O8P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C38 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
| C38 | C32 | sing | 1.39Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C37 | N36 | sing | 1.32Å | 1.36Å | Aromatic |
| N31 | C32 | sing | 1.40Å | 1.39Å | |
| N31 | C30 | sing | 1.35Å | 1.39Å | |
| C26 | C28 | sing | 1.53Å | 1.53Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C32 | C33 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| O39 | C30 | doub | 1.22Å | 1.22Å | |
| C28 | O29 | sing | 1.45Å | 1.42Å | |
| C30 | O29 | sing | 1.35Å | 1.35Å | |
| N36 | C34 | doub | 1.32Å | 1.36Å | Aromatic |
| C23 | C25 | sing | 1.53Å | 1.55Å | |
| C23 | C22 | sing | 1.51Å | 1.52Å | |
| C25 | O40 | sing | 1.45Å | 1.41Å | |
| C33 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | BR35 | sing | 1.89Å | 1.90Å | |
| O40 | C41 | sing | 1.34Å | 1.33Å | |
| C22 | C21 | doub | 1.33Å | 1.34Å | |
| C41 | C42 | sing | 1.50Å | 1.50Å | |
| C41 | O49 | doub | 1.21Å | 1.23Å | |
| C21 | C02 | sing | 1.47Å | 1.43Å | |
| C42 | C43 | sing | 1.54Å | 1.54Å | |
| C42 | N46 | sing | 1.47Å | 1.47Å | |
| C43 | C44 | sing | 1.54Å | 1.50Å | |
| O48 | C47 | doub | 1.22Å | 1.23Å | |
| C44 | C45 | sing | 1.54Å | 1.50Å | |
| N46 | C47 | sing | 1.34Å | 1.36Å | |
| N46 | C45 | sing | 1.46Å | 1.47Å | |
| C02 | N03 | sing | 1.36Å | 1.33Å | |
| C02 | O01 | doub | 1.22Å | 1.23Å | |
| C47 | C16 | sing | 1.46Å | 1.44Å | |
| N03 | C04 | sing | 1.47Å | 1.45Å | |
| C16 | C17 | doub | 1.35Å | 1.39Å | Aromatic |
| C16 | N15 | sing | 1.37Å | 1.32Å | Aromatic |
| C04 | C05 | sing | 1.51Å | 1.50Å | |
| C17 | O18 | sing | 1.34Å | 1.35Å | Aromatic |
| C05 | C06 | doub | 1.33Å | 1.34Å | |
| N15 | C14 | doub | 1.30Å | 1.30Å | Aromatic |
| C08 | C07 | sing | 1.51Å | 1.51Å | |
| O18 | C14 | sing | 1.34Å | 1.35Å | Aromatic |
| C06 | C07 | sing | 1.47Å | 1.45Å | |
| C14 | C13 | sing | 1.51Å | 1.50Å | |
| C07 | C09 | doub | 1.33Å | 1.35Å | |
| O19 | C12 | doub | 1.21Å | 1.23Å | |
| C13 | C12 | sing | 1.51Å | 1.52Å | |
| C12 | C11 | sing | 1.51Å | 1.51Å | |
| C09 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| 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 | H243 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | 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 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | 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) |
| C37 | C38 | C32 | 118.4° | 119.1° |
| C38 | C37 | N36 | 122.7° | 120.8° |
| C38 | C37 | H371 | 118.7° | 119.6° |
| C37 | C38 | H381 | 120.8° | 120.4° |
| C38 | C32 | N31 | 118.7° | 120.9° |
| C38 | C32 | C33 | 119.7° | 118.2° |
