NWF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C18 | sing | 1.53Å | 1.53Å | |
| C21 | S22 | sing | 1.81Å | 1.81Å | |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| S22 | C23 | sing | 1.80Å | 1.80Å | |
| C16 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.52Å | 1.52Å | |
| C23 | C24 | sing | 1.58Å | 1.58Å | |
| C14 | S13 | sing | 1.81Å | 1.81Å | |
| C24 | C27 | sing | 1.54Å | 1.54Å | |
| C24 | C25 | sing | 1.54Å | 1.54Å | |
| C27 | N26 | sing | 1.59Å | 1.59Å | |
| S13 | C12 | sing | 1.81Å | 1.81Å | |
| C25 | N26 | sing | 1.61Å | 1.61Å | |
| C01 | C02 | sing | 1.52Å | 1.52Å | |
| C01 | C06 | sing | 1.53Å | 1.53Å | |
| N26 | C28 | sing | 1.42Å | 1.42Å | |
| C02 | C03 | sing | 1.51Å | 1.51Å | |
| C12 | C11 | sing | 1.52Å | 1.52Å | |
| C28 | C06 | sing | 1.52Å | 1.52Å | |
| C28 | O29 | doub | 1.18Å | 1.18Å | |
| C06 | C05 | sing | 1.54Å | 1.54Å | |
| C03 | N04 | sing | 1.44Å | 1.44Å | |
| C11 | C10 | sing | 1.52Å | 1.52Å | |
| N04 | C05 | sing | 1.45Å | 1.45Å | |
| N04 | C07 | sing | 1.46Å | 1.46Å | |
| C10 | O31 | doub | 1.17Å | 1.17Å | |
| C10 | N09 | sing | 1.45Å | 1.45Å | |
| O30 | C07 | doub | 1.18Å | 1.18Å | |
| C07 | C08 | sing | 1.54Å | 1.54Å | |
| N09 | C08 | sing | 1.47Å | 1.47Å | |
| C08 | C32 | sing | 1.53Å | 1.53Å | |
| C32 | N33 | sing | 1.44Å | 1.44Å | |
| N33 | C34 | sing | 1.45Å | 1.45Å | |
| O40 | C34 | doub | 1.18Å | 1.18Å | |
| C34 | C35 | sing | 1.52Å | 1.52Å | |
| S36 | C35 | sing | 1.55Å | 1.55Å | Aromatic |
| S36 | C37 | sing | 1.55Å | 1.55Å | Aromatic |
| C35 | C39 | doub | 1.44Å | 1.44Å | Aromatic |
| CL41 | C37 | sing | 1.77Å | 1.77Å | |
| C37 | C38 | doub | 1.44Å | 1.44Å | Aromatic |
| C39 | C38 | sing | 1.59Å | 1.59Å | Aromatic |
| C17 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.08Å | 1.08Å | |
| C24 | H3 | sing | 1.10Å | 1.10Å | |
| C11 | H4 | sing | 1.10Å | 1.10Å | |
| C11 | H5 | sing | 1.10Å | 1.10Å | |
| C12 | H6 | sing | 1.10Å | 1.10Å | |
| C12 | H7 | sing | 1.10Å | 1.10Å | |
| C14 | H8 | sing | 1.10Å | 1.10Å | |
| C14 | H9 | sing | 1.10Å | 1.10Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H11 | sing | 1.08Å | 1.08Å | |
| C23 | H12 | sing | 1.10Å | 1.10Å | |
| C23 | H13 | sing | 1.10Å | 1.10Å | |
| C25 | H14 | sing | 1.10Å | 1.10Å | |
| C25 | H15 | sing | 1.10Å | 1.10Å | |
| C27 | H16 | sing | 1.10Å | 1.10Å | |
| C27 | H17 | sing | 1.10Å | 1.10Å | |
| C01 | H18 | sing | 1.10Å | 1.10Å | |
| C01 | H19 | sing | 1.10Å | 1.10Å | |
| C02 | H20 | sing | 1.10Å | 1.10Å | |
| C02 | H21 | sing | 1.10Å | 1.10Å | |
| C03 | H22 | sing | 1.10Å | 1.10Å | |
| C03 | H23 | sing | 1.10Å | 1.10Å | |
| C05 | H24 | sing | 1.10Å | 1.10Å | |
| C05 | H25 | sing | 1.10Å | 1.10Å | |
