R2A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | sing | 1.51Å | 1.51Å | |
| C18 | C17 | doub | 1.37Å | 1.40Å | Aromatic |
| C18 | C20 | sing | 1.39Å | 1.41Å | Aromatic |
| C17 | C16 | sing | 1.40Å | 1.41Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C11 | sing | 1.46Å | 1.45Å | Aromatic |
| C16 | C22 | doub | 1.41Å | 1.33Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.53Å | |
| C12 | C13 | sing | 1.51Å | 1.55Å | |
| O14 | C13 | doub | 1.21Å | 1.26Å | |
| C21 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.36Å | 1.42Å | Aromatic |
| C13 | O15 | sing | 1.34Å | 1.26Å | |
| C22 | O23 | sing | 1.35Å | 1.31Å | Aromatic |
| C10 | O23 | sing | 1.35Å | 1.31Å | Aromatic |
| C10 | C09 | sing | 1.43Å | 1.48Å | |
| C09 | C08 | trip | 1.17Å | 1.15Å | |
| C08 | C07 | sing | 1.43Å | 1.49Å | |
| C07 | C06 | doub | 1.40Å | 1.38Å | Aromatic |
| C07 | C24 | sing | 1.40Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C03 | doub | 1.39Å | 1.38Å | Aromatic |
| C05 | C04 | doub | 1.38Å | 1.40Å | Aromatic |
| C03 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.48Å | 1.53Å | |
| O01 | C02 | doub | 1.21Å | 1.19Å | |
| C02 | N25 | sing | 1.35Å | 1.48Å | |
| N25 | C57 | sing | 1.47Å | 1.49Å | |
| N25 | C26 | sing | 1.47Å | 1.48Å | |
| C57 | C56 | sing | 1.53Å | 1.54Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C56 | N28 | sing | 1.47Å | 1.44Å | |
| C27 | N28 | sing | 1.47Å | 1.44Å | |
| N28 | C29 | sing | 1.47Å | 1.49Å | |
| C29 | C30 | sing | 1.53Å | 1.57Å | |
| C30 | N31 | sing | 1.46Å | 1.48Å | |
| N31 | C32 | sing | 1.35Å | 1.49Å | |
| C32 | O55 | doub | 1.22Å | 1.20Å | |
| C32 | C33 | sing | 1.48Å | 1.57Å | |
| C54 | C33 | doub | 1.40Å | 1.41Å | Aromatic |
| C54 | C53 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | C34 | sing | 1.39Å | 1.41Å | Aromatic |
| C53 | C52 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | C35 | doub | 1.40Å | 1.41Å | Aromatic |
| C52 | C35 | sing | 1.40Å | 1.40Å | Aromatic |
| C35 | C36 | sing | 1.43Å | 1.55Å | |
| C36 | C37 | trip | 1.17Å | 1.20Å | |
| C37 | C38 | sing | 1.43Å | 1.53Å | |
| O51 | C38 | sing | 1.35Å | 1.30Å | Aromatic |
| O51 | C50 | sing | 1.35Å | 1.34Å | Aromatic |
| C38 | C39 | doub | 1.36Å | 1.43Å | Aromatic |
| O42 | C41 | doub | 1.21Å | 1.27Å | |
| C50 | C49 | doub | 1.39Å | 1.41Å | Aromatic |
| C50 | C44 | sing | 1.41Å | 1.40Å | Aromatic |
| C39 | C40 | sing | 1.51Å | 1.55Å | |
| C39 | C44 | sing | 1.46Å | 1.47Å | Aromatic |
| C49 | C48 | sing | 1.38Å | 1.40Å | Aromatic |
| C40 | C41 | sing | 1.51Å | 1.55Å | |
| C41 | O43 | sing | 1.34Å | 1.26Å | |
| C44 | C45 | doub | 1.40Å | 1.42Å | Aromatic |
| C48 | C46 | doub | 1.39Å | 1.39Å | Aromatic |
| C45 | C46 | sing | 1.37Å | 1.40Å | Aromatic |
| C46 | C47 | sing | 1.51Å | 1.51Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.08Å | 1.08Å | |
| C47 | H473 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C48 | H481 | sing | 1.08Å | 1.08Å | |
| C49 | H491 | sing | 1.08Å | 1.08Å | |
| C52 | H521 | sing | 1.08Å | 1.08Å | |