| C32 | C38 | H381 | 120.8° | 120.4° |
| C27 | C26 | C28 | 107.8° | 109.5° |
| C27 | C26 | C25 | 113.6° | 109.5° |
| C27 | C26 | H261 | 107.9° | 109.5° |
| C26 | C27 | H271 | 109.5° | 109.4° |
| C26 | C27 | H272 | 109.5° | 109.5° |
| C26 | C27 | H273 | 109.5° | 109.4° |
| C37 | N36 | C34 | 118.1° | 121.9° |
| N36 | C37 | H371 | 118.7° | 119.6° |
| C32 | N31 | C30 | 128.1° | 120.0° |
| N31 | C32 | C33 | 121.6° | 120.9° |
| C32 | N31 | H311 | 116.0° | 120.0° |
| N31 | C30 | O39 | 123.2° | 120.0° |
| N31 | C30 | O29 | 115.1° | 119.9° |
| C30 | N31 | H311 | 116.0° | 120.0° |
| C28 | C26 | C25 | 111.7° | 109.5° |
| C26 | C28 | O29 | 113.3° | 109.5° |
| C28 | C26 | H261 | 107.9° | 109.4° |
| C26 | C28 | H282 | 108.5° | 109.5° |
| C26 | C28 | H281 | 108.5° | 109.5° |
| C26 | C25 | C23 | 117.8° | 109.3° |
| C26 | C25 | O40 | 107.3° | 109.2° |
| C25 | C26 | H261 | 107.8° | 109.5° |
| C26 | C25 | H251 | 107.4° | 109.2° |
| C32 | C33 | C34 | 118.2° | 119.1° |
| C32 | C33 | H331 | 120.9° | 120.4° |
| C24 | C23 | C25 | 112.7° | 109.5° |
| C24 | C23 | C22 | 113.8° | 109.4° |
| C23 | C24 | H243 | 109.5° | 109.5° |
| C23 | C24 | H241 | 109.4° | 109.5° |
| C23 | C24 | H242 | 109.5° | 109.5° |
| C24 | C23 | H231 | 106.1° | 109.5° |
| O39 | C30 | O29 | 121.7° | 120.1° |
| C28 | O29 | C30 | 122.5° | 117.0° |
| O29 | C28 | H282 | 108.5° | 109.4° |
| O29 | C28 | H281 | 108.5° | 109.4° |
| N36 | C34 | C33 | 122.9° | 120.8° |
| N36 | C34 | BR35 | 116.4° | 119.6° |
| C25 | C23 | C22 | 111.3° | 109.5° |
| C23 | C25 | O40 | 107.9° | 110.6° |
| C25 | C23 | H231 | 105.9° | 109.4° |
| C23 | C25 | H251 | 107.3° | 109.2° |
| C23 | C22 | C21 | 126.7° | 120.7° |
| C23 | C22 | H221 | 116.6° | 119.7° |
| C22 | C23 | H231 | 106.3° | 109.4° |
| C25 | O40 | C41 | 121.9° | 117.1° |
| O40 | C25 | H251 | 109.1° | 109.3° |
| C33 | C34 | BR35 | 120.7° | 119.6° |
| C34 | C33 | H331 | 120.9° | 120.5° |
| O40 | C41 | C42 | 109.7° | 121.8° |
| O40 | C41 | O49 | 125.9° | 119.1° |
| C22 | C21 | C02 | 121.5° | 119.9° |
| C22 | C21 | H211 | 119.3° | 119.9° |
| C21 | C22 | H221 | 116.7° | 119.5° |
| C42 | C41 | O49 | 124.3° | 119.1° |
| C41 | C42 | C43 | 110.0° | 109.8° |
| C41 | C42 | N46 | 117.6° | 109.1° |
| C41 | C42 | H421 | 108.3° | 110.2° |
| C21 | C02 | N03 | 112.3° | 120.0° |
| C21 | C02 | O01 | 124.2° | 120.0° |
| C02 | C21 | H211 | 119.2° | 120.2° |
| C43 | C42 | N46 | 103.7° | 107.4° |
| C42 | C43 | C44 | 105.2° | 105.2° |
| C43 | C42 | H421 | 107.9° | 110.9° |
| C42 | C43 | H431 | 110.5° | 110.3° |
| C42 | C43 | H432 | 110.5° | 110.3° |
| C42 | N46 | C47 | 122.6° | 123.8° |
| C42 | N46 | C45 | 109.6° | 108.9° |
