O8V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C39 | C38 | doub | 1.36Å | 1.39Å | Aromatic |
| C39 | C34 | sing | 1.40Å | 1.42Å | Aromatic |
| C38 | C37 | sing | 1.39Å | 1.39Å | Aromatic |
| C33 | C34 | doub | 1.40Å | 1.42Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C34 | C35 | sing | 1.42Å | 1.43Å | Aromatic |
| C37 | C36 | doub | 1.36Å | 1.39Å | Aromatic |
| C32 | N31 | sing | 1.40Å | 1.40Å | |
| C32 | N41 | doub | 1.33Å | 1.36Å | Aromatic |
| N31 | C30 | sing | 1.35Å | 1.38Å | |
| C35 | C36 | sing | 1.41Å | 1.41Å | Aromatic |
| C35 | C40 | doub | 1.40Å | 1.41Å | Aromatic |
| O29 | C30 | sing | 1.35Å | 1.34Å | |
| O29 | C28 | sing | 1.45Å | 1.43Å | |
| N41 | C40 | sing | 1.31Å | 1.35Å | Aromatic |
| C30 | O42 | doub | 1.22Å | 1.23Å | |
| C28 | C26 | sing | 1.53Å | 1.55Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C26 | C25 | sing | 1.53Å | 1.55Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C23 | C25 | sing | 1.53Å | 1.56Å | |
| C23 | C22 | sing | 1.51Å | 1.52Å | |
| C25 | O43 | sing | 1.45Å | 1.43Å | |
| O43 | C44 | sing | 1.34Å | 1.35Å | |
| C22 | C21 | doub | 1.33Å | 1.34Å | |
| C21 | C02 | sing | 1.47Å | 1.43Å | |
| C44 | C45 | sing | 1.51Å | 1.52Å | |
| C44 | O52 | doub | 1.21Å | 1.23Å | |
| C45 | C46 | sing | 1.53Å | 1.54Å | |
| C45 | N49 | sing | 1.46Å | 1.48Å | |
| C46 | C47 | sing | 1.53Å | 1.50Å | |
| C47 | C48 | sing | 1.53Å | 1.51Å | |
| O51 | C50 | doub | 1.22Å | 1.23Å | |
| C02 | N03 | sing | 1.36Å | 1.33Å | |
| C02 | O01 | doub | 1.22Å | 1.23Å | |
| N49 | C50 | sing | 1.35Å | 1.36Å | |
| N49 | C48 | sing | 1.46Å | 1.47Å | |
| N03 | C04 | sing | 1.49Å | 1.45Å | |
| C50 | C16 | sing | 1.47Å | 1.45Å | |
| C04 | C05 | sing | 1.51Å | 1.51Å | |
| C16 | C17 | doub | 1.36Å | 1.38Å | Aromatic |
| C16 | N15 | sing | 1.36Å | 1.33Å | Aromatic |
| C17 | O18 | sing | 1.34Å | 1.35Å | Aromatic |
| C05 | C06 | doub | 1.33Å | 1.34Å | |
| N15 | C14 | doub | 1.30Å | 1.31Å | Aromatic |
| C08 | C07 | sing | 1.51Å | 1.52Å | |
| O18 | C14 | sing | 1.34Å | 1.35Å | Aromatic |
| C06 | C07 | sing | 1.47Å | 1.45Å | |
| C14 | C13 | sing | 1.51Å | 1.52Å | |
| C07 | C09 | doub | 1.33Å | 1.35Å | |
| C13 | C12 | sing | 1.51Å | 1.52Å | |
| C09 | C10 | sing | 1.51Å | 1.51Å | |
| C12 | C11 | sing | 1.50Å | 1.50Å | |
| C12 | O19 | doub | 1.21Å | 1.23Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | O20 | sing | 1.43Å | 1.40Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H083 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.08Å | 1.08Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.08Å | 1.08Å | |
| C40 | H401 | sing | 1.08Å | 1.08Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N31 | H311 | sing | 0.97Å | 1.00Å | |
| O20 | H201 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C38 | C39 | C34 | 120.2° | 119.5° |
| C39 | C38 | C37 | 120.7° | 121.0° |
| C39 | C38 | H381 | 119.6° | 119.5° |
| C38 | C39 | H391 | 119.9° | 120.2° |
| C39 | C34 | C33 | 122.5° | 122.1° |
| C39 | C34 | C35 | 118.8° | 119.6° |
| C34 | C39 | H391 | 119.9° | 120.3° |