| C53 | H531 | sing | 1.08Å | 1.08Å | |
| C54 | H541 | sing | 1.08Å | 1.08Å | |
| C56 | H562 | sing | 1.09Å | 1.10Å | |
| C56 | H561 | sing | 1.09Å | 1.10Å | |
| C57 | H571 | sing | 1.09Å | 1.10Å | |
| C57 | H572 | sing | 1.09Å | 1.10Å | |
| N31 | H311 | sing | 0.97Å | 1.00Å | |
| O15 | H2 | sing | 0.97Å | 0.95Å | |
| O43 | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | C17 | 122.1° | 119.8° |
| C19 | C18 | C20 | 116.8° | 119.8° |
| C18 | C19 | H193 | 109.5° | 109.5° |
| C18 | C19 | H192 | 109.5° | 109.5° |
| C18 | C19 | H191 | 109.5° | 109.5° |
| C17 | C18 | C20 | 121.1° | 120.4° |
| C18 | C17 | C16 | 114.8° | 119.7° |
| C18 | C17 | H171 | 122.6° | 120.1° |
| C18 | C20 | C21 | 121.8° | 120.7° |
| C18 | C20 | H201 | 119.1° | 119.7° |
| C17 | C16 | C11 | 129.9° | 134.2° |
| C17 | C16 | C22 | 123.8° | 120.1° |
| C16 | C17 | H171 | 122.6° | 120.2° |
| C20 | C21 | C22 | 115.8° | 119.9° |
| C21 | C20 | H201 | 119.1° | 119.6° |
| C20 | C21 | H211 | 122.1° | 120.1° |
| C11 | C16 | C22 | 106.3° | 105.7° |
| C16 | C11 | C12 | 130.0° | 127.0° |
| C16 | C11 | C10 | 100.4° | 106.0° |
| C16 | C22 | C21 | 122.7° | 119.2° |
| C16 | C22 | O23 | 114.0° | 107.6° |
| C11 | C12 | C13 | 114.7° | 109.5° |
| C12 | C11 | C10 | 129.6° | 127.0° |
| C11 | C12 | H121 | 108.2° | 109.5° |
| C11 | C12 | H122 | 108.2° | 109.5° |
| C12 | C13 | O14 | 120.6° | 120.0° |
| C12 | C13 | O15 | 121.4° | 120.0° |
| C13 | C12 | H121 | 108.2° | 109.5° |
| C13 | C12 | H122 | 108.2° | 109.4° |
| O14 | C13 | O15 | 118.0° | 120.0° |
| C21 | C22 | O23 | 123.2° | 133.2° |
| C22 | C21 | H211 | 122.1° | 120.1° |
| C11 | C10 | O23 | 113.6° | 109.7° |
| C11 | C10 | C09 | 125.6° | 125.1° |
| C13 | O15 | H2 | 109.5° | 117.0° |
| C22 | O23 | C10 | 105.6° | 110.9° |
| O23 | C10 | C09 | 120.8° | 125.2° |
| C10 | C09 | C08 | 175.7° | 180.0° |
| C09 | C08 | C07 | 176.0° | 180.0° |
| C08 | C07 | C06 | 121.3° | 120.1° |
| C08 | C07 | C24 | 117.7° | 120.1° |
| C06 | C07 | C24 | 121.0° | 119.8° |
| C07 | C06 | C05 | 118.2° | 120.1° |
| C07 | C06 | H061 | 120.9° | 119.9° |
| C07 | C24 | C03 | 121.7° | 119.7° |
| C07 | C24 | H241 | 119.2° | 120.1° |
| C06 | C05 | C04 | 120.9° | 120.3° |
| C06 | C05 | H051 | 119.6° | 119.8° |
| C05 | C06 | H061 | 120.9° | 119.9° |
| C24 | C03 | C04 | 117.7° | 119.9° |
| C24 | C03 | C02 | 117.9° | 120.1° |
| C03 | C24 | H241 | 119.2° | 120.2° |
| C05 | C04 | C03 | 120.6° | 120.2° |
| C05 | C04 | H041 | 119.7° | 119.9° |
| C04 | C05 | H051 | 119.5° | 119.8° |
| C04 | C03 | C02 | 124.4° | 120.0° |
| C03 | C04 | H041 | 119.7° | 119.9° |
| C03 | C02 | O01 | 118.5° | 120.0° |
| C03 | C02 | N25 | 122.4° | 119.9° |
| O01 | C02 | N25 | 119.1° | 120.0° |
| C02 | N25 | C57 | 125.3° | 120.9° |
| C02 | N25 | C26 | 121.1° | 120.8° |
| C57 | N25 | C26 | 113.6° | 118.2° |
| N25 | C57 | C56 | 118.5° | 108.5° |
| N25 | C57 | H571 | 107.2° | 109.7° |
| N25 | C57 | H572 | 107.2° | 109.8° |
| N25 | C26 | C27 | 117.7° | 108.5° |
| N25 | C26 | H261 | 107.4° | 109.6° |
| N25 | C26 | H262 | 107.4° | 109.8° |