| N46 | C42 | H421 | 108.8° | 109.4° |
| C43 | C44 | C45 | 101.5° | 106.1° |
| C44 | C43 | H431 | 110.6° | 110.3° |
| C44 | C43 | H432 | 110.5° | 110.3° |
| C43 | C44 | H442 | 111.4° | 110.1° |
| C43 | C44 | H441 | 111.4° | 110.1° |
| O48 | C47 | N46 | 122.7° | 117.7° |
| O48 | C47 | C16 | 119.1° | 117.8° |
| C44 | C45 | N46 | 105.0° | 108.4° |
| C45 | C44 | H442 | 111.4° | 110.2° |
| C45 | C44 | H441 | 111.4° | 110.2° |
| C44 | C45 | H452 | 110.6° | 109.7° |
| C44 | C45 | H451 | 110.6° | 109.7° |
| C47 | N46 | C45 | 127.7° | 127.3° |
| N46 | C47 | C16 | 118.2° | 124.6° |
| N46 | C45 | H452 | 110.5° | 109.7° |
| N46 | C45 | H451 | 110.6° | 109.6° |
| N03 | C02 | O01 | 123.4° | 120.0° |
| C02 | N03 | C04 | 125.6° | 116.5° |
| C02 | N03 | H031 | 117.2° | 121.7° |
| C47 | C16 | C17 | 125.8° | 129.3° |
| C47 | C16 | N15 | 125.4° | 123.6° |
| N03 | C04 | C05 | 110.4° | 107.7° |
| N03 | C04 | H042 | 109.2° | 109.8° |
| N03 | C04 | H041 | 109.2° | 109.9° |
| C04 | N03 | H031 | 117.2° | 121.8° |
| C17 | C16 | N15 | 108.6° | 107.0° |
| C16 | C17 | O18 | 108.1° | 107.3° |
| C16 | C17 | H171 | 126.0° | 126.3° |
| C16 | N15 | C14 | 105.5° | 108.2° |
| C04 | C05 | C06 | 124.7° | 121.6° |
| C05 | C04 | H042 | 109.2° | 109.8° |
| C05 | C04 | H041 | 109.2° | 109.8° |
| C04 | C05 | H051 | 117.6° | 118.3° |
| C17 | O18 | C14 | 102.9° | 107.9° |
| O18 | C17 | H171 | 125.9° | 126.4° |
| C05 | C06 | C07 | 125.4° | 119.6° |
| C06 | C05 | H051 | 117.7° | 120.2° |
| C05 | C06 | H061 | 117.3° | 120.0° |
| N15 | C14 | O18 | 114.4° | 109.4° |
| N15 | C14 | C13 | 126.6° | 124.5° |
| C08 | C07 | C06 | 120.4° | 119.8° |
| C08 | C07 | C09 | 122.1° | 119.8° |
| C07 | C08 | H081 | 109.5° | 109.5° |
| C07 | C08 | H083 | 109.5° | 109.4° |
| C07 | C08 | H082 | 109.5° | 109.5° |
| O18 | C14 | C13 | 119.0° | 126.1° |
| C06 | C07 | C09 | 117.5° | 120.5° |
| C07 | C06 | H061 | 117.3° | 120.4° |
| C14 | C13 | C12 | 114.1° | 109.0° |
| C14 | C13 | H132 | 108.3° | 109.5° |
| C14 | C13 | H131 | 108.3° | 109.7° |
| C07 | C09 | C10 | 128.2° | 120.9° |
| C07 | C09 | H092 | 115.9° | 118.9° |
| O19 | C12 | C13 | 122.0° | 119.8° |
| O19 | C12 | C11 | 121.7° | 119.9° |
| C13 | C12 | C11 | 116.2° | 120.3° |
| C12 | C13 | H132 | 108.3° | 109.6° |
| C12 | C13 | H131 | 108.3° | 109.5° |
| C12 | C11 | C10 | 114.1° | 109.2° |
| C12 | C11 | H112 | 108.3° | 109.6° |
| C12 | C11 | H111 | 108.3° | 109.6° |
| C09 | C10 | C11 | 113.6° | 109.2° |
| C09 | C10 | O20 | 106.7° | 109.5° |
| C09 | C10 | H101 | 109.8° | 109.6° |
| C10 | C09 | H092 | 115.9° | 120.2° |
| C11 | C10 | O20 | 105.5° | 109.5° |
| C11 | C10 | H101 | 109.7° | 109.5° |