| C38 | C37 | C36 | 120.7° | 121.2° |
| C38 | C37 | H371 | 119.7° | 119.4° |
| C37 | C38 | H381 | 119.7° | 119.5° |
| C34 | C33 | C32 | 119.3° | 118.5° |
| C33 | C34 | C35 | 118.7° | 118.3° |
| C34 | C33 | H331 | 120.4° | 120.7° |
| C33 | C32 | N31 | 116.3° | 119.2° |
| C33 | C32 | N41 | 122.5° | 121.5° |
| C32 | C33 | H331 | 120.3° | 120.7° |
| C34 | C35 | C36 | 119.7° | 119.3° |
| C34 | C35 | C40 | 117.0° | 118.8° |
| C37 | C36 | C35 | 119.9° | 119.5° |
| C37 | C36 | H361 | 120.1° | 120.3° |
| C36 | C37 | H371 | 119.7° | 119.4° |
| N31 | C32 | N41 | 121.2° | 119.3° |
| C32 | N31 | C30 | 128.2° | 120.0° |
| C32 | N31 | H311 | 115.9° | 120.0° |
| C32 | N41 | C40 | 118.2° | 122.7° |
| N31 | C30 | O29 | 108.2° | 120.0° |
| N31 | C30 | O42 | 127.5° | 120.0° |
| C30 | N31 | H311 | 115.9° | 120.0° |
| C36 | C35 | C40 | 123.3° | 121.9° |
| C35 | C36 | H361 | 120.0° | 120.2° |
| C35 | C40 | N41 | 124.3° | 120.1° |
| C35 | C40 | H401 | 117.9° | 119.9° |
| C30 | O29 | C28 | 120.4° | 117.0° |
| O29 | C30 | O42 | 124.0° | 120.0° |
| O29 | C28 | C26 | 112.7° | 109.4° |
| O29 | C28 | H281 | 108.7° | 109.5° |
| O29 | C28 | H282 | 108.7° | 109.5° |
| N41 | C40 | H401 | 117.9° | 120.0° |
| C28 | C26 | C27 | 112.2° | 109.5° |
| C28 | C26 | C25 | 112.2° | 109.5° |
| C28 | C26 | H261 | 107.1° | 109.5° |
| C26 | C28 | H281 | 108.7° | 109.4° |
| C26 | C28 | H282 | 108.7° | 109.4° |
| C27 | C26 | C25 | 110.6° | 109.5° |
| C27 | C26 | H261 | 107.2° | 109.4° |
| C26 | C27 | H272 | 109.5° | 109.4° |
| C26 | C27 | H271 | 109.5° | 109.5° |
| C26 | C27 | H273 | 109.5° | 109.5° |
| C26 | C25 | C23 | 115.7° | 109.4° |
| C26 | C25 | O43 | 109.8° | 109.3° |
| C25 | C26 | H261 | 107.2° | 109.4° |
| C26 | C25 | H251 | 107.3° | 109.4° |
| C24 | C23 | C25 | 112.7° | 109.6° |
| C24 | C23 | C22 | 113.8° | 109.6° |
| C23 | C24 | H242 | 109.5° | 109.5° |
| C23 | C24 | H243 | 109.5° | 109.5° |
| C23 | C24 | H241 | 109.5° | 109.4° |
| C24 | C23 | H231 | 106.0° | 109.6° |
| C25 | C23 | C22 | 111.6° | 108.6° |
| C23 | C25 | O43 | 107.7° | 110.0° |
| C25 | C23 | H231 | 105.9° | 109.6° |
| C23 | C25 | H251 | 107.3° | 109.3° |
| C23 | C22 | C21 | 126.5° | 120.1° |
| C23 | C22 | H221 | 116.8° | 119.4° |
| C22 | C23 | H231 | 106.2° | 109.7° |
| C25 | O43 | C44 | 122.2° | 116.4° |
| O43 | C25 | H251 | 108.9° | 109.4° |
| O43 | C44 | C45 | 111.1° | 120.6° |
| O43 | C44 | O52 | 125.4° | 119.7° |
| C22 | C21 | C02 | 122.3° | 120.1° |
| C22 | C21 | H211 | 118.8° | 119.8° |
| C21 | C22 | H221 | 116.8° | 120.5° |
| C21 | C02 | N03 | 112.5° | 120.0° |
| C21 | C02 | O01 | 124.0° | 120.0° |
| C02 | C21 | H211 | 118.9° | 120.2° |
| C45 | C44 | O52 | 123.4° | 119.7° |
| C44 | C45 | C46 | 110.3° | 109.8° |
| C44 | C45 | N49 | 119.4° | 109.8° |
| C44 | C45 | H451 | 107.8° | 109.8° |
| C46 | C45 | N49 | 103.0° | 107.9° |
| C45 | C46 | C47 | 104.5° | 106.2° |
| C46 | C45 | H451 | 107.6° | 110.0° |
| C45 | C46 | H462 | 110.7° | 110.1° |
| C45 | C46 | H461 | 110.7° | 110.1° |
| C45 | N49 | C50 | 122.9° | 125.1° |
| C45 | N49 | C48 | 109.8° | 109.2° |