| C57 | C56 | N28 | 109.4° | 109.3° |
| C57 | C56 | H562 | 109.5° | 109.5° |
| C57 | C56 | H561 | 109.5° | 109.5° |
| C56 | C57 | H571 | 107.2° | 109.6° |
| C56 | C57 | H572 | 107.1° | 109.6° |
| C26 | C27 | N28 | 112.0° | 109.4° |
| C27 | C26 | H261 | 107.4° | 109.7° |
| C27 | C26 | H262 | 107.4° | 109.6° |
| C26 | C27 | H271 | 108.8° | 109.5° |
| C26 | C27 | H272 | 108.8° | 109.5° |
| C56 | N28 | C27 | 106.9° | 111.3° |
| C56 | N28 | C29 | 120.8° | 111.0° |
| N28 | C56 | H562 | 109.5° | 109.5° |
| N28 | C56 | H561 | 109.5° | 109.6° |
| C27 | N28 | C29 | 115.8° | 111.1° |
| N28 | C27 | H271 | 108.8° | 109.5° |
| N28 | C27 | H272 | 108.8° | 109.5° |
| N28 | C29 | C30 | 118.4° | 109.5° |
| N28 | C29 | H291 | 107.2° | 109.5° |
| N28 | C29 | H292 | 107.2° | 109.4° |
| C29 | C30 | N31 | 120.4° | 109.5° |
| C30 | C29 | H291 | 107.2° | 109.5° |
| C30 | C29 | H292 | 107.2° | 109.5° |
| C29 | C30 | H302 | 106.7° | 109.5° |
| C29 | C30 | H301 | 106.7° | 109.5° |
| C30 | N31 | C32 | 126.7° | 120.0° |
| N31 | C30 | H302 | 106.7° | 109.5° |
| N31 | C30 | H301 | 106.7° | 109.5° |
| C30 | N31 | H311 | 116.7° | 120.0° |
| N31 | C32 | O55 | 120.0° | 120.0° |
| N31 | C32 | C33 | 122.5° | 120.0° |
| C32 | N31 | H311 | 116.6° | 120.0° |
| O55 | C32 | C33 | 117.4° | 120.1° |
| C32 | C33 | C54 | 122.1° | 120.1° |
| C32 | C33 | C34 | 121.0° | 120.0° |
| C33 | C54 | C53 | 121.3° | 120.2° |
| C54 | C33 | C34 | 116.9° | 119.9° |
| C33 | C54 | H541 | 119.3° | 119.9° |
| C54 | C53 | C52 | 120.8° | 120.4° |
| C54 | C53 | H531 | 119.6° | 119.8° |
| C53 | C54 | H541 | 119.4° | 119.9° |
| C33 | C34 | C35 | 122.1° | 119.6° |
| C33 | C34 | H341 | 118.9° | 120.2° |
| C53 | C52 | C35 | 119.2° | 120.1° |
| C53 | C52 | H521 | 120.4° | 119.9° |
| C52 | C53 | H531 | 119.6° | 119.8° |
| C34 | C35 | C52 | 119.7° | 119.8° |
| C34 | C35 | C36 | 120.7° | 120.1° |
| C35 | C34 | H341 | 119.0° | 120.2° |
| C52 | C35 | C36 | 119.6° | 120.1° |
| C35 | C52 | H521 | 120.4° | 120.0° |
| C35 | C36 | C37 | 176.0° | 180.0° |
| C36 | C37 | C38 | 173.8° | 180.0° |
| C37 | C38 | O51 | 120.8° | 125.1° |
| C37 | C38 | C39 | 129.4° | 125.2° |
| C38 | O51 | C50 | 111.6° | 110.8° |
| O51 | C38 | C39 | 109.9° | 109.7° |
| O51 | C50 | C49 | 131.2° | 133.2° |
| O51 | C50 | C44 | 109.2° | 107.7° |
| C38 | C39 | C40 | 130.6° | 126.9° |
| C38 | C39 | C44 | 103.7° | 106.1° |
| O42 | C41 | C40 | 121.4° | 120.0° |
| O42 | C41 | O43 | 117.3° | 120.0° |
| C49 | C50 | C44 | 119.6° | 119.2° |
| C50 | C49 | C48 | 120.2° | 119.8° |
| C50 | C49 | H491 | 119.9° | 120.1° |
| C50 | C44 | C39 | 105.6° | 105.7° |
| C50 | C44 | C45 | 119.7° | 120.1° |
| C40 | C39 | C44 | 125.7° | 127.0° |
| C39 | C40 | C41 | 113.3° | 109.5° |
| C39 | C40 | H402 | 108.5° | 109.4° |
| C39 | C40 | H401 | 108.5° | 109.5° |
| C39 | C44 | C45 | 134.6° | 134.2° |
| C49 | C48 | C46 | 120.4° | 120.7° |
| C49 | C48 | H481 | 119.8° | 119.6° |
| C48 | C49 | H491 | 119.9° | 120.1° |
| C40 | C41 | O43 | 121.3° | 120.0° |
| C41 | C40 | H402 | 108.5° | 109.5° |
| C41 | C40 | H401 | 108.5° | 109.5° |