| C10 | C11 | H112 | 108.3° | 109.5° |
| C10 | C11 | H111 | 108.3° | 109.4° |
| O20 | C10 | H101 | 111.4° | 109.5° |
| C10 | O20 | H201 | 109.5° | 114.0° |
| H132 | C13 | H131 | 109.4° | 109.5° |
| H243 | C24 | H241 | 109.5° | 109.5° |
| H243 | C24 | H242 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H282 | C28 | H281 | 109.5° | 109.4° |
| H042 | C04 | H041 | 109.5° | 109.8° |
| H081 | C08 | H083 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H083 | C08 | H082 | 109.5° | 109.5° |
| H112 | C11 | H111 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H271 | C27 | H273 | 109.4° | 109.4° |
| H272 | C27 | H273 | 109.5° | 109.5° |
| H431 | C43 | H432 | 109.5° | 110.4° |
| H442 | C44 | H441 | 109.5° | 110.1° |
| H452 | C45 | H451 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C37 | C38 | C32 | H381 | 180.0° | 179.9° |
| C38 | C37 | N36 | H371 | 180.0° | 179.9° |
| C37 | C38 | C32 | N31 | 178.0° | 179.7° |
| C37 | C38 | C32 | C33 | 1.6° | 0.0° |
| C38 | C37 | N36 | C34 | 0.2° | 0.1° |
| C32 | C38 | C37 | N36 | 1.0° | 0.1° |
| C38 | C32 | N31 | C33 | 179.5° | 179.7° |
| C38 | C32 | N31 | C30 | 125.5° | 30.3° |
| C38 | C32 | C33 | C34 | 1.0° | 0.0° |
| C38 | C32 | C33 | H331 | 179.0° | 180.0° |
| C32 | C38 | C37 | H371 | 179.0° | 180.0° |
| C38 | C32 | N31 | H311 | 54.5° | 149.6° |
| C27 | C26 | C28 | C25 | 125.5° | 120.0° |
| C27 | C26 | C28 | H261 | 116.3° | 120.0° |
| C27 | C26 | C25 | H261 | 119.5° | 120.0° |
| C27 | C26 | C28 | O29 | 175.1° | 135.3° |
| C27 | C26 | C25 | C23 | 42.0° | 51.3° |
| C27 | C26 | C25 | O40 | 163.9° | 69.8° |
| C27 | C26 | C28 | H282 | 64.4° | 104.7° |
| C27 | C26 | C28 | H281 | 54.5° | 15.3° |
| C27 | C26 | C25 | H251 | 79.1° | 170.7° |
| C26 | C27 | H271 | H272 | 120.0° | 120.0° |
| C26 | C27 | H271 | H273 | 120.0° | 119.9° |
| C26 | C27 | H272 | H273 | 120.0° | 120.0° |
| C37 | N36 | C34 | C33 | 0.9° | 0.1° |
| C37 | N36 | C34 | BR35 | 179.9° | 180.0° |
| N36 | C37 | C38 | H381 | 179.0° | 180.0° |
| C32 | N31 | C30 | H311 | 180.0° | 180.0° |
| C32 | N31 | C30 | O39 | 163.3° | 4.6° |
| C32 | N31 | C30 | O29 | 15.5° | 175.4° |
| N31 | C32 | C33 | C34 | 178.5° | 179.7° |
| N31 | C32 | C33 | H331 | 1.5° | 0.3° |
| N31 | C32 | C38 | H381 | 2.1° | 0.2° |
| C30 | N31 | C32 | C33 | 54.0° | 149.9° |
| N31 | C30 | O39 | O29 | 178.7° | 180.0° |
| N31 | C30 | O29 | C28 | 50.0° | 180.0° |
| C28 | C26 | C25 | H261 | 118.3° | 119.9° |
| C26 | C28 | O29 | H282 | 120.6° | 120.0° |
| C26 | C28 | O29 | H281 | 120.5° | 120.1° |
| C26 | C28 | O29 | C30 | 114.9° | 180.0° |
| C28 | C26 | C25 | C23 | 164.2° | 68.7° |
| C28 | C26 | C25 | O40 | 73.9° | 170.2° |