| N49 | C45 | H451 | 108.2° | 109.6° |
| C46 | C47 | C48 | 101.9° | 106.0° |
| C47 | C46 | H462 | 110.7° | 110.1° |
| C47 | C46 | H461 | 110.7° | 110.1° |
| C46 | C47 | H472 | 111.3° | 110.1° |
| C46 | C47 | H471 | 111.3° | 110.1° |
| C47 | C48 | N49 | 105.5° | 108.1° |
| C48 | C47 | H472 | 111.3° | 110.2° |
| C48 | C47 | H471 | 111.3° | 110.2° |
| C47 | C48 | H482 | 110.4° | 109.8° |
| C47 | C48 | H481 | 110.4° | 109.8° |
| O51 | C50 | N49 | 121.5° | 119.1° |
| O51 | C50 | C16 | 118.5° | 119.2° |
| N03 | C02 | O01 | 123.4° | 120.0° |
| C02 | N03 | C04 | 126.1° | 115.2° |
| C02 | N03 | H031 | 117.0° | 122.4° |
| C50 | N49 | C48 | 126.9° | 125.7° |
| N49 | C50 | C16 | 120.0° | 121.7° |
| N49 | C48 | H482 | 110.4° | 109.7° |
| N49 | C48 | H481 | 110.5° | 109.7° |
| N03 | C04 | C05 | 110.0° | 107.0° |
| N03 | C04 | H042 | 109.4° | 109.9° |
| N03 | C04 | H041 | 109.3° | 110.0° |
| C04 | N03 | H031 | 116.9° | 122.4° |
| C50 | C16 | C17 | 123.4° | 127.3° |
| C50 | C16 | N15 | 128.3° | 125.7° |
| C04 | C05 | C06 | 125.1° | 120.1° |
| C05 | C04 | H042 | 109.3° | 110.0° |
| C05 | C04 | H041 | 109.3° | 110.0° |
| C04 | C05 | H051 | 117.4° | 120.0° |
| C17 | C16 | N15 | 108.1° | 107.0° |
| C16 | C17 | O18 | 108.6° | 107.1° |
| C16 | C17 | H171 | 125.7° | 126.4° |
| C16 | N15 | C14 | 106.0° | 108.4° |
| C17 | O18 | C14 | 103.6° | 108.1° |
| O18 | C17 | H171 | 125.7° | 126.5° |
| C05 | C06 | C07 | 125.8° | 119.8° |
| C06 | C05 | H051 | 117.4° | 119.9° |
| C05 | C06 | H061 | 117.1° | 120.4° |
| N15 | C14 | O18 | 113.6° | 109.4° |
| N15 | C14 | C13 | 130.5° | 125.2° |
| C08 | C07 | C06 | 121.9° | 120.2° |
| C08 | C07 | C09 | 119.9° | 119.8° |
| C07 | C08 | H081 | 109.5° | 109.5° |
| C07 | C08 | H083 | 109.4° | 109.5° |
| C07 | C08 | H082 | 109.5° | 109.4° |
| O18 | C14 | C13 | 115.9° | 125.4° |
| C06 | C07 | C09 | 117.7° | 120.0° |
| C07 | C06 | H061 | 117.1° | 119.8° |
| C14 | C13 | C12 | 117.7° | 109.1° |
| C14 | C13 | H132 | 107.4° | 109.5° |
| C14 | C13 | H131 | 107.4° | 109.6° |
| C07 | C09 | C10 | 125.4° | 119.6° |
| C07 | C09 | H092 | 117.3° | 120.1° |
| C13 | C12 | C11 | 116.0° | 120.2° |
| C13 | C12 | O19 | 121.6° | 119.9° |
| C12 | C13 | H132 | 107.4° | 109.6° |
| C12 | C13 | H131 | 107.4° | 109.5° |
| C09 | C10 | C11 | 109.0° | 109.5° |
| C09 | C10 | O20 | 109.1° | 109.5° |
| C09 | C10 | H101 | 109.2° | 109.5° |
| C10 | C09 | H092 | 117.3° | 120.3° |
| C11 | C12 | O19 | 122.3° | 119.9° |
| C12 | C11 | C10 | 116.5° | 109.7° |
| C12 | C11 | H112 | 107.7° | 109.4° |
| C12 | C11 | H111 | 107.7° | 109.5° |
| C11 | C10 | O20 | 109.8° | 109.5° |
| C11 | C10 | H101 | 109.0° | 109.4° |
| C10 | C11 | H112 | 107.7° | 109.4° |
| C10 | C11 | H111 | 107.7° | 109.4° |
| O20 | C10 | H101 | 110.8° | 109.5° |
| C10 | O20 | H201 | 109.5° | 114.0° |
| H132 | C13 | H131 | 109.4° | 109.6° |
| H242 | C24 | H243 | 109.5° | 109.5° |
| H242 | C24 | H241 | 109.5° | 109.5° |
| H243 | C24 | H241 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H042 | C04 | H041 | 109.5° | 109.9° |