| C41 | O43 | H3 | 109.5° | 117.0° |
| C44 | C45 | C46 | 120.0° | 119.7° |
| C44 | C45 | H451 | 120.0° | 120.2° |
| C48 | C46 | C45 | 120.0° | 120.4° |
| C48 | C46 | C47 | 118.4° | 119.8° |
| C46 | C48 | H481 | 119.8° | 119.7° |
| C45 | C46 | C47 | 121.6° | 119.8° |
| C46 | C45 | H451 | 120.0° | 120.1° |
| C46 | C47 | H473 | 109.5° | 109.5° |
| C46 | C47 | H471 | 109.5° | 109.5° |
| C46 | C47 | H472 | 109.4° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.7° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H193 | C19 | H192 | 109.5° | 109.4° |
| H193 | C19 | H191 | 109.4° | 109.5° |
| H192 | C19 | H191 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.4° |
| H291 | C29 | H292 | 109.5° | 109.4° |
| H302 | C30 | H301 | 109.5° | 109.5° |
| H402 | C40 | H401 | 109.5° | 109.5° |
| H473 | C47 | H471 | 109.4° | 109.5° |
| H473 | C47 | H472 | 109.5° | 109.4° |
| H471 | C47 | H472 | 109.5° | 109.5° |
| H562 | C56 | H561 | 109.4° | 109.5° |
| H571 | C57 | H572 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | C17 | C20 | 179.6° | 179.9° |
| C19 | C18 | C17 | C16 | 179.1° | 180.0° |
| C19 | C18 | C20 | C21 | 179.0° | 180.0° |
| C19 | C18 | C17 | H171 | 0.9° | 0.0° |
| C19 | C18 | C20 | H201 | 1.0° | 0.1° |
| C18 | C19 | H193 | H192 | 120.0° | 120.0° |
| C18 | C19 | H193 | H191 | 120.0° | 120.0° |
| C18 | C19 | H192 | H191 | 120.0° | 120.0° |
| C18 | C17 | C16 | H171 | 180.0° | 180.0° |
| C17 | C18 | C20 | C21 | 0.6° | 0.1° |
| C18 | C17 | C16 | C11 | 178.8° | 180.0° |
| C18 | C17 | C16 | C22 | 0.3° | 0.1° |
| C17 | C18 | C20 | H201 | 179.4° | 180.0° |
| C17 | C18 | C19 | H193 | 89.8° | 90.1° |
| C17 | C18 | C19 | H192 | 150.2° | 150.0° |
| C17 | C18 | C19 | H191 | 30.2° | 30.0° |
| C20 | C18 | C17 | C16 | 0.5° | 0.1° |
| C18 | C20 | C21 | H201 | 180.0° | 179.9° |
| C18 | C20 | C21 | C22 | 0.1° | 0.1° |
| C20 | C18 | C17 | H171 | 179.5° | 179.9° |
| C18 | C20 | C21 | H211 | 179.9° | 179.9° |
| C20 | C18 | C19 | H193 | 89.9° | 90.0° |
| C20 | C18 | C19 | H192 | 30.2° | 29.9° |
| C20 | C18 | C19 | H191 | 150.2° | 149.9° |
| C17 | C16 | C11 | C22 | 178.7° | 179.9° |
| C17 | C16 | C11 | C12 | 0.8° | 0.1° |
| C17 | C16 | C22 | C21 | 1.0° | 0.1° |
| C17 | C16 | C11 | C10 | 179.5° | 180.0° |
| C17 | C16 | C22 | O23 | 180.0° | 180.0° |
| C20 | C21 | C22 | C16 | 0.9° | 0.1° |
| C20 | C21 | C22 | H211 | 180.0° | 179.9° |
| C20 | C21 | C22 | O23 | 179.7° | 180.0° |
| C16 | C11 | C12 | C10 | 178.4° | 179.9° |
| C16 | C11 | C12 | C13 | 104.7° | 90.0° |
| C11 | C16 | C22 | C21 | 179.8° | 180.0° |
| C11 | C16 | C22 | O23 | 1.2° | 0.1° |
| C16 | C11 | C10 | O23 | 1.9° | 0.0° |
| C16 | C11 | C10 | C09 | 179.8° | 179.8° |
| C11 | C16 | C17 | H171 | 1.2° | 0.0° |
| C16 | C11 | C12 | H121 | 16.1° | 150.0° |
| C16 | C11 | C12 | H122 | 134.5° | 30.0° |
| C22 | C16 | C11 | C12 | 179.5° | 180.0° |
| C16 | C22 | C21 | O23 | 178.8° | 179.9° |
| C22 | C16 | C11 | C10 | 1.8° | 0.1° |
| C16 | C22 | O23 | C10 | 0.0° | 0.1° |
| C22 | C16 | C17 | H171 | 179.7° | 180.0° |
