16 | C15 | 178.8° | 159.7° |
| C30 | C29 | C34 | C06 | 162.1° | 168.6° |
| C30 | C29 | C16 | H14 | 59.3° | 41.5° |
| C29 | C30 | H21 | H22 | 121.0° | 123.4° |
| C30 | C29 | C34 | H23 | 87.1° | 75.0° |
| C39 | C36 | O37 | C38 | 115.4° | 179.9° |
| C39 | C36 | O37 | C35 | 179.7° | 179.9° |
| C39 | C36 | C35 | C05 | 0.1° | 0.4° |
| C39 | C36 | C35 | H24 | 180.0° | 179.8° |
| C36 | C39 | O40 | H28 | 0.3° | 0.0° |
| C18 | N17 | C16 | H15 | 180.0° | 179.5° |
| C18 | N17 | C16 | C29 | 93.7° | 96.0° |
| C18 | N17 | C16 | C15 | 142.3° | 140.2° |
| C18 | N17 | C16 | H14 | 24.0° | 20.8° |
| N17 | C18 | C20 | H16 | 10.0° | 152.5° |
| N17 | C18 | C20 | H17 | 109.2° | 36.0° |
| O19 | C18 | N17 | C16 | 0.2° | 3.3° |
| O19 | C18 | N17 | H15 | 179.8° | 176.2° |
| O19 | C18 | C20 | H16 | 170.0° | 26.9° |
| O19 | C18 | C20 | H17 | 70.7° | 143.5° |
| O31 | C32 | C34 | C29 | 13.0° | 23.7° |
| O31 | C32 | O33 | C34 | 179.6° | 178.7° |
| O31 | C32 | C34 | C06 | 148.9° | 152.1° |
| C32 | O31 | C30 | H21 | 105.9° | 141.0° |
| C32 | O31 | C30 | H22 | 133.4° | 97.8° |
| O31 | C32 | C34 | H23 | 95.5° | 88.5° |
| N17 | C16 | C29 | C15 | 121.8° | 125.4° |
| N17 | C16 | C29 | H14 | 118.7° | 116.4° |
| N17 | C16 | C29 | C34 | 173.2° | 166.7° |
| N17 | C16 | C15 | H14 | 119.3° | 119.4° |
| N17 | C16 | C15 | C14 | 37.2° | 47.1° |
| N17 | C16 | C15 | C07 | 142.7° | 134.8° |
| N17 | C16 | C29 | H20 | 60.3° | 48.1° |
| C04 | C05 | C35 | C36 | 0.3° | 0.8° |
| C04 | C05 | C35 | C06 | 179.5° | 179.0° |
| C04 | C05 | C06 | C34 | 88.1° | 83.3° |
| C04 | C05 | C06 | C07 | 35.9° | 43.0° |
| C04 | C05 | C06 | H6 | 153.0° | 159.0° |
| C04 | C05 | C35 | H24 | 179.7° | 179.7° |
| C16 | C29 | C34 | H20 | 112.9° | 118.3° |
| C16 | C29 | C34 | C32 | 158.0° | 164.5° |
| C29 | C16 | C15 | H14 | 119.6° | 118.6° |
| C16 | C29 | C34 | C06 | 61.2° | 62.1° |
| C29 | C16 | C15 | C14 | 158.4° | 169.2° |
| C29 | C16 | C15 | C07 | 21.6° | 12.8° |
| C29 | C16 | N17 | H15 | 86.3° | 83.5° |
| C16 | C29 | C30 | H21 | 31.7° | 82.7° |
| C16 | C29 | C30 | H22 | 89.0° | 39.3° |
| C16 | C29 | C34 | H23 | 49.5° | 54.2° |
| C29 | C34 | C32 | O33 | 167.3° | 157.5° |
| C29 | C34 | C32 | C06 | 135.9° | 128.4° |
| C29 | C34 | C32 | H23 | 108.5° | 112.2° |
| C34 | C29 | C16 | C15 | 51.4° | 41.3° |
| C29 | C34 | C06 | C05 | 85.1° | 80.9° |
| C29 | C34 | C06 | H23 | 110.8° | 117.7° |
| C29 | C34 | C06 | C07 | 37.6° | 47.4° |