| H081 | C08 | H083 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H083 | C08 | H082 | 109.5° | 109.5° |
| H112 | C11 | H111 | 109.4° | 109.4° |
| H272 | C27 | H271 | 109.5° | 109.4° |
| H272 | C27 | H273 | 109.5° | 109.5° |
| H271 | C27 | H273 | 109.5° | 109.5° |
| H462 | C46 | H461 | 109.4° | 110.1° |
| H472 | C47 | H471 | 109.5° | 110.2° |
| H482 | C48 | H481 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C38 | C39 | C34 | H391 | 180.0° | 180.0° |
| C39 | C38 | C37 | H381 | 180.0° | 179.9° |
| C38 | C39 | C34 | C33 | 178.2° | 180.0° |
| C38 | C39 | C34 | C35 | 0.9° | 0.0° |
| C39 | C38 | C37 | C36 | 0.0° | 0.0° |
| C39 | C38 | C37 | H371 | 180.0° | 180.0° |
| C34 | C39 | C38 | C37 | 0.5° | 0.1° |
| C39 | C34 | C33 | C35 | 179.2° | 180.0° |
| C39 | C34 | C33 | C32 | 179.3° | 179.9° |
| C39 | C34 | C35 | C36 | 0.9° | 0.0° |
| C39 | C34 | C35 | C40 | 179.4° | 180.0° |
| C39 | C34 | C33 | H331 | 0.7° | 0.0° |
| C34 | C39 | C38 | H381 | 179.5° | 180.0° |
| C38 | C37 | C36 | H371 | 180.0° | 180.0° |
| C38 | C37 | C36 | C35 | 0.1° | 0.0° |
| C38 | C37 | C36 | H361 | 180.0° | 180.0° |
| C37 | C38 | C39 | H391 | 179.5° | 180.0° |
| C34 | C33 | C32 | H331 | 180.0° | 179.9° |
| C34 | C33 | C32 | N31 | 176.5° | 180.0° |
| C34 | C33 | C32 | N41 | 1.5° | 0.3° |
| C33 | C34 | C35 | C36 | 178.3° | 180.0° |
| C33 | C34 | C35 | C40 | 1.4° | 0.1° |
| C33 | C34 | C39 | H391 | 1.8° | 0.0° |
| C32 | C33 | C34 | C35 | 0.2° | 0.1° |
| C33 | C32 | N31 | N41 | 178.0° | 179.7° |
| C33 | C32 | N31 | C30 | 159.1° | 174.4° |
| C33 | C32 | N41 | C40 | 1.8° | 0.6° |
| C33 | C32 | N31 | H311 | 20.8° | 5.6° |
| C34 | C35 | C36 | C37 | 0.4° | 0.0° |
| C34 | C35 | C36 | C40 | 179.7° | 179.9° |
| C34 | C35 | C40 | N41 | 1.2° | 0.3° |
| C35 | C34 | C33 | H331 | 179.8° | 180.0° |
| C34 | C35 | C36 | H361 | 179.6° | 180.0° |
| C35 | C34 | C39 | H391 | 179.1° | 180.0° |
| C34 | C35 | C40 | H401 | 178.8° | 180.0° |
| C37 | C36 | C35 | H361 | 180.0° | 179.9° |
| C37 | C36 | C35 | C40 | 179.9° | 179.9° |
| C36 | C37 | C38 | H381 | 180.0° | 179.9° |
| C32 | N31 | C30 | H311 | 180.0° | 180.0° |
| C32 | N31 | C30 | O29 | 164.7° | 175.4° |
| N31 | C32 | N41 | C40 | 176.1° | 179.7° |
| C32 | N31 | C30 | O42 | 9.3° | 4.7° |
| N31 | C32 | C33 | H331 | 3.5° | 0.1° |
| N41 | C32 | N31 | C30 | 18.9° | 5.9° |
| C32 | N41 | C40 | C35 | 0.4° | 0.6° |
| N41 | C32 | C33 | H331 | 178.5° | 179.8° |
| C32 | N41 | C40 | H401 | 179.6° | 179.7° |
| N41 | C32 | N31 | H311 | 161.1° | 174.1° |
| N31 | C30 | O29 | O42 | 174.3° | 179.9° |
| N31 | C30 | O29 | C28 | 150.6° | 180.0° |
| C36 | C35 | C40 | N41 | 178.6° | 179.7° |
| C35 | C36 | C37 | H371 | 179.9° | 180.0° |
| C36 | C35 | C40 | H401 | 1.4° | 0.1° |
| C35 | C40 | N41 | H401 | 180.0° | 179.6° |
| C40 | C35 | C36 | H361 | 0.1° | 0.0° |
| C30 | O29 | C28 | C26 | 96.9° | 180.0° |
| C30 | O29 | C28 | H281 | 142.6° | 60.1° |
| C30 | O29 | C28 | H282 | 23.6° | 60.0° |
| O29 | C30 | N31 | H311 | 15.2° | 4.7° |
| C28 | O29 | C30 | O42 | 23.7° | 0.1° |
| O29 | C28 | C26 | H281 | 120.5° | 120.0° |