| C16 | C22 | C21 | H211 | 179.1° | 180.0° |
| C11 | C12 | C13 | H121 | 120.8° | 120.0° |
| C11 | C12 | C13 | H122 | 120.8° | 120.0° |
| C11 | C12 | C13 | O14 | 71.1° | 0.0° |
| C11 | C12 | C13 | O15 | 110.3° | 180.0° |
| C12 | C11 | C10 | O23 | 179.4° | 180.0° |
| C12 | C11 | C10 | C09 | 1.1° | 0.2° |
| C11 | C12 | H121 | H122 | 117.6° | 120.0° |
| C12 | C13 | O14 | O15 | 178.6° | 180.0° |
| C13 | C12 | C11 | C10 | 76.9° | 89.9° |
| C13 | C12 | H121 | H122 | 117.6° | 120.0° |
| C12 | C13 | O15 | H2 | 178.6° | 180.0° |
| O14 | C13 | C12 | H121 | 49.6° | 120.0° |
| O14 | C13 | C12 | H122 | 168.1° | 120.0° |
| O14 | C13 | O15 | H2 | 0.0° | 0.0° |
| C21 | C22 | O23 | C10 | 179.0° | 180.0° |
| C22 | C21 | C20 | H201 | 179.9° | 180.0° |
| C11 | C10 | O23 | C22 | 1.3° | 0.0° |
| C11 | C10 | O23 | C09 | 178.4° | 179.8° |
| C11 | C10 | C09 | C08 | 135.9° | 105.9° |
| C10 | C11 | C12 | H121 | 162.3° | 30.1° |
| C10 | C11 | C12 | H122 | 43.8° | 150.1° |
| O15 | C13 | C12 | H121 | 128.9° | 60.0° |
| O15 | C13 | C12 | H122 | 10.4° | 60.0° |
| C22 | O23 | C10 | C09 | 179.7° | 179.8° |
| O23 | C22 | C21 | H211 | 0.3° | 0.1° |
| O23 | C10 | C09 | C08 | 42.3° | 73.8° |
| C10 | C09 | C08 | C07 | 10.8° | 167.1° |
| C09 | C08 | C07 | C06 | 111.5° | 86.8° |
| C09 | C08 | C07 | C24 | 68.9° | 92.7° |
| C08 | C07 | C06 | C24 | 179.5° | 179.5° |
| C08 | C07 | C06 | C05 | 178.8° | 180.0° |
| C08 | C07 | C24 | C03 | 178.4° | 180.0° |
| C08 | C07 | C24 | H241 | 1.6° | 0.3° |
| C08 | C07 | C06 | H061 | 1.2° | 0.2° |
| C07 | C06 | C05 | H061 | 180.0° | 179.9° |
| C06 | C07 | C24 | C03 | 1.1° | 0.5° |
| C07 | C06 | C05 | C04 | 0.0° | 0.2° |
| C06 | C07 | C24 | H241 | 178.9° | 179.8° |
| C07 | C06 | C05 | H051 | 179.9° | 179.8° |
| C24 | C07 | C06 | C05 | 0.7° | 0.5° |
| C07 | C24 | C03 | H241 | 180.0° | 179.7° |
| C07 | C24 | C03 | C04 | 0.7° | 0.2° |
| C07 | C24 | C03 | C02 | 179.9° | 179.7° |
| C24 | C07 | C06 | H061 | 179.3° | 179.6° |
| C06 | C05 | C04 | H051 | 180.0° | 180.0° |
| C06 | C05 | C04 | C03 | 0.3° | 0.1° |
| C06 | C05 | C04 | H041 | 179.7° | 180.0° |
| C24 | C03 | C04 | C05 | 0.1° | 0.1° |
| C24 | C03 | C04 | C02 | 179.1° | 179.9° |
| C24 | C03 | C02 | O01 | 49.8° | 140.6° |
| C24 | C03 | C02 | N25 | 127.4° | 39.4° |
| C24 | C03 | C04 | H041 | 179.9° | 180.0° |
| C05 | C04 | C03 | H041 | 180.0° | 179.9° |
| C05 | C04 | C03 | C02 | 179.1° | 180.0° |
| C04 | C05 | C06 | H061 | 180.0° | 179.9° |
| C04 | C03 | C02 | O01 | 131.1° | 39.3° |
| C04 | C03 | C02 | N25 | 51.7° | 140.7° |
| C04 | C03 | C24 | H241 | 179.2° | 180.0° |
| C03 | C04 | C05 | H051 | 179.7° | 179.9° |
| C03 | C02 | O01 | N25 | 177.2° | 180.0° |
| C03 | C02 | N25 | C57 | 2.4° | 5.8° |
| C03 | C02 | N25 | C26 | 179.2° | 174.2° |
| C02 | C03 | C24 | H241 | 0.1° | 0.0° |
| C02 | C03 | C04 | H041 | 0.8° | 0.1° |
| O01 | C02 | N25 | C57 | 179.6° | 174.3° |
| O01 | C02 | N25 | C26 | 2.1° | 5.8° |
| C02 | N25 | C57 | C26 | 178.5° | 179.9° |
| C02 | N25 | C57 | C56 | 159.0° | 128.8° |
| C02 | N25 | C26 | C27 | 162.3° | 128.9° |