| C26 | C28 | H282 | H281 | 118.2° | 120.0° |
| C28 | C26 | C25 | H251 | 43.2° | 50.7° |
| C28 | C26 | C27 | H271 | 180.0° | 92.8° |
| C28 | C26 | C27 | H272 | 60.0° | 27.2° |
| C28 | C26 | C27 | H273 | 60.0° | 147.3° |
| C26 | C25 | C23 | C24 | 63.5° | 131.2° |
| C25 | C26 | C28 | O29 | 59.4° | 104.6° |
| C26 | C25 | C23 | O40 | 121.5° | 120.3° |
| C26 | C25 | C23 | H251 | 121.2° | 119.4° |
| C26 | C25 | C23 | C22 | 167.2° | 11.2° |
| C26 | C25 | O40 | H251 | 116.0° | 119.5° |
| C26 | C25 | O40 | C41 | 136.7° | 38.9° |
| C25 | C26 | C28 | H282 | 61.1° | 15.4° |
| C25 | C26 | C28 | H281 | 180.0° | 135.3° |
| C26 | C25 | C23 | H231 | 52.1° | 108.8° |
| C25 | C26 | C27 | H271 | 55.6° | 147.2° |
| C25 | C26 | C27 | H272 | 175.6° | 92.8° |
| C25 | C26 | C27 | H273 | 64.3° | 27.3° |
| C32 | C33 | C34 | N36 | 0.3° | 0.0° |
| C32 | C33 | C34 | H331 | 180.0° | 180.0° |
| C32 | C33 | C34 | BR35 | 179.5° | 180.0° |
| C33 | C32 | C38 | H381 | 178.4° | 179.9° |
| C33 | C32 | N31 | H311 | 126.0° | 30.1° |
| C24 | C23 | C25 | C22 | 129.3° | 120.0° |
| C24 | C23 | C25 | H231 | 115.6° | 120.0° |
| C24 | C23 | C22 | H231 | 116.4° | 120.0° |
| C24 | C23 | C25 | O40 | 58.0° | 108.6° |
| C24 | C23 | C22 | C21 | 7.8° | 99.8° |
| C24 | C23 | C22 | H221 | 172.2° | 83.9° |
| C23 | C24 | H243 | H241 | 120.0° | 120.0° |
| C23 | C24 | H243 | H242 | 120.0° | 120.0° |
| C23 | C24 | H241 | H242 | 120.0° | 120.0° |
| C24 | C23 | C25 | H251 | 175.4° | 11.7° |
| O39 | C30 | O29 | C28 | 131.2° | 0.0° |
| O39 | C30 | N31 | H311 | 16.7° | 175.4° |
| O29 | C28 | C26 | H261 | 58.8° | 15.3° |
| O29 | C28 | H282 | H281 | 118.2° | 119.9° |
| C30 | O29 | C28 | H282 | 124.5° | 59.9° |
| C30 | O29 | C28 | H281 | 5.7° | 60.0° |
| O29 | C30 | N31 | H311 | 164.5° | 4.6° |
| N36 | C34 | C33 | BR35 | 179.2° | 180.0° |
| N36 | C34 | C33 | H331 | 179.7° | 180.0° |
| C34 | N36 | C37 | H371 | 179.7° | 180.0° |
| C25 | C23 | C22 | H231 | 114.9° | 120.0° |
| C23 | C25 | O40 | H251 | 116.2° | 120.3° |
| C23 | C25 | O40 | C41 | 95.5° | 159.2° |
| C25 | C23 | C22 | C21 | 120.9° | 140.1° |
| C25 | C23 | C22 | H221 | 59.1° | 36.1° |
| C25 | C23 | C24 | H243 | 180.0° | 60.0° |
| C25 | C23 | C24 | H241 | 60.0° | 180.0° |
| C25 | C23 | C24 | H242 | 60.0° | 60.0° |
| C23 | C25 | C26 | H261 | 77.4° | 171.3° |
| C22 | C23 | C25 | O40 | 71.3° | 131.5° |
| C23 | C22 | C21 | H221 | 180.0° | 176.2° |
| C23 | C22 | C21 | C02 | 173.0° | 171.4° |
| C23 | C22 | C21 | H211 | 7.0° | 8.5° |
| C22 | C23 | C24 | H243 | 52.0° | 180.0° |
| C22 | C23 | C24 | H241 | 68.0° | 59.9° |
| C22 | C23 | C24 | H242 | 172.0° | 60.0° |