| O29 | C28 | C26 | H282 | 120.5° | 120.0° |
| O29 | C28 | C26 | C27 | 48.9° | 95.1° |
| O29 | C28 | C26 | C25 | 174.2° | 144.8° |
| O29 | C28 | C26 | H261 | 68.5° | 24.9° |
| O29 | C28 | H281 | H282 | 118.5° | 120.1° |
| O42 | C30 | N31 | H311 | 170.7° | 175.3° |
| C28 | C26 | C27 | C25 | 126.2° | 120.0° |
| C28 | C26 | C27 | H261 | 117.3° | 120.0° |
| C28 | C26 | C25 | H261 | 117.3° | 120.0° |
| C28 | C26 | C25 | C23 | 58.8° | 150.1° |
| C28 | C26 | C25 | O43 | 179.1° | 89.3° |
| C26 | C28 | H281 | H282 | 118.5° | 120.0° |
| C28 | C26 | C25 | H251 | 60.9° | 30.4° |
| C28 | C26 | C27 | H272 | 180.0° | 39.8° |
| C28 | C26 | C27 | H271 | 60.0° | 80.1° |
| C28 | C26 | C27 | H273 | 60.0° | 159.8° |
| C27 | C26 | C25 | H261 | 116.6° | 119.9° |
| C27 | C26 | C25 | C23 | 175.0° | 89.8° |
| C27 | C26 | C25 | O43 | 52.9° | 30.7° |
| C27 | C26 | C28 | H281 | 169.4° | 24.8° |
| C27 | C26 | C28 | H282 | 71.6° | 144.9° |
| C27 | C26 | C25 | H251 | 65.3° | 150.5° |
| C26 | C27 | H272 | H271 | 120.0° | 120.0° |
| C26 | C27 | H272 | H273 | 120.0° | 120.0° |
| C26 | C27 | H271 | H273 | 120.0° | 120.1° |
| C26 | C25 | C23 | C24 | 64.8° | 117.4° |
| C26 | C25 | C23 | O43 | 123.2° | 120.1° |
| C26 | C25 | C23 | H251 | 119.7° | 119.8° |
| C26 | C25 | C23 | C22 | 165.8° | 2.4° |
| C26 | C25 | O43 | H251 | 117.2° | 119.8° |
| C26 | C25 | O43 | C44 | 138.2° | 52.4° |
| C25 | C26 | C28 | H281 | 65.3° | 95.2° |
| C25 | C26 | C28 | H282 | 53.7° | 24.8° |
| C26 | C25 | C23 | H231 | 50.6° | 122.3° |
| C25 | C26 | C27 | H272 | 53.8° | 80.2° |
| C25 | C26 | C27 | H271 | 66.2° | 159.8° |
| C25 | C26 | C27 | H273 | 173.8° | 39.8° |
| C24 | C23 | C25 | C22 | 129.4° | 119.8° |
| C24 | C23 | C25 | H231 | 115.4° | 120.4° |
| C24 | C23 | C22 | H231 | 116.2° | 120.4° |
| C24 | C23 | C25 | O43 | 58.4° | 122.5° |
| C24 | C23 | C22 | C21 | 18.7° | 85.8° |
| C24 | C23 | C22 | H221 | 161.3° | 96.4° |
| C23 | C24 | H242 | H243 | 120.0° | 120.1° |
| C23 | C24 | H242 | H241 | 120.0° | 119.9° |
| C23 | C24 | H243 | H241 | 120.0° | 120.0° |
| C24 | C23 | C25 | H251 | 175.5° | 2.4° |
| C25 | C23 | C22 | H231 | 114.9° | 119.8° |
| C23 | C25 | O43 | H251 | 116.0° | 120.1° |
| C23 | C25 | O43 | C44 | 95.1° | 172.6° |
| C25 | C23 | C22 | C21 | 110.2° | 154.4° |
| C25 | C23 | C22 | H221 | 69.8° | 23.3° |
| C25 | C23 | C24 | H242 | 180.0° | 60.0° |
| C25 | C23 | C24 | H243 | 60.0° | 180.0° |
| C25 | C23 | C24 | H241 | 60.0° | 60.0° |
| C23 | C25 | C26 | H261 | 58.5° | 30.1° |
| C22 | C23 | C25 | O43 | 71.0° | 117.7° |
| C23 | C22 | C21 | H221 | 180.0° | 177.7° |
| C23 | C22 | C21 | C02 | 173.6° | 174.2° |
| C23 | C22 | C21 | H211 | 6.4° | 6.0° |
| C22 | C23 | C24 | H242 | 51.7° | 179.2° |
| C22 | C23 | C24 | H243 | 68.3° | 60.8° |
| C22 | C23 | C24 | H241 | 171.7° | 59.2° |
| C22 | C23 | C25 | H251 | 46.0° | 122.2° |
| C25 | O43 | C44 | C45 | 168.5° | 179.2° |
| C25 | O43 | C44 | O52 | 8.4° | 0.8° |
| O43 | C25 | C26 | H261 | 63.6° | 150.6° |
| O43 | C25 | C23 | H231 | 173.8° | 2.1° |
| O43 | C44 | C45 | O52 | 176.9° | 180.0° |
| O43 | C44 | C45 | C46 | 84.2° | 132.5° |