| C02 | N25 | C26 | H261 | 76.6° | 9.1° |
| C02 | N25 | C26 | H262 | 41.1° | 111.4° |
| C02 | N25 | C57 | H571 | 37.7° | 111.5° |
| C02 | N25 | C57 | H572 | 79.7° | 9.1° |
| N25 | C57 | C56 | H571 | 121.3° | 119.7° |
| N25 | C57 | C56 | H572 | 121.3° | 119.9° |
| C57 | N25 | C26 | C27 | 19.2° | 51.2° |
| N25 | C57 | C56 | N28 | 47.2° | 53.8° |
| C57 | N25 | C26 | H261 | 102.0° | 170.9° |
| C57 | N25 | C26 | H262 | 140.4° | 68.5° |
| N25 | C57 | C56 | H562 | 72.8° | 66.1° |
| N25 | C57 | C56 | H561 | 167.2° | 173.9° |
| N25 | C57 | H571 | H572 | 115.9° | 120.6° |
| C26 | N25 | C57 | C56 | 22.5° | 51.2° |
| N25 | C26 | C27 | H261 | 121.2° | 119.7° |
| N25 | C26 | C27 | H262 | 121.2° | 119.8° |
| N25 | C26 | C27 | N28 | 41.3° | 53.8° |
| N25 | C26 | H261 | H262 | 116.3° | 120.6° |
| N25 | C26 | C27 | H271 | 161.6° | 173.8° |
| N25 | C26 | C27 | H272 | 79.1° | 66.2° |
| C26 | N25 | C57 | H571 | 143.8° | 68.5° |
| C26 | N25 | C57 | H572 | 98.7° | 171.0° |
| C57 | C56 | N28 | H562 | 120.0° | 119.9° |
| C57 | C56 | N28 | H561 | 120.0° | 120.0° |
| C57 | C56 | N28 | C27 | 66.7° | 63.0° |
| C57 | C56 | N28 | C29 | 158.0° | 172.7° |
| C57 | C56 | H562 | H561 | 120.1° | 120.0° |
| C56 | C57 | H571 | H572 | 115.9° | 120.4° |
| C26 | C27 | N28 | C56 | 64.8° | 63.1° |
| C26 | C27 | N28 | H271 | 120.4° | 120.1° |
| C26 | C27 | N28 | H272 | 120.4° | 120.0° |
| C26 | C27 | N28 | C29 | 157.3° | 172.7° |
| C27 | C26 | H261 | H262 | 116.2° | 120.4° |
| C26 | C27 | H271 | H272 | 118.8° | 120.0° |
| C56 | N28 | C27 | C29 | 137.8° | 124.2° |
| C56 | N28 | C29 | C30 | 65.1° | 65.7° |
| C56 | N28 | C27 | H271 | 174.8° | 176.9° |
| C56 | N28 | C27 | H272 | 55.5° | 56.9° |
| C56 | N28 | C29 | H291 | 173.6° | 54.4° |
| C56 | N28 | C29 | H292 | 56.2° | 174.3° |
| N28 | C56 | H562 | H561 | 120.0° | 120.1° |
| N28 | C56 | C57 | H571 | 168.5° | 65.9° |
| N28 | C56 | C57 | H572 | 74.1° | 173.7° |
| C27 | N28 | C29 | C30 | 163.3° | 170.0° |
| N28 | C27 | C26 | H261 | 79.9° | 173.5° |
| N28 | C27 | C26 | H262 | 162.5° | 66.1° |
| N28 | C27 | H271 | H272 | 118.8° | 120.0° |
| C27 | N28 | C29 | H291 | 42.0° | 70.0° |
| C27 | N28 | C29 | H292 | 75.4° | 49.9° |
| C27 | N28 | C56 | H562 | 53.3° | 56.9° |
| C27 | N28 | C56 | H561 | 173.3° | 177.0° |
| N28 | C29 | C30 | H291 | 121.3° | 120.0° |
| N28 | C29 | C30 | H292 | 121.3° | 120.0° |
| N28 | C29 | C30 | N31 | 116.0° | 180.0° |
| C29 | N28 | C27 | H271 | 37.0° | 52.7° |
| C29 | N28 | C27 | H272 | 82.3° | 67.3° |
| N28 | C29 | H291 | H292 | 116.0° | 119.9° |
| N28 | C29 | C30 | H302 | 122.5° | 60.0° |
| N28 | C29 | C30 | H301 | 5.6° | 60.0° |
| C29 | N28 | C56 | H562 | 82.0° | 67.4° |
| C29 | N28 | C56 | H561 | 38.0° | 52.7° |
| C29 | C30 | N31 | H302 | 121.5° | 120.0° |
| C29 | C30 | N31 | H301 | 121.5° | 120.0° |
| C29 | C30 | N31 | C32 | 88.6° | 180.0° |
| C30 | C29 | H291 | H292 | 116.0° | 120.0° |
| C29 | C30 | H302 | H301 | 115.1° | 120.0° |
| C29 | C30 | N31 | H311 | 91.4° | 0.0° |
| C30 | N31 | C32 | H311 | 180.0° | 180.0° |
| C30 | N31 | C32 | O55 | 3.8° | 0.0° |