| C06 | H26 | sing | 1.10Å | 1.10Å | |
| C08 | H27 | sing | 1.10Å | 1.10Å | |
| N09 | H28 | sing | 1.00Å | 1.00Å | |
| C21 | H29 | sing | 1.10Å | 1.10Å | |
| C21 | H30 | sing | 1.10Å | 1.10Å | |
| C32 | H31 | sing | 1.10Å | 1.10Å | |
| C32 | H32 | sing | 1.10Å | 1.10Å | |
| N33 | H33 | sing | 1.00Å | 1.00Å | |
| C38 | H34 | sing | 1.08Å | 1.08Å | |
| C39 | H35 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C21 | S22 | 114.1° | 114.1° |
| C21 | C18 | C17 | 120.0° | 120.0° |
| C21 | C18 | C19 | 119.8° | 119.8° |
| C18 | C21 | H29 | 108.3° | 108.3° |
| C18 | C21 | H30 | 108.3° | 108.3° |
| C21 | S22 | C23 | 110.2° | 110.2° |
| S22 | C21 | H29 | 108.3° | 108.3° |
| S22 | C21 | H30 | 108.3° | 108.3° |
| C18 | C17 | C16 | 120.0° | 120.0° |
| C17 | C18 | C19 | 120.1° | 120.1° |
| C18 | C17 | H1 | 120.0° | 120.0° |
| C17 | C16 | C15 | 119.9° | 119.9° |
| C16 | C17 | H1 | 120.0° | 120.0° |
| C17 | C16 | H10 | 120.1° | 120.1° |
| C18 | C19 | C20 | 119.9° | 119.9° |
| C18 | C19 | H11 | 120.0° | 120.0° |
| S22 | C23 | C24 | 104.4° | 104.4° |
| S22 | C23 | H12 | 110.7° | 110.7° |
| S22 | C23 | H13 | 110.7° | 110.7° |
| C16 | C15 | C20 | 120.2° | 120.2° |
| C16 | C15 | C14 | 120.1° | 120.1° |
| C15 | C16 | H10 | 120.1° | 120.1° |
| C19 | C20 | C15 | 120.0° | 120.0° |
| C19 | C20 | H2 | 120.0° | 120.0° |
| C20 | C19 | H11 | 120.1° | 120.1° |
| C20 | C15 | C14 | 119.8° | 119.8° |
| C15 | C20 | H2 | 120.0° | 120.0° |
| C15 | C14 | S13 | 109.1° | 109.1° |
| C15 | C14 | H8 | 109.6° | 109.6° |
| C15 | C14 | H9 | 109.6° | 109.6° |
| C23 | C24 | C27 | 107.0° | 107.0° |
| C23 | C24 | C25 | 105.6° | 105.6° |
| C23 | C24 | H3 | 117.2° | 117.2° |
| C24 | C23 | H12 | 110.7° | 110.7° |
| C24 | C23 | H13 | 110.7° | 110.7° |
| C14 | S13 | C12 | 108.1° | 108.1° |
| S13 | C14 | H8 | 109.5° | 109.5° |
| S13 | C14 | H9 | 109.6° | 109.6° |
| C27 | C24 | C25 | 86.8° | 86.8° |
| C24 | C27 | N26 | 82.4° | 82.4° |
| C27 | C24 | H3 | 117.9° | 117.9° |
| C24 | C27 | H16 | 115.8° | 115.7° |
| C24 | C27 | H17 | 115.8° | 115.8° |
| C24 | C25 | N26 | 81.5° | 81.5° |
| C25 | C24 | H3 | 117.8° | 117.8° |
| C24 | C25 | H14 | 116.0° | 116.0° |
| C24 | C25 | H15 | 115.9° | 115.9° |
| C27 | N26 | C25 | 83.0° | 83.0° |
| C27 | N26 | C28 | 133.8° | 133.8° |
| N26 | C27 | H16 | 115.7° | 115.8° |
| N26 | C27 | H17 | 115.8° | 115.8° |
| S13 | C12 | C11 | 110.9° | 110.9° |
| S13 | C12 | H6 | 109.1° | 109.1° |
| S13 | C12 | H7 | 109.1° | 109.1° |
| C25 | N26 | C28 | 134.1° | 134.1° |
| N26 | C25 | H14 | 115.9° | 115.9° |
| N26 | C25 | H15 | 115.9° | 115.9° |
| C02 | C01 | C06 | 110.8° | 110.8° |
| C01 | C02 | C03 | 107.7° | 107.7° |