| C22 | C23 | C25 | H251 | 46.1° | 108.2° |
| C25 | O40 | C41 | C42 | 170.6° | 175.4° |
| C25 | O40 | C41 | O49 | 5.6° | 4.5° |
| O40 | C25 | C26 | H261 | 44.4° | 50.2° |
| O40 | C25 | C23 | H231 | 173.6° | 11.5° |
| BR35 | C34 | C33 | H331 | 0.5° | 0.0° |
| O40 | C41 | C42 | O49 | 176.3° | 180.0° |
| O40 | C41 | C42 | C43 | 78.4° | 103.2° |
| O40 | C41 | C42 | N46 | 163.2° | 139.4° |
| C41 | O40 | C25 | H251 | 20.7° | 80.5° |
| O40 | C41 | C42 | H421 | 39.3° | 19.2° |
| C22 | C21 | C02 | H211 | 180.0° | 179.9° |
| C22 | C21 | C02 | N03 | 155.9° | 178.9° |
| C22 | C21 | C02 | O01 | 21.3° | 1.0° |
| C21 | C22 | C23 | H231 | 124.2° | 20.1° |
| C41 | C42 | C43 | N46 | 126.6° | 118.5° |
| C41 | C42 | C43 | H421 | 118.0° | 122.0° |
| C41 | C42 | N46 | H421 | 123.6° | 120.7° |
| C41 | C42 | C43 | C44 | 150.9° | 99.0° |
| C41 | C42 | N46 | C47 | 61.3° | 81.3° |
| C41 | C42 | N46 | C45 | 122.7° | 98.6° |
| C41 | C42 | C43 | H431 | 89.8° | 142.0° |
| C41 | C42 | C43 | H432 | 31.6° | 19.9° |
| O49 | C41 | C42 | C43 | 97.9° | 76.8° |
| O49 | C41 | C42 | N46 | 20.5° | 40.6° |
| O49 | C41 | C42 | H421 | 144.4° | 160.8° |
| C21 | C02 | N03 | O01 | 177.2° | 179.9° |
| C21 | C02 | N03 | C04 | 176.1° | 159.5° |
| C02 | C21 | C22 | H221 | 7.0° | 4.8° |
| C21 | C02 | N03 | H031 | 3.9° | 20.4° |
| C43 | C42 | N46 | H421 | 114.7° | 120.4° |
| C42 | C43 | C44 | H431 | 119.3° | 118.9° |
| C42 | C43 | C44 | H432 | 119.3° | 118.9° |
| C42 | C43 | C44 | C45 | 37.3° | 11.5° |
| C43 | C42 | N46 | C47 | 177.1° | 159.8° |
| C43 | C42 | N46 | C45 | 1.1° | 20.3° |
| C42 | C43 | H431 | H432 | 122.0° | 122.1° |
| C42 | C43 | C44 | H442 | 81.4° | 130.7° |
| C42 | C43 | C44 | H441 | 156.0° | 107.7° |
| N46 | C42 | C43 | C44 | 24.3° | 19.5° |
| C42 | N46 | C47 | O48 | 8.6° | 20.1° |
| C42 | N46 | C45 | C44 | 22.4° | 12.9° |
| C42 | N46 | C47 | C45 | 175.2° | 179.8° |
| C42 | N46 | C47 | C16 | 170.5° | 159.9° |
| N46 | C42 | C43 | H431 | 143.6° | 99.5° |
| N46 | C42 | C43 | H432 | 95.0° | 138.4° |
| C42 | N46 | C45 | H452 | 141.7° | 132.7° |
| C42 | N46 | C45 | H451 | 96.9° | 106.8° |
| C43 | C44 | C45 | H442 | 118.7° | 119.2° |
| C43 | C44 | C45 | H441 | 118.7° | 119.2° |
| C43 | C44 | C45 | N46 | 36.6° | 0.4° |
| C44 | C43 | C42 | H421 | 91.1° | 139.0° |
| C44 | C43 | H431 | H432 | 122.0° | 122.1° |
| C43 | C44 | H442 | H441 | 123.7° | 121.6° |
| C43 | C44 | C45 | H452 | 155.8° | 120.1° |
| C43 | C44 | C45 | H451 | 82.7° | 119.3° |
| O48 | C47 | N46 | C16 | 179.1° | 180.0° |
| O48 | C47 | N46 | C45 | 166.6° | 160.0° |
| O48 | C47 | C16 | C17 | 18.9° | 151.4° |
| O48 | C47 | C16 | N15 | 154.2° | 32.5° |