| C29 | C34 | C06 | H6 | 155.6° | 161.2° |
| C34 | C29 | C16 | H14 | 68.1° | 76.9° |
| C34 | C29 | C30 | H21 | 98.2° | 153.7° |
| C34 | C29 | C30 | H22 | 141.1° | 84.3° |
| C38 | O37 | C36 | C35 | 64.3° | 0.0° |
| O37 | C38 | H25 | H26 | 120.0° | 119.9° |
| O37 | C38 | H25 | H27 | 120.0° | 120.2° |
| O37 | C38 | H26 | H27 | 120.0° | 120.0° |
| O37 | C36 | C35 | C05 | 179.7° | 179.7° |
| O37 | C36 | C35 | H24 | 0.3° | 0.2° |
| C36 | O37 | C38 | H25 | 180.0° | 60.0° |
| C36 | O37 | C38 | H26 | 60.0° | 180.0° |
| C36 | O37 | C38 | H27 | 60.0° | 60.1° |
| C36 | C35 | C05 | H24 | 180.0° | 179.5° |
| C36 | C35 | C05 | C06 | 179.9° | 179.8° |
| O33 | C32 | C34 | C06 | 31.4° | 29.1° |
| O33 | C32 | C34 | H23 | 84.2° | 90.3° |
| C32 | C34 | C06 | C05 | 48.5° | 42.1° |
| C32 | C34 | C06 | H23 | 115.6° | 119.3° |
| C32 | C34 | C06 | C07 | 171.3° | 170.4° |
| C32 | C34 | C06 | H6 | 70.7° | 75.8° |
| C32 | C34 | C29 | H20 | 89.1° | 77.2° |
| C16 | C15 | C14 | C07 | 180.0° | 178.1° |
| C16 | C15 | C07 | C06 | 0.3° | 1.1° |
| C16 | C15 | C14 | C13 | 179.9° | 179.6° |
| C16 | C15 | C07 | C08 | 179.8° | 179.1° |
| C16 | C15 | C14 | H13 | 0.1° | 1.6° |
| C15 | C16 | N17 | H15 | 37.7° | 40.4° |
| C15 | C16 | C29 | H20 | 61.4° | 77.3° |
| C35 | C05 | C06 | C34 | 92.4° | 97.8° |
| C35 | C05 | C06 | C07 | 143.6° | 136.0° |
| C35 | C05 | C04 | H5 | 179.7° | 179.9° |
| C35 | C05 | C06 | H6 | 26.6° | 20.0° |
| C05 | C06 | C34 | C07 | 122.7° | 128.3° |
| C05 | C06 | C34 | H6 | 119.3° | 117.9° |
| C05 | C06 | C07 | C15 | 115.6° | 111.9° |
| C05 | C06 | C07 | H6 | 118.1° | 116.5° |
| C05 | C06 | C07 | C08 | 64.9° | 67.9° |
| C06 | C05 | C04 | H5 | 0.1° | 1.1° |
| C05 | C06 | C34 | H23 | 164.1° | 161.4° |
| C06 | C05 | C35 | H24 | 0.1° | 0.7° |
| C34 | C06 | C07 | C15 | 7.6° | 17.6° |
| C34 | C06 | C07 | H6 | 118.7° | 114.0° |
| C34 | C06 | C07 | C08 | 171.9° | 162.6° |
| C06 | C34 | C29 | H20 | 51.6° | 56.2° |
| C14 | C15 | C07 | C06 | 179.8° | 179.0° |
| C15 | C14 | C13 | H13 | 180.0° | 178.8° |
| C14 | C15 | C07 | C08 | 0.3° | 1.2° |
| C15 | C14 | C13 | O12 | 179.8° | 179.3° |
| C15 | C14 | C13 | C09 | 0.2° | 1.0° |
| C14 | C15 | C16 | H14 | 82.0° | 72.2° |
| C15 | C07 | C06 | C08 | 179.5° | 179.8° |
| C07 | C15 | C14 | C13 | 0.1° | 1.5° |
| C15 | C07 | C08 | C09 | 0.5° | 0.3° |
| C15 | C07 | C06 | H6 | 126.3° | 131.6° |