| O43 | C44 | C45 | N49 | 156.9° | 109.1° |
| C44 | O43 | C25 | H251 | 20.9° | 67.4° |
| O43 | C44 | C45 | H451 | 32.9° | 11.4° |
| C22 | C21 | C02 | H211 | 180.0° | 179.9° |
| C22 | C21 | C02 | N03 | 167.0° | 176.9° |
| C22 | C21 | C02 | O01 | 10.9° | 3.1° |
| C21 | C22 | C23 | H231 | 134.9° | 34.6° |
| C21 | C02 | N03 | O01 | 178.0° | 180.0° |
| C21 | C02 | N03 | C04 | 177.2° | 164.6° |
| C02 | C21 | C22 | H221 | 6.4° | 3.6° |
| C21 | C02 | N03 | H031 | 2.8° | 15.5° |
| C44 | C45 | C46 | N49 | 128.5° | 119.6° |
| C44 | C45 | C46 | H451 | 117.3° | 120.9° |
| C44 | C45 | N49 | H451 | 123.8° | 120.7° |
| C44 | C45 | C46 | C47 | 159.1° | 129.9° |
| C44 | C45 | N49 | C50 | 54.4° | 44.1° |
| C44 | C45 | N49 | C48 | 132.3° | 136.0° |
| C44 | C45 | C46 | H462 | 81.6° | 110.9° |
| C44 | C45 | C46 | H461 | 39.9° | 10.7° |
| O52 | C44 | C45 | C46 | 92.7° | 47.5° |
| O52 | C44 | C45 | N49 | 26.2° | 70.9° |
| O52 | C44 | C45 | H451 | 150.1° | 168.5° |
| C46 | C45 | N49 | H451 | 113.7° | 119.7° |
| C45 | C46 | C47 | H462 | 119.2° | 119.2° |
| C45 | C46 | C47 | H461 | 119.2° | 119.2° |
| C45 | C46 | C47 | C48 | 39.3° | 0.8° |
| C46 | C45 | N49 | C50 | 176.9° | 163.7° |
| C46 | C45 | N49 | C48 | 9.8° | 16.4° |
| C45 | C46 | H462 | H461 | 122.3° | 121.6° |
| C45 | C46 | C47 | H472 | 79.4° | 118.4° |
| C45 | C46 | C47 | H471 | 158.1° | 120.0° |
| N49 | C45 | C46 | C47 | 30.7° | 10.3° |
| C45 | N49 | C48 | C47 | 14.6° | 16.0° |
| C45 | N49 | C50 | O51 | 5.8° | 2.9° |
| C45 | N49 | C50 | C48 | 172.1° | 179.8° |
| C45 | N49 | C50 | C16 | 174.4° | 177.1° |
| N49 | C45 | C46 | H462 | 149.9° | 129.5° |
| N49 | C45 | C46 | H461 | 88.5° | 108.9° |
| C45 | N49 | C48 | H482 | 134.0° | 103.8° |
| C45 | N49 | C48 | H481 | 104.8° | 135.7° |
| C46 | C47 | C48 | H472 | 118.7° | 119.1° |
| C46 | C47 | C48 | H471 | 118.8° | 119.2° |
| C46 | C47 | C48 | N49 | 33.2° | 9.1° |
| C47 | C46 | C45 | H451 | 83.5° | 109.2° |
| C47 | C46 | H462 | H461 | 122.3° | 121.6° |
| C46 | C47 | H472 | H471 | 123.5° | 121.7° |
| C46 | C47 | C48 | H482 | 152.6° | 110.6° |
| C46 | C47 | C48 | H481 | 86.2° | 128.7° |
| C47 | C48 | N49 | C50 | 158.4° | 164.2° |
| C47 | C48 | N49 | H482 | 119.4° | 119.7° |
| C47 | C48 | N49 | H481 | 119.4° | 119.7° |
| C48 | C47 | C46 | H462 | 158.6° | 119.9° |
| C48 | C47 | C46 | H461 | 79.9° | 118.5° |
| C48 | C47 | H472 | H471 | 123.5° | 121.8° |
| C47 | C48 | H482 | H481 | 121.8° | 120.7° |
| O51 | C50 | N49 | C16 | 179.7° | 180.0° |
| O51 | C50 | N49 | C48 | 166.3° | 177.3° |
| O51 | C50 | C16 | C17 | 11.0° | 177.6° |
| O51 | C50 | C16 | N15 | 164.3° | 3.0° |
| C02 | N03 | C04 | H031 | 180.0° | 179.9° |
| C02 | N03 | C04 | C05 | 122.4° | 83.1° |
| N03 | C02 | C21 | H211 | 13.0° | 3.0° |
| C02 | N03 | C04 | H042 | 117.5° | 157.5° |
| C02 | N03 | C04 | H041 | 2.3° | 36.3° |
| O01 | C02 | N03 | C04 | 0.7° | 15.5° |
| O01 | C02 | C21 | H211 | 169.1° | 177.0° |
| O01 | C02 | N03 | H031 | 179.3° | 164.5° |
| N49 | C50 | C16 | C17 | 168.8° | 2.4° |
| N49 | C50 | C16 | N15 | 15.9° | 177.0° |