| C44 | C45 | N46 | C47 | 153.3° | 167.3° |
| C44 | C45 | N46 | H452 | 119.3° | 119.8° |
| C44 | C45 | N46 | H451 | 119.3° | 119.7° |
| C45 | C44 | C43 | H431 | 156.6° | 107.4° |
| C45 | C44 | C43 | H432 | 82.0° | 130.4° |
| C45 | C44 | H442 | H441 | 123.7° | 121.7° |
| C44 | C45 | H452 | H451 | 122.1° | 120.6° |
| N46 | C47 | C16 | C17 | 162.0° | 28.6° |
| N46 | C47 | C16 | N15 | 24.9° | 147.5° |
| C47 | N46 | C42 | H421 | 62.3° | 39.4° |
| C47 | N46 | C45 | H452 | 34.0° | 47.5° |
| C47 | N46 | C45 | H451 | 87.4° | 73.0° |
| C45 | N46 | C47 | C16 | 14.3° | 19.9° |
| C45 | N46 | C42 | H421 | 113.6° | 140.8° |
| N46 | C45 | C44 | H442 | 82.2° | 118.8° |
| N46 | C45 | C44 | H441 | 155.3° | 119.5° |
| N46 | C45 | H452 | H451 | 122.0° | 120.4° |
| C02 | N03 | C04 | H031 | 180.0° | 179.9° |
| C02 | N03 | C04 | C05 | 125.7° | 86.9° |
| N03 | C02 | C21 | H211 | 24.1° | 1.1° |
| C02 | N03 | C04 | H042 | 114.2° | 153.6° |
| C02 | N03 | C04 | H041 | 5.6° | 32.7° |
| O01 | C02 | N03 | C04 | 1.2° | 20.6° |
| O01 | C02 | C21 | H211 | 158.7° | 178.9° |
| O01 | C02 | N03 | H031 | 178.8° | 159.5° |
| C47 | C16 | C17 | N15 | 174.1° | 176.6° |
| C47 | C16 | C17 | O18 | 179.5° | 175.6° |
| C47 | C16 | N15 | C14 | 178.6° | 174.3° |
| C47 | C16 | C17 | H171 | 0.5° | 4.5° |
| N03 | C04 | C05 | H042 | 120.1° | 119.5° |
| N03 | C04 | C05 | H041 | 120.1° | 119.7° |
| N03 | C04 | C05 | C06 | 127.0° | 111.3° |
| N03 | C04 | H042 | H041 | 119.6° | 121.0° |
| N03 | C04 | C05 | H051 | 53.0° | 68.2° |
| C16 | C17 | O18 | H171 | 180.0° | 180.0° |
| C17 | C16 | N15 | C14 | 7.3° | 2.6° |
| C16 | C17 | O18 | C14 | 1.2° | 0.8° |
| N15 | C16 | C17 | O18 | 5.4° | 1.1° |
| C16 | N15 | C14 | O18 | 7.0° | 3.1° |
| C16 | N15 | C14 | C13 | 171.8° | 177.7° |
| N15 | C16 | C17 | H171 | 174.6° | 178.9° |
| C04 | C05 | C06 | H051 | 180.0° | 179.5° |
| C04 | C05 | C06 | C07 | 175.2° | 178.5° |
| C05 | C04 | H042 | H041 | 119.6° | 120.8° |
| C04 | C05 | C06 | H061 | 4.8° | 2.9° |
| C05 | C04 | N03 | H031 | 54.3° | 93.0° |
| C17 | O18 | C14 | N15 | 3.6° | 2.4° |
| C17 | O18 | C14 | C13 | 175.3° | 178.4° |
| C05 | C06 | C07 | C08 | 5.0° | 6.9° |
| C05 | C06 | C07 | H061 | 180.0° | 178.6° |
| C05 | C06 | C07 | C09 | 176.0° | 172.4° |
| C06 | C05 | C04 | H042 | 112.9° | 129.1° |
| C06 | C05 | C04 | H041 | 6.9° | 8.3° |
| N15 | C14 | O18 | C13 | 178.8° | 179.2° |
| N15 | C14 | C13 | C12 | 37.8° | 50.2° |
| N15 | C14 | C13 | H132 | 82.9° | 170.1° |
| N15 | C14 | C13 | H131 | 158.5° | 69.7° |
| C08 | C07 | C06 | C09 | 178.9° | 179.3° |
| C08 | C07 | C09 | C10 | 3.0° | 0.4° |
| C08 | C07 | C06 | H061 | 174.9° | 171.7° |
| C07 | C08 | H081 | H083 | 120.0° | 120.0° |