| C15 | C07 | C08 | H7 | 179.5° | 179.4° |
| C07 | C15 | C14 | H13 | 179.9° | 179.7° |
| C07 | C15 | C16 | H14 | 98.0° | 105.8° |
| C06 | C07 | C08 | C09 | 180.0° | 179.9° |
| C06 | C07 | C08 | H7 | 0.0° | 0.4° |
| C07 | C06 | C34 | H23 | 73.2° | 70.3° |
| C14 | C13 | O12 | C09 | 179.7° | 179.8° |
| C14 | C13 | C09 | C08 | 0.4° | 0.1° |
| C14 | C13 | O12 | C11 | 175.4° | 179.9° |
| C14 | C13 | C09 | O10 | 180.0° | 179.8° |
| C07 | C08 | C09 | C13 | 0.6° | 0.2° |
| C07 | C08 | C09 | H7 | 180.0° | 179.7° |
| C07 | C08 | C09 | O10 | 179.9° | 179.9° |
| C08 | C07 | C06 | H6 | 53.2° | 48.6° |
| O12 | C13 | C09 | C08 | 179.9° | 179.9° |
| O12 | C13 | C09 | O10 | 0.2° | 0.0° |
| C13 | O12 | C11 | O10 | 7.2° | 0.2° |
| C13 | O12 | C11 | H11 | 127.0° | 120.1° |
| O12 | C13 | C14 | H13 | 0.2° | 0.4° |
| C13 | O12 | C11 | H8 | 112.7° | 120.5° |
| C13 | C09 | C08 | O10 | 179.6° | 179.9° |
| C09 | C13 | O12 | C11 | 4.3° | 0.1° |
| C13 | C09 | O10 | C11 | 4.6° | 0.1° |
| C13 | C09 | C08 | H7 | 179.5° | 179.9° |
| C09 | C13 | C14 | H13 | 179.8° | 179.8° |
| C08 | C09 | O10 | C11 | 175.8° | 180.0° |
| O12 | C11 | O10 | C09 | 7.3° | 0.2° |
| O12 | C11 | O10 | H11 | 119.8° | 120.3° |
| O12 | C11 | O10 | H8 | 119.8° | 120.3° |
| O12 | C11 | H11 | H8 | 120.5° | 120.3° |
| O10 | C09 | C08 | H7 | 0.1° | 0.2° |
| C09 | O10 | C11 | H11 | 127.1° | 120.1° |
| C09 | O10 | C11 | H8 | 112.5° | 120.6° |
| O10 | C11 | H11 | H8 | 120.6° | 120.1° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C02 | C10 | H9 | 4.3° | 175.1° |
| H4 | C02 | C10 | H10 | 123.0° | 56.4° |
| H4 | C02 | C21 | H18 | 162.4° | 75.8° |
| H4 | C02 | C21 | H19 | 43.7° | 168.2° |
| H4 | C02 | N13 | H12 | 24.5° | 167.6° |
| H4 | C02 | N13 | HN2 | 145.7° | 44.6° |
| H6 | C06 | C34 | H23 | 44.8° | 43.5° |
| H9 | C10 | N09 | H29 | 140.1° | 158.2° |
| H9 | C10 | N09 | HN1 | 19.4° | 36.3° |
| H10 | C10 | N09 | H29 | 21.4° | 39.6° |
| H10 | C10 | N09 | HN1 | 99.3° | 82.3° |
| H14 | C16 | N17 | H15 | 156.0° | 159.7° |
| H14 | C16 | C29 | H20 | 179.0° | 164.5° |
| H16 | C20 | C21 | H18 | 117.8° | 127.4° |
| H16 | C20 | C21 | H19 | 0.8° | 11.2° |
| H17 | C20 | C21 | H18 | 122.9° | 115.3° |
| H17 | C20 | C21 | H19 | 118.4° | 128.4° |
| H20 | C29 | C30 | H21 | 151.4° | 40.6° |
| H20 | C29 | C30 | H22 | 30.7° | 162.5° |
| H20 | C29 | C34 | H23 | 162.4° | 172.6° |
| H25 | C38 | H26 | H27 | 120.0° | 120.0° |