| C50 | N49 | C45 | H451 | 69.4° | 76.5° |
| C50 | N49 | C48 | H482 | 39.0° | 76.1° |
| C50 | N49 | C48 | H481 | 82.2° | 44.5° |
| C48 | N49 | C50 | C16 | 13.4° | 2.7° |
| C48 | N49 | C45 | H451 | 103.9° | 103.3° |
| N49 | C48 | C47 | H472 | 85.5° | 128.2° |
| N49 | C48 | C47 | H471 | 152.0° | 110.1° |
| N49 | C48 | H482 | H481 | 121.8° | 120.5° |
| N03 | C04 | C05 | H042 | 120.1° | 119.3° |
| N03 | C04 | C05 | H041 | 120.1° | 119.5° |
| N03 | C04 | C05 | C06 | 122.5° | 104.6° |
| N03 | C04 | H042 | H041 | 119.8° | 121.2° |
| N03 | C04 | C05 | H051 | 57.5° | 74.9° |
| C50 | C16 | C17 | N15 | 176.1° | 179.5° |
| C50 | C16 | C17 | O18 | 177.2° | 179.7° |
| C50 | C16 | N15 | C14 | 177.8° | 179.0° |
| C50 | C16 | C17 | H171 | 2.8° | 0.4° |
| C04 | C05 | C06 | H051 | 180.0° | 179.6° |
| C04 | C05 | C06 | C07 | 176.5° | 178.6° |
| C05 | C04 | H042 | H041 | 119.7° | 121.2° |
| C04 | C05 | C06 | H061 | 3.6° | 2.2° |
| C05 | C04 | N03 | H031 | 57.6° | 97.0° |
| C16 | C17 | O18 | H171 | 180.0° | 179.9° |
| C17 | C16 | N15 | C14 | 1.9° | 0.5° |
| C16 | C17 | O18 | C14 | 0.2° | 0.8° |
| N15 | C16 | C17 | O18 | 1.0° | 0.2° |
| C16 | N15 | C14 | O18 | 2.2° | 1.0° |
| C16 | N15 | C14 | C13 | 176.3° | 179.3° |
| N15 | C16 | C17 | H171 | 179.0° | 179.9° |
| C17 | O18 | C14 | N15 | 1.5° | 1.1° |
| C17 | O18 | C14 | C13 | 177.2° | 179.2° |
| C05 | C06 | C07 | C08 | 6.1° | 4.2° |
| C05 | C06 | C07 | H061 | 180.0° | 179.3° |
| C05 | C06 | C07 | C09 | 178.6° | 175.6° |
| C06 | C05 | C04 | H042 | 117.4° | 136.1° |
| C06 | C05 | C04 | H041 | 2.4° | 14.8° |
| N15 | C14 | O18 | C13 | 178.7° | 179.7° |
| N15 | C14 | C13 | C12 | 4.6° | 17.3° |
| N15 | C14 | C13 | H132 | 116.6° | 102.6° |
| N15 | C14 | C13 | H131 | 125.8° | 137.2° |
| C08 | C07 | C06 | C09 | 172.5° | 179.8° |
| C08 | C07 | C09 | C10 | 3.4° | 0.8° |
| C08 | C07 | C06 | H061 | 173.9° | 175.0° |
| C07 | C08 | H081 | H083 | 120.0° | 120.0° |
| C07 | C08 | H081 | H082 | 120.0° | 120.0° |
| C07 | C08 | H083 | H082 | 120.0° | 120.0° |
| C08 | C07 | C09 | H092 | 176.6° | 178.9° |
| O18 | C14 | C13 | C12 | 173.9° | 163.1° |
| O18 | C14 | C13 | H132 | 64.9° | 77.0° |
| O18 | C14 | C13 | H131 | 52.7° | 43.2° |
| C14 | O18 | C17 | H171 | 179.8° | 179.3° |
| C06 | C07 | C09 | C10 | 169.3° | 179.0° |
| C07 | C06 | C05 | H051 | 3.6° | 1.0° |
| C06 | C07 | C08 | H081 | 180.0° | 95.1° |
| C06 | C07 | C08 | H083 | 60.0° | 144.8° |
| C06 | C07 | C08 | H082 | 60.0° | 24.8° |
| C06 | C07 | C09 | H092 | 10.7° | 1.3° |
| C14 | C13 | C12 | H132 | 121.2° | 119.9° |
| C14 | C13 | C12 | H131 | 121.2° | 119.9° |
| C14 | C13 | C12 | C11 | 59.1° | 115.7° |
| C14 | C13 | C12 | O19 | 123.7° | 64.3° |
| C14 | C13 | H132 | H131 | 116.3° | 120.2° |
| C07 | C09 | C10 | H092 | 180.0° | 179.7° |
| C07 | C09 | C10 | C11 | 94.4° | 156.3° |
| C07 | C09 | C10 | O20 | 145.7° | 36.3° |
| C07 | C09 | C10 | H101 | 24.5° | 83.8° |
| C09 | C07 | C06 | H061 | 1.4° | 5.1° |
| C09 | C07 | C08 | H081 | 7.7° | 84.7° |
| C09 | C07 | C08 | H083 | 112.4° | 35.4° |
| C09 | C07 | C08 | H082 | 127.6° | 155.3° |