| C02 | C01 | H18 | 109.1° | 109.1° |
| C02 | C01 | H19 | 109.1° | 109.1° |
| C01 | C02 | H20 | 109.9° | 109.9° |
| C01 | C02 | H21 | 109.9° | 109.9° |
| C01 | C06 | C28 | 106.2° | 106.2° |
| C01 | C06 | C05 | 111.9° | 111.9° |
| C06 | C01 | H18 | 109.1° | 109.1° |
| C06 | C01 | H19 | 109.1° | 109.1° |
| C01 | C06 | H26 | 109.3° | 109.3° |
| N26 | C28 | C06 | 117.7° | 117.7° |
| N26 | C28 | O29 | 119.9° | 119.9° |
| C02 | C03 | N04 | 108.0° | 108.0° |
| C03 | C02 | H20 | 109.9° | 109.9° |
| C03 | C02 | H21 | 109.9° | 109.9° |
| C02 | C03 | H22 | 109.8° | 109.8° |
| C02 | C03 | H23 | 109.8° | 109.8° |
| C12 | C11 | C10 | 109.7° | 109.7° |
| C12 | C11 | H4 | 109.4° | 109.4° |
| C12 | C11 | H5 | 109.4° | 109.4° |
| C11 | C12 | H6 | 109.1° | 109.1° |
| C11 | C12 | H7 | 109.1° | 109.1° |
| C06 | C28 | O29 | 121.5° | 121.5° |
| C28 | C06 | C05 | 110.9° | 110.9° |
| C28 | C06 | H26 | 109.3° | 109.3° |
| C06 | C05 | N04 | 110.0° | 110.0° |
| C06 | C05 | H24 | 109.3° | 109.3° |
| C06 | C05 | H25 | 109.4° | 109.4° |
| C05 | C06 | H26 | 109.2° | 109.2° |
| C03 | N04 | C05 | 116.9° | 116.9° |
| C03 | N04 | C07 | 116.6° | 116.6° |
| N04 | C03 | H22 | 109.8° | 109.8° |
| N04 | C03 | H23 | 109.9° | 109.9° |
| C11 | C10 | O31 | 119.1° | 119.1° |
| C11 | C10 | N09 | 117.0° | 117.0° |
| C10 | C11 | H4 | 109.4° | 109.4° |
| C10 | C11 | H5 | 109.4° | 109.4° |
| C05 | N04 | C07 | 126.5° | 126.5° |
| N04 | C05 | H24 | 109.4° | 109.4° |
| N04 | C05 | H25 | 109.3° | 109.3° |
| N04 | C07 | O30 | 116.6° | 116.6° |
| N04 | C07 | C08 | 127.9° | 127.9° |
| O31 | C10 | N09 | 123.9° | 123.9° |
| C10 | N09 | C08 | 132.3° | 132.3° |
| C10 | N09 | H28 | 113.9° | 113.9° |
| O30 | C07 | C08 | 115.5° | 115.5° |
| C07 | C08 | N09 | 109.0° | 109.0° |
| C07 | C08 | C32 | 109.5° | 109.5° |
| C07 | C08 | H27 | 106.7° | 106.7° |
| N09 | C08 | C32 | 116.9° | 116.9° |
| N09 | C08 | H27 | 107.5° | 107.5° |
| C08 | N09 | H28 | 113.8° | 113.8° |
| C08 | C32 | N33 | 115.8° | 115.8° |
| C32 | C08 | H27 | 106.8° | 106.8° |
| C08 | C32 | H31 | 107.9° | 107.9° |
| C08 | C32 | H32 | 107.9° | 107.9° |
| C32 | N33 | C34 | 129.6° | 129.6° |
| N33 | C32 | H31 | 107.8° | 107.8° |
| N33 | C32 | H32 | 107.9° | 107.9° |
| C32 | N33 | H33 | 115.2° | 115.2° |
| N33 | C34 | O40 | 123.9° | 123.9° |
| N33 | C34 | C35 | 112.6° | 112.6° |
| C34 | N33 | H33 | 115.2° | 115.2° |
| O40 | C34 | C35 | 123.5° | 123.5° |
| C34 | C35 | S36 | 128.1° | 128.1° |
| C34 | C35 | C39 | 123.4° | 123.4° |
| C35 | S36 | C37 | 107.0° | 107.0° |
| S36 | C35 | C39 | 108.4° | 108.4° |
| S36 | C37 | CL41 | 127.6° | 127.6° |
| S36 | C37 | C38 | 108.2° | 108.2° |
| C35 | C39 | C38 | 108.2° | 108.2° |