| C30 | N31 | C32 | C33 | 178.8° | 179.9° |
| N31 | C30 | C29 | H291 | 5.3° | 60.0° |
| N31 | C30 | C29 | H292 | 122.8° | 60.0° |
| N31 | C30 | H302 | H301 | 115.0° | 120.0° |
| N31 | C32 | O55 | C33 | 177.5° | 179.9° |
| N31 | C32 | C33 | C54 | 34.6° | 0.3° |
| N31 | C32 | C33 | C34 | 146.0° | 180.0° |
| C32 | N31 | C30 | H302 | 32.9° | 60.0° |
| C32 | N31 | C30 | H301 | 149.8° | 60.0° |
| O55 | C32 | C33 | C54 | 147.9° | 179.8° |
| O55 | C32 | C33 | C34 | 31.4° | 0.1° |
| O55 | C32 | N31 | H311 | 176.2° | 180.0° |
| C32 | C33 | C54 | C34 | 179.4° | 179.7° |
| C32 | C33 | C54 | C53 | 179.1° | 179.8° |
| C32 | C33 | C34 | C35 | 179.2° | 180.0° |
| C32 | C33 | C34 | H341 | 0.8° | 0.0° |
| C32 | C33 | C54 | H541 | 0.9° | 0.0° |
| C33 | C32 | N31 | H311 | 1.2° | 0.0° |
| C33 | C54 | C53 | H541 | 180.0° | 179.8° |
| C33 | C54 | C53 | C52 | 0.8° | 0.6° |
| C54 | C33 | C34 | C35 | 1.4° | 0.3° |
| C54 | C33 | C34 | H341 | 178.6° | 179.7° |
| C33 | C54 | C53 | H531 | 179.2° | 179.6° |
| C53 | C54 | C33 | C34 | 1.5° | 0.6° |
| C54 | C53 | C52 | H531 | 180.0° | 179.8° |
| C54 | C53 | C52 | C35 | 0.1° | 0.3° |
| C54 | C53 | C52 | H521 | 179.9° | 179.8° |
| C33 | C34 | C35 | H341 | 180.0° | 180.0° |
| C33 | C34 | C35 | C52 | 0.5° | 0.0° |
| C33 | C34 | C35 | C36 | 179.5° | 180.0° |
| C34 | C33 | C54 | H541 | 178.5° | 179.7° |
| C53 | C52 | C35 | C34 | 0.3° | 0.0° |
| C53 | C52 | C35 | H521 | 180.0° | 179.9° |
| C53 | C52 | C35 | C36 | 179.7° | 180.0° |
| C52 | C53 | C54 | H541 | 179.2° | 179.7° |
| C34 | C35 | C52 | C36 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.5° | 172.1° |
| C34 | C35 | C52 | H521 | 179.7° | 179.9° |
| C52 | C35 | C36 | C37 | 179.6° | 7.8° |
| C52 | C35 | C34 | H341 | 179.5° | 180.0° |
| C35 | C52 | C53 | H531 | 179.9° | 179.9° |
| C35 | C36 | C37 | C38 | 0.9° | 72.6° |
| C36 | C35 | C34 | H341 | 0.5° | 0.0° |
| C36 | C35 | C52 | H521 | 0.3° | 0.1° |
| C36 | C37 | C38 | O51 | 2.4° | 99.8° |
| C36 | C37 | C38 | C39 | 178.7° | 80.6° |
| C37 | C38 | O51 | C39 | 179.0° | 179.7° |
| C37 | C38 | O51 | C50 | 179.6° | 179.9° |
| C37 | C38 | C39 | C40 | 1.0° | 0.0° |
| C37 | C38 | C39 | C44 | 179.5° | 179.9° |
| C38 | O51 | C50 | C49 | 179.0° | 179.9° |
| C38 | O51 | C50 | C44 | 0.3° | 0.4° |
| O51 | C38 | C39 | C40 | 178.0° | 179.7° |
| O51 | C38 | C39 | C44 | 0.6° | 0.2° |
| C50 | O51 | C38 | C39 | 0.6° | 0.4° |
| O51 | C50 | C49 | C44 | 179.3° | 179.7° |
| O51 | C50 | C44 | C39 | 0.1° | 0.2° |
| O51 | C50 | C49 | C48 | 179.9° | 179.7° |
| O51 | C50 | C44 | C45 | 180.0° | 179.8° |
| O51 | C50 | C49 | H491 | 0.1° | 0.3° |
| C38 | C39 | C44 | C50 | 0.4° | 0.0° |
| C38 | C39 | C40 | C44 | 178.2° | 179.9° |
| C38 | C39 | C40 | C41 | 117.6° | 90.0° |
| C38 | C39 | C44 | C45 | 179.7° | 179.9° |
| C38 | C39 | C40 | H402 | 121.9° | 150.0° |
| C38 | C39 | C40 | H401 | 3.0° | 30.1° |
| O42 | C41 | C40 | C39 | 82.2° | 0.0° |
| O42 | C41 | C40 | O43 | 179.5° | 180.0° |
| O42 | C41 | C40 | H402 | 157.2° | 119.9° |
| O42 | C41 | C40 | H401 | 38.3° | 120.0° |