| C13 | C12 | C11 | O19 | 177.2° | 180.0° |
| C13 | C12 | C11 | C10 | 177.6° | 178.9° |
| C12 | C13 | H132 | H131 | 116.3° | 120.2° |
| C13 | C12 | C11 | H112 | 56.6° | 58.9° |
| C13 | C12 | C11 | H111 | 61.4° | 61.0° |
| C09 | C10 | C11 | C12 | 153.5° | 118.7° |
| C09 | C10 | C11 | O20 | 119.5° | 120.0° |
| C09 | C10 | C11 | H101 | 119.1° | 119.9° |
| C09 | C10 | O20 | H101 | 120.2° | 120.0° |
| C09 | C10 | C11 | H112 | 32.4° | 1.3° |
| C09 | C10 | C11 | H111 | 85.5° | 121.2° |
| C09 | C10 | O20 | H201 | 180.0° | 165.3° |
| C12 | C11 | C10 | H112 | 121.0° | 120.0° |
| C12 | C11 | C10 | H111 | 121.0° | 120.1° |
| C12 | C11 | C10 | O20 | 87.1° | 1.3° |
| C12 | C11 | C10 | H101 | 34.4° | 121.4° |
| C11 | C12 | C13 | H132 | 62.1° | 4.2° |
| C11 | C12 | C13 | H131 | 179.7° | 124.4° |
| C12 | C11 | H112 | H111 | 116.8° | 119.9° |
| O19 | C12 | C11 | C10 | 5.2° | 1.1° |
| O19 | C12 | C13 | H132 | 115.1° | 175.8° |
| O19 | C12 | C13 | H131 | 2.5° | 55.6° |
| O19 | C12 | C11 | H112 | 126.2° | 121.1° |
| O19 | C12 | C11 | H111 | 115.8° | 119.0° |
| C11 | C10 | O20 | H101 | 120.4° | 120.0° |
| C11 | C10 | C09 | H092 | 85.6° | 24.0° |
| C10 | C11 | H112 | H111 | 116.8° | 119.9° |
| C11 | C10 | O20 | H201 | 60.6° | 74.7° |
| O20 | C10 | C09 | H092 | 34.3° | 144.0° |
| O20 | C10 | C11 | H112 | 151.9° | 121.3° |
| O20 | C10 | C11 | H111 | 34.0° | 118.8° |
| H101 | C10 | C09 | H092 | 155.5° | 95.9° |
| H101 | C10 | C11 | H112 | 86.7° | 118.6° |
| H101 | C10 | C11 | H111 | 155.4° | 1.3° |
| H101 | C10 | O20 | H201 | 59.8° | 45.3° |
| H211 | C21 | C22 | H221 | 173.7° | 176.3° |
| H221 | C22 | C23 | H231 | 45.2° | 143.2° |
| H242 | C24 | H243 | H241 | 120.0° | 120.0° |
| H242 | C24 | C23 | H231 | 64.7° | 60.4° |
| H243 | C24 | C23 | H231 | 175.3° | 59.6° |
| H241 | C24 | C23 | H231 | 55.4° | 179.6° |
| H261 | C26 | C28 | H281 | 52.0° | 144.8° |
| H261 | C26 | C28 | H282 | 171.1° | 95.1° |
| H261 | C26 | C25 | H251 | 178.2° | 89.6° |
| H261 | C26 | C27 | H272 | 62.7° | 159.9° |
| H261 | C26 | C27 | H271 | 177.3° | 39.9° |
| H261 | C26 | C27 | H273 | 57.3° | 80.2° |
| H042 | C04 | C05 | H051 | 62.6° | 44.4° |
| H042 | C04 | N03 | H031 | 62.5° | 22.4° |
| H041 | C04 | C05 | H051 | 177.6° | 165.6° |
| H041 | C04 | N03 | H031 | 177.7° | 143.6° |
| H051 | C05 | C06 | H061 | 176.4° | 178.2° |
| H081 | C08 | H083 | H082 | 120.0° | 120.0° |
| H231 | C23 | C25 | H251 | 69.1° | 118.0° |
| H272 | C27 | H271 | H273 | 120.0° | 120.0° |
| H361 | C36 | C37 | H371 | 0.0° | 0.0° |
| H371 | C37 | C38 | H381 | 0.0° | 0.1° |
| H381 | C38 | C39 | H391 | 0.5° | 0.1° |
| H451 | C45 | C46 | H462 | 35.7° | 10.0° |
| H451 | C45 | C46 | H461 | 157.3° | 131.6° |
| H462 | C46 | C47 | H472 | 39.8° | 0.8° |
| H462 | C46 | C47 | H471 | 82.7° | 120.9° |
| H461 | C46 | C47 | H472 | 161.4° | 122.4° |
| H461 | C46 | C47 | H471 | 38.9° | 0.7° |
| H472 | C47 | C48 | H482 | 33.9° | 8.5° |
| H472 | C47 | C48 | H481 | 155.1° | 112.2° |
| H471 | C47 | C48 | H482 | 88.6° | 130.2° |
| H471 | C47 | C48 | H481 | 32.6° | 9.5° |