| C35 | C39 | H35 | 125.9° | 125.9° |
| CL41 | C37 | C38 | 124.3° | 124.3° |
| C37 | C38 | C39 | 108.3° | 108.3° |
| C37 | C38 | H34 | 125.9° | 125.9° |
| C39 | C38 | H34 | 125.9° | 125.9° |
| C38 | C39 | H35 | 125.9° | 125.9° |
| H4 | C11 | H5 | 109.5° | 109.5° |
| H6 | C12 | H7 | 109.5° | 109.5° |
| H8 | C14 | H9 | 109.5° | 109.5° |
| H12 | C23 | H13 | 109.5° | 109.5° |
| H14 | C25 | H15 | 109.5° | 109.5° |
| H16 | C27 | H17 | 109.5° | 109.4° |
| H18 | C01 | H19 | 109.5° | 109.5° |
| H20 | C02 | H21 | 109.5° | 109.5° |
| H22 | C03 | H23 | 109.5° | 109.5° |
| H24 | C05 | H25 | 109.5° | 109.5° |
| H29 | C21 | H30 | 109.5° | 109.5° |
| H31 | C32 | H32 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C21 | S22 | H29 | 120.7° | 120.7° |
| C18 | C21 | S22 | H30 | 120.7° | 120.7° |
| C21 | C18 | C17 | C19 | 178.3° | 178.3° |
| C21 | C18 | C17 | C16 | 178.9° | 178.9° |
| C18 | C21 | S22 | C23 | 58.0° | 58.0° |
| C21 | C18 | C19 | C20 | 178.9° | 178.9° |
| C21 | C18 | C17 | H1 | 1.1° | 1.1° |
| C21 | C18 | C19 | H11 | 1.1° | 1.1° |
| C18 | C21 | H29 | H30 | 117.9° | 117.9° |
| S22 | C21 | C18 | C17 | 89.2° | 89.2° |
| S22 | C21 | C18 | C19 | 92.6° | 92.6° |
| C21 | S22 | C23 | C24 | 122.0° | 122.0° |
| C21 | S22 | C23 | H12 | 2.8° | 2.8° |
| C21 | S22 | C23 | H13 | 118.8° | 118.8° |
| S22 | C21 | H29 | H30 | 117.9° | 117.9° |
| C18 | C17 | C16 | H1 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.4° | 0.4° |
| C17 | C18 | C19 | C20 | 0.6° | 0.6° |
| C18 | C17 | C16 | H10 | 179.6° | 179.6° |
| C17 | C18 | C19 | H11 | 179.4° | 179.4° |
| C17 | C18 | C21 | H29 | 150.2° | 150.2° |
| C17 | C18 | C21 | H30 | 31.5° | 31.5° |
| C16 | C17 | C18 | C19 | 0.6° | 0.6° |
| C17 | C16 | C15 | H10 | 180.0° | 180.0° |
| C17 | C16 | C15 | C20 | 0.2° | 0.2° |
| C17 | C16 | C15 | C14 | 179.9° | 179.9° |
| C18 | C19 | C20 | H11 | 180.0° | 180.0° |
| C18 | C19 | C20 | C15 | 0.4° | 0.4° |
| C19 | C18 | C17 | H1 | 179.4° | 179.4° |
| C18 | C19 | C20 | H2 | 179.5° | 179.5° |
| C19 | C18 | C21 | H29 | 28.1° | 28.1° |
| C19 | C18 | C21 | H30 | 146.8° | 146.8° |
| S22 | C23 | C24 | H12 | 119.2° | 119.2° |
| S22 | C23 | C24 | H13 | 119.2° | 119.2° |
| S22 | C23 | C24 | C27 | 112.4° | 112.4° |
| S22 | C23 | C24 | C25 | 156.2° | 156.2° |
| S22 | C23 | C24 | H3 | 22.6° | 22.6° |
| S22 | C23 | H12 | H13 | 122.3° | 122.3° |
| C23 | S22 | C21 | H29 | 62.7° | 62.7° |
| C23 | S22 | C21 | H30 | 178.7° | 178.7° |
| C16 | C15 | C20 | C19 | 0.2° | 0.2° |
| C16 | C15 | C20 | C14 | 180.0° | 180.0° |
| C16 | C15 | C14 | S13 | 121.9° | 121.9° |
| C15 | C16 | C17 | H1 | 179.6° | 179.6° |
| C16 | C15 | C20 | H2 | 179.8° | 179.8° |
| C16 | C15 | C14 | H8 | 1.9° | 1.9° |