| O42 | C41 | O43 | H3 | 0.0° | 0.0° |
| C49 | C50 | C44 | C39 | 179.5° | 180.0° |
| C50 | C49 | C48 | H491 | 180.0° | 179.9° |
| C49 | C50 | C44 | C45 | 0.6° | 0.1° |
| C50 | C49 | C48 | C46 | 0.3° | 0.0° |
| C50 | C49 | C48 | H481 | 179.7° | 180.0° |
| C50 | C44 | C39 | C40 | 178.3° | 179.9° |
| C50 | C44 | C39 | C45 | 179.9° | 179.9° |
| C44 | C50 | C49 | C48 | 0.6° | 0.1° |
| C50 | C44 | C45 | C46 | 0.2° | 0.0° |
| C50 | C44 | C45 | H451 | 179.8° | 180.0° |
| C44 | C50 | C49 | H491 | 179.4° | 180.0° |
| C39 | C40 | C41 | H402 | 120.6° | 119.9° |
| C39 | C40 | C41 | H401 | 120.6° | 120.0° |
| C39 | C40 | C41 | O43 | 97.3° | 180.0° |
| C40 | C39 | C44 | C45 | 1.7° | 0.1° |
| C39 | C40 | H402 | H401 | 118.2° | 119.9° |
| C44 | C39 | C40 | C41 | 60.7° | 89.9° |
| C39 | C44 | C45 | C46 | 179.9° | 180.0° |
| C44 | C39 | C40 | H402 | 59.9° | 30.1° |
| C44 | C39 | C40 | H401 | 178.8° | 150.0° |
| C39 | C44 | C45 | H451 | 0.1° | 0.0° |
| C49 | C48 | C46 | H481 | 180.0° | 180.0° |
| C49 | C48 | C46 | C45 | 0.1° | 0.0° |
| C49 | C48 | C46 | C47 | 178.8° | 180.0° |
| C41 | C40 | H402 | H401 | 118.2° | 120.1° |
| C40 | C41 | O43 | H3 | 179.6° | 180.0° |
| O43 | C41 | C40 | H402 | 23.3° | 60.1° |
| O43 | C41 | C40 | H401 | 142.2° | 60.0° |
| C44 | C45 | C46 | C48 | 0.2° | 0.0° |
| C44 | C45 | C46 | H451 | 180.0° | 180.0° |
| C44 | C45 | C46 | C47 | 178.7° | 180.0° |
| C48 | C46 | C45 | C47 | 178.9° | 180.0° |
| C48 | C46 | C45 | H451 | 179.8° | 180.0° |
| C48 | C46 | C47 | H473 | 90.5° | 90.0° |
| C48 | C46 | C47 | H471 | 149.5° | 30.0° |
| C48 | C46 | C47 | H472 | 29.5° | 150.1° |
| C46 | C48 | C49 | H491 | 179.7° | 180.0° |
| C45 | C46 | C47 | H473 | 90.6° | 90.0° |
| C45 | C46 | C47 | H471 | 29.4° | 150.0° |
| C45 | C46 | C47 | H472 | 149.4° | 30.0° |
| C45 | C46 | C48 | H481 | 179.9° | 180.0° |
| C47 | C46 | C45 | H451 | 1.3° | 0.0° |
| C46 | C47 | H473 | H471 | 120.0° | 120.1° |
| C46 | C47 | H473 | H472 | 120.0° | 120.0° |
| C46 | C47 | H471 | H472 | 120.0° | 120.0° |
| C47 | C46 | C48 | H481 | 1.2° | 0.0° |
| H201 | C20 | C21 | H211 | 0.1° | 0.1° |
| H261 | C26 | C27 | H271 | 40.5° | 66.5° |
| H261 | C26 | C27 | H272 | 159.7° | 53.5° |
| H262 | C26 | C27 | H271 | 77.2° | 54.0° |
| H262 | C26 | C27 | H272 | 42.1° | 174.0° |
| H041 | C04 | C05 | H051 | 0.2° | 0.0° |
| H051 | C05 | C06 | H061 | 0.0° | 0.1° |
| H193 | C19 | H192 | H191 | 120.0° | 120.0° |
| H291 | C29 | C30 | H302 | 116.2° | 60.1° |
| H291 | C29 | C30 | H301 | 126.8° | 180.0° |
| H292 | C29 | C30 | H302 | 1.2° | 180.0° |
| H292 | C29 | C30 | H301 | 115.7° | 60.0° |
| H302 | C30 | N31 | H311 | 147.1° | 120.0° |
| H301 | C30 | N31 | H311 | 30.2° | 120.0° |
| H473 | C47 | H471 | H472 | 120.0° | 120.0° |
| H481 | C48 | C49 | H491 | 0.3° | 0.1° |
| H521 | C52 | C53 | H531 | 0.1° | 0.0° |
| H531 | C53 | C54 | H541 | 0.8° | 0.1° |
| H562 | C56 | C57 | H571 | 48.5° | 174.2° |
| H562 | C56 | C57 | H572 | 165.9° | 53.7° |
| H561 | C56 | C57 | H571 | 71.5° | 54.1° |
| H561 | C56 | C57 | H572 | 45.9° | 66.3° |