| C16 | C15 | C14 | H9 | 118.2° | 118.2° |
| C19 | C20 | C15 | H2 | 180.0° | 180.0° |
| C19 | C20 | C15 | C14 | 179.8° | 179.8° |
| C20 | C15 | C14 | S13 | 58.1° | 58.1° |
| C20 | C15 | C14 | H8 | 178.0° | 178.0° |
| C20 | C15 | C14 | H9 | 61.9° | 61.9° |
| C20 | C15 | C16 | H10 | 179.8° | 179.8° |
| C15 | C20 | C19 | H11 | 179.6° | 179.6° |
| C15 | C14 | S13 | H8 | 119.9° | 119.9° |
| C15 | C14 | S13 | H9 | 120.0° | 120.0° |
| C15 | C14 | S13 | C12 | 59.7° | 59.7° |
| C14 | C15 | C20 | H2 | 0.2° | 0.2° |
| C15 | C14 | H8 | H9 | 120.2° | 120.2° |
| C14 | C15 | C16 | H10 | 0.1° | 0.1° |
| C23 | C24 | C27 | C25 | 105.3° | 105.3° |
| C23 | C24 | C27 | H3 | 134.7° | 134.7° |
| C23 | C24 | C25 | H3 | 133.2° | 133.2° |
| C23 | C24 | C27 | N26 | 66.9° | 66.9° |
| C23 | C24 | C25 | N26 | 68.9° | 68.9° |
| C24 | C23 | H12 | H13 | 122.4° | 122.4° |
| C23 | C24 | C25 | H14 | 45.9° | 45.9° |
| C23 | C24 | C25 | H15 | 176.4° | 176.4° |
| C23 | C24 | C27 | H16 | 178.1° | 178.1° |
| C23 | C24 | C27 | H17 | 48.1° | 48.1° |
| C14 | S13 | C12 | C11 | 157.6° | 157.6° |
| C14 | S13 | C12 | H6 | 82.2° | 82.2° |
| C14 | S13 | C12 | H7 | 37.4° | 37.4° |
| S13 | C14 | H8 | H9 | 120.1° | 120.1° |
| C27 | C24 | C25 | H3 | 120.1° | 120.1° |
| C24 | C27 | N26 | H16 | 115.0° | 115.0° |
| C24 | C27 | N26 | H17 | 115.0° | 115.0° |
| C27 | C24 | C25 | N26 | 37.9° | 37.9° |
| C24 | C27 | N26 | C28 | 174.6° | 174.6° |
| C27 | C24 | C23 | H12 | 6.7° | 6.7° |
| C27 | C24 | C23 | H13 | 128.4° | 128.4° |
| C27 | C24 | C25 | H14 | 152.6° | 152.6° |
| C27 | C24 | C25 | H15 | 76.9° | 76.9° |
| C24 | C27 | H16 | H17 | 133.0° | 133.0° |
| C24 | C25 | N26 | H14 | 114.8° | 114.8° |
| C24 | C25 | N26 | H15 | 114.8° | 114.8° |
| C24 | C25 | N26 | C28 | 174.8° | 174.8° |
| C25 | C24 | C23 | H12 | 84.7° | 84.7° |
| C25 | C24 | C23 | H13 | 37.0° | 37.0° |
| C24 | C25 | H14 | H15 | 133.5° | 133.5° |
| C25 | C24 | C27 | H16 | 76.5° | 76.6° |
| C25 | C24 | C27 | H17 | 153.4° | 153.4° |
| C27 | N26 | C25 | C28 | 148.4° | 148.4° |
| C27 | N26 | C28 | C06 | 28.0° | 28.0° |
| C27 | N26 | C28 | O29 | 163.1° | 163.1° |
| N26 | C27 | C24 | H3 | 158.4° | 158.4° |
| C27 | N26 | C25 | H14 | 151.6° | 151.6° |
| C27 | N26 | C25 | H15 | 78.0° | 78.0° |
| N26 | C27 | H16 | H17 | 133.0° | 133.1° |
| S13 | C12 | C11 | H6 | 120.2° | 120.2° |
| S13 | C12 | C11 | H7 | 120.2° | 120.2° |
| S13 | C12 | C11 | C10 | 69.1° | 69.1° |
| S13 | C12 | C11 | H4 | 170.9° | 170.9° |
| S13 | C12 | C11 | H5 | 51.0° | 51.0° |
| S13 | C12 | H6 | H7 | 119.3° | 119.3° |
| C12 | S13 | C14 | H8 | 60.2° | 60.2° |
| C12 | S13 | C14 | H9 | 179.7° | 179.7° |
| C25 | N26 | C28 | C06 | 162.0° | 162.0° |
| C25 | N26 | C28 | O29 | 29.1° | 29.1° |
| N26 | C25 | C24 | H3 | 157.9° | 157.9° |
| N26 | C25 | H14 | H15 | 133.4° | 133.4° |
| C25 | N26 | C27 | H16 | 78.2° | 78.1° |
| C25 | N26 | C27 | H17 | 151.8° | 151.8° |
| C02 | C01 | C06 | H18 | 120.2° | 120.2° |
| C02 | C01 | C06 | H19 | 120.2° | 120.2° |
| C01 | C02 | C03 | H20 | 119.7° | 119.7° |
| C01 | C02 | C03 | H21 | 119.7° | 119.7° |
| C02 | C01 | C06 | C28 | 173.3° | 173.3° |
| C02 | C01 | C06 | C05 | 52.1° | 52.1° |
| C01 | C02 | C03 | N04 | 62.4° | 62.4° |
| C02 | C01 | H18 | H19 | 119.4° | 119.4° |
| C01 | C02 | H20 | H21 | 120.8° | 120.8° |
| C01 | C02 | C03 | H22 | 177.8° | 177.8° |
| C01 | C02 | C03 | H23 | 57.4° | 57.4° |
| C02 | C01 | C06 | H26 | 68.9° | 68.9° |
| C01 | C06 | C28 | N26 | 100.0° | 100.0° |
| C06 | C01 | C02 | C03 | 59.9° | 59.9° |
| C01 | C06 | C28 | C05 | 121.8° | 121.8° |
| C01 | C06 | C28 | H26 | 117.8° | 117.8° |
| C01 | C06 | C28 | O29 | 68.7° | 68.7° |
| C01 | C06 | C05 | H26 | 121.1° | 121.1° |
| C01 | C06 | C05 | N04 | 45.9° | 45.9° |
| C06 | C01 | H18 | H19 | 119.4° | 119.4° |
| C06 | C01 | C02 | H20 | 59.8° | 59.8° |
| C06 | C01 | C02 | H21 | 179.6° | 179.6° |
| C01 | C06 | C05 | H24 | 74.2° | 74.2° |
| C01 | C06 | C05 | H25 | 165.9° | 165.9° |
| N26 | C28 | C06 | O29 | 168.7° | 168.7° |
| N26 | C28 | C06 | C05 | 138.2° | 138.2° |
| C28 | N26 | C25 | H14 | 60.0° | 60.0° |
| C28 | N26 | C25 | H15 | 70.5° | 70.5° |
| C28 | N26 | C27 | H16 | 70.4° | 70.5° |
| C28 | N26 | C27 | H17 | 59.6° | 59.6° |
| N26 | C28 | C06 | H26 | 17.8° | 17.8° |
| C02 | C03 | N04 | H22 | 119.8° | 119.8° |
| C02 | C03 | N04 | H23 | 119.8° | 119.8° |
| C02 | C03 | N04 | C05 | 61.9° | 61.9° |
| C02 | C03 | N04 | C07 | 117.8° | 117.8° |
| C03 | C02 | C01 | H18 | 60.3° | 60.3° |
| C03 | C02 | C01 | H19 | 179.9° | 179.9° |
| C03 | C02 | H20 | H21 | 120.8° | 120.8° |
| C02 | C03 | H22 | H23 | 120.7° | 120.7° |
| C12 | C11 | C10 | H4 | 120.0° | 120.0° |
| C12 | C11 | C10 | H5 | 120.0° | 120.0° |
| C12 | C11 | C10 | O31 | 78.4° | 78.4° |
| C12 | C11 | C10 | N09 | 102.1° | 102.1° |
| C12 | C11 | H4 | H5 | 119.9° | 119.9° |
| C11 | C12 | H6 | H7 | 119.3° | 119.3° |
| C28 | C06 | C05 | H26 | 120.5° | 120.5° |
| C28 | C06 | C05 | N04 | 164.3° | 164.3° |
| C28 | C06 | C01 | H18 | 53.1° | 53.1° |
| C28 | C06 | C01 | H19 | 66.5° | 66.5° |
| C28 | C06 | C05 | H24 | 44.2° | 44.2° |
| C28 | C06 | C05 | H25 | 75.7° | 75.7° |
| O29 | C28 | C06 | C05 | 53.1° | 53.1° |
| O29 | C28 | C06 | H26 | 173.5° | 173.5° |
| C06 | C05 | N04 | C03 | 52.8° | 52.8° |
| C06 | C05 | N04 | H24 | 120.1° | 120.1° |
| C06 | C05 | N04 | H25 | 120.1° | 120.1° |
| C06 | C05 | N04 | C07 | 126.9° | 126.9° |
| C05 | C06 | C01 | H18 | 68.1° | 68.1° |
| C05 | C06 | C01 | H19 | 172.3° | 172.3° |
| C06 | C05 | H24 | H25 | 119.8° | 119.8° |
| C03 | N04 | C05 | C07 | 179.7° | 179.7° |
| C03 | N04 | C07 | O30 | 0.3° | 0.3° |
| C03 | N04 | C07 | C08 | 179.9° | 179.9° |
| N04 | C03 | C02 | H20 | 57.3° | 57.3° |
| N04 | C03 | C02 | H21 | 177.8° | 177.8° |
| N04 | C03 | H22 | H23 | 120.7° | 120.7° |
| C03 | N04 | C05 | H24 | 67.3° | 67.3° |
| C03 | N04 | C05 | H25 | 172.9° | 172.9° |
| C11 | C10 | O31 | N09 | 179.5° | 179.5° |
| C11 | C10 | N09 | C08 | 179.4° | 179.4° |
| C10 | C11 | H4 | H5 | 119.9° | 119.9° |
| C10 | C11 | C12 | H6 | 51.1° | 51.1° |
| C10 | C11 | C12 | H7 | 170.7° | 170.7° |
| C11 | C10 | N09 | H28 | 0.6° | 0.6° |
| C05 | N04 | C07 | O30 | 180.0° | 180.0° |
| C05 | N04 | C07 | C08 | 0.2° | 0.2° |
| C05 | N04 | C03 | H22 | 178.3° | 178.3° |
| C05 | N04 | C03 | H23 | 57.9° | 57.9° |
| N04 | C05 | H24 | H25 | 119.8° | 119.8° |
| N04 | C05 | C06 | H26 | 75.2° | 75.2° |
| N04 | C07 | O30 | C08 | 179.8° | 179.8° |
| N04 | C07 | C08 | N09 | 76.3° | 76.3° |
| N04 | C07 | C08 | C32 | 52.7° | 52.7° |
| C07 | N04 | C03 | H22 | 1.9° | 1.9° |
| C07 | N04 | C03 | H23 | 122.4° | 122.4° |
| C07 | N04 | C05 | H24 | 113.0° | 113.0° |
| C07 | N04 | C05 | H25 | 6.8° | 6.8° |
| N04 | C07 | C08 | H27 | 167.8° | 167.8° |
| O31 | C10 | N09 | C08 | 1.1° | 1.1° |
| O31 | C10 | C11 | H4 | 41.6° | 41.6° |
| O31 | C10 | C11 | H5 | 161.6° | 161.6° |
| O31 | C10 | N09 | H28 | 178.9° | 178.9° |
| C10 | N09 | C08 | C07 | 84.4° | 84.4° |
| C10 | N09 | C08 | H28 | 180.0° | 180.0° |
| C10 | N09 | C08 | C32 | 40.4° | 40.4° |
| N09 | C10 | C11 | H4 | 137.9° | 137.9° |
| N09 | C10 | C11 | H5 | 18.0° | 18.0° |
| C10 | N09 | C08 | H27 | 160.3° | 160.3° |
| O30 | C07 | C08 | N09 | 103.9° | 103.9° |
| O30 | C07 | C08 | C32 | 127.1° | 127.1° |
| O30 | C07 | C08 | H27 | 12.0° | 12.0° |
| C07 | C08 | N09 | C32 | 124.8° | 124.8° |
| C07 | C08 | N09 | H27 | 115.3° | 115.3° |
| C07 | C08 | C32 | H27 | 115.1° | 115.1° |
| C07 | C08 | C32 | N33 | 157.5° | 157.5° |
| C07 | C08 | N09 | H28 | 95.6° | 95.6° |
| C07 | C08 | C32 | H31 | 81.6° | 81.6° |
| C07 | C08 | C32 | H32 | 36.5° | 36.5° |
| N09 | C08 | C32 | H27 | 120.3° | 120.3° |
| N09 | C08 | C32 | N33 | 32.9° | 32.9° |
| N09 | C08 | C32 | H31 | 153.9° | 153.9° |
| N09 | C08 | C32 | H32 | 88.0° | 88.0° |
| C08 | C32 | N33 | H31 | 120.9° | 120.9° |
| C08 | C32 | N33 | H32 | 120.9° | 120.9° |
| C08 | C32 | N33 | C34 | 39.2° | 39.2° |
| C32 | C08 | N09 | H28 | 139.6° | 139.6° |
| C08 | C32 | H31 | H32 | 117.2° | 117.1° |
| C08 | C32 | N33 | H33 | 140.8° | 140.8° |
| C32 | N33 | C34 | H33 | 180.0° | 180.0° |
| C32 | N33 | C34 | O40 | 1.0° | 1.0° |
| C32 | N33 | C34 | C35 | 179.9° | 179.9° |
| N33 | C32 | C08 | H27 | 87.4° | 87.4° |
| N33 | C32 | H31 | H32 | 117.1° | 117.1° |
| N33 | C34 | O40 | C35 | 178.8° | 178.8° |
| N33 | C34 | C35 | S36 | 119.3° | 119.3° |
| N33 | C34 | C35 | C39 | 57.5° | 57.5° |
| C34 | N33 | C32 | H31 | 81.7° | 81.7° |
| C34 | N33 | C32 | H32 | 160.1° | 160.1° |
| O40 | C34 | C35 | S36 | 59.6° | 59.6° |
| O40 | C34 | C35 | C39 | 123.6° | 123.6° |
| O40 | C34 | N33 | H33 | 179.0° | 179.0° |
| C34 | C35 | S36 | C39 | 177.1° | 177.1° |
| C34 | C35 | S36 | C37 | 177.7° | 177.7° |
| C34 | C35 | C39 | C38 | 178.0° | 178.0° |
| C35 | C34 | N33 | H33 | 0.2° | 0.2° |
| C34 | C35 | C39 | H35 | 2.0° | 2.0° |
| C35 | S36 | C37 | CL41 | 180.0° | 180.0° |
| C35 | S36 | C37 | C38 | 0.3° | 0.3° |
| S36 | C35 | C39 | C38 | 0.6° | 0.6° |
| S36 | C35 | C39 | H35 | 179.3° | 179.3° |
| C37 | S36 | C35 | C39 | 0.6° | 0.6° |
| S36 | C37 | CL41 | C38 | 179.7° | 179.7° |
| S36 | C37 | C38 | C39 | 0.1° | 0.1° |
| S36 | C37 | C38 | H34 | 179.9° | 179.9° |
| C35 | C39 | C38 | C37 | 0.5° | 0.5° |
| C35 | C39 | C38 | H35 | 180.0° | 180.0° |
| C35 | C39 | C38 | H34 | 179.5° | 179.5° |
| CL41 | C37 | C38 | C39 | 179.7° | 179.7° |
| CL41 | C37 | C38 | H34 | 0.4° | 0.4° |
| C37 | C38 | C39 | H34 | 180.0° | 180.0° |
| C37 | C38 | C39 | H35 | 179.5° | 179.5° |
| H1 | C17 | C16 | H10 | 0.4° | 0.4° |
| H2 | C20 | C19 | H11 | 0.4° | 0.4° |
| H3 | C24 | C23 | H12 | 141.8° | 141.8° |
| H3 | C24 | C23 | H13 | 96.5° | 96.5° |
| H3 | C24 | C25 | H14 | 87.3° | 87.3° |
| H3 | C24 | C25 | H15 | 43.2° | 43.2° |
| H3 | C24 | C27 | H16 | 43.4° | 43.4° |
| H3 | C24 | C27 | H17 | 86.6° | 86.6° |
| H4 | C11 | C12 | H6 | 68.9° | 68.9° |
| H4 | C11 | C12 | H7 | 50.7° | 50.7° |
| H5 | C11 | C12 | H6 | 171.2° | 171.2° |
| H5 | C11 | C12 | H7 | 69.3° | 69.3° |
| H18 | C01 | C02 | H20 | 180.0° | 180.0° |
| H18 | C01 | C02 | H21 | 59.4° | 59.4° |
| H18 | C01 | C06 | H26 | 170.9° | 170.9° |
| H19 | C01 | C02 | H20 | 60.4° | 60.4° |
| H19 | C01 | C02 | H21 | 60.2° | 60.2° |
| H19 | C01 | C06 | H26 | 51.3° | 51.3° |
| H20 | C02 | C03 | H22 | 62.5° | 62.5° |
| H20 | C02 | C03 | H23 | 177.1° | 177.1° |
| H21 | C02 | C03 | H22 | 58.1° | 58.1° |
| H21 | C02 | C03 | H23 | 62.4° | 62.4° |
| H24 | C05 | C06 | H26 | 164.7° | 164.7° |
| H25 | C05 | C06 | H26 | 44.8° | 44.8° |
| H27 | C08 | N09 | H28 | 19.6° | 19.7° |
| H27 | C08 | C32 | H31 | 33.5° | 33.5° |
| H27 | C08 | C32 | H32 | 151.7° | 151.6° |
| H31 | C32 | N33 | H33 | 98.2° | 98.2° |
| H32 | C32 | N33 | H33 | 19.9° | 19.9° |
| H34 | C38 | C39 | H35 | 0.5° | 0.5° |