| C07 | C08 | H081 | H082 | 120.0° | 120.0° |
| C07 | C08 | H083 | H082 | 120.0° | 119.9° |
| C08 | C07 | C09 | H092 | 177.0° | 179.0° |
| O18 | C14 | C13 | C12 | 140.9° | 130.7° |
| O18 | C14 | C13 | H132 | 98.4° | 10.8° |
| O18 | C14 | C13 | H131 | 20.2° | 109.4° |
| C14 | O18 | C17 | H171 | 178.8° | 179.2° |
| C06 | C07 | C09 | C10 | 178.1° | 178.9° |
| C07 | C06 | C05 | H051 | 4.8° | 1.1° |
| C06 | C07 | C08 | H081 | 180.0° | 24.9° |
| C06 | C07 | C08 | H083 | 60.0° | 144.9° |
| C06 | C07 | C08 | H082 | 60.0° | 95.1° |
| C06 | C07 | C09 | H092 | 1.9° | 1.7° |
| C14 | C13 | C12 | O19 | 32.6° | 77.8° |
| C14 | C13 | C12 | H132 | 120.7° | 119.8° |
| C14 | C13 | C12 | H131 | 120.7° | 120.0° |
| C14 | C13 | C12 | C11 | 147.0° | 102.2° |
| C14 | C13 | H132 | H131 | 117.9° | 120.3° |
| C07 | C09 | C10 | H092 | 180.0° | 179.4° |
| C07 | C09 | C10 | C11 | 118.2° | 81.9° |
| C07 | C09 | C10 | O20 | 126.0° | 38.0° |
| C07 | C09 | C10 | H101 | 5.1° | 158.1° |
| C09 | C07 | C06 | H061 | 4.0° | 9.0° |
| C09 | C07 | C08 | H081 | 1.1° | 154.4° |
| C09 | C07 | C08 | H083 | 118.9° | 34.4° |
| C09 | C07 | C08 | H082 | 121.1° | 85.6° |
| O19 | C12 | C13 | C11 | 179.6° | 180.0° |
| O19 | C12 | C11 | C10 | 27.6° | 41.0° |
| O19 | C12 | C13 | H132 | 153.3° | 42.0° |
| O19 | C12 | C13 | H131 | 88.1° | 162.2° |
| O19 | C12 | C11 | H112 | 148.2° | 161.0° |
| O19 | C12 | C11 | H111 | 93.1° | 78.9° |
| C13 | C12 | C11 | C10 | 152.1° | 139.0° |
| C12 | C13 | H132 | H131 | 117.9° | 120.2° |
| C13 | C12 | C11 | H112 | 31.4° | 19.0° |
| C13 | C12 | C11 | H111 | 87.3° | 101.1° |
| C12 | C11 | C10 | C09 | 72.1° | 98.3° |
| C12 | C11 | C10 | H112 | 120.7° | 120.0° |
| C12 | C11 | C10 | H111 | 120.7° | 119.9° |
| C12 | C11 | C10 | O20 | 171.3° | 141.8° |
| C12 | C11 | C10 | H101 | 51.2° | 21.7° |
| C11 | C12 | C13 | H132 | 26.3° | 138.0° |
| C11 | C12 | C13 | H131 | 92.3° | 17.8° |
| C12 | C11 | H112 | H111 | 117.9° | 120.2° |
| C09 | C10 | C11 | O20 | 116.5° | 119.9° |
| C09 | C10 | C11 | H101 | 123.4° | 120.0° |
| C09 | C10 | O20 | H101 | 119.8° | 120.2° |
| C09 | C10 | C11 | H112 | 48.5° | 141.7° |
| C09 | C10 | C11 | H111 | 167.1° | 21.7° |
| C09 | C10 | O20 | H201 | 180.0° | 60.3° |
| C11 | C10 | O20 | H101 | 119.0° | 120.1° |
| C11 | C10 | C09 | H092 | 61.8° | 98.7° |
| C10 | C11 | H112 | H111 | 117.8° | 120.0° |
| C11 | C10 | O20 | H201 | 58.9° | 179.9° |
| O20 | C10 | C09 | H092 | 54.0° | 141.4° |
| O20 | C10 | C11 | H112 | 68.0° | 21.8° |
| O20 | C10 | C11 | H111 | 50.6° | 98.3° |
| H101 | C10 | C09 | H092 | 174.9° | 21.3° |
| H101 | C10 | C11 | H112 | 171.9° | 98.3° |
| H101 | C10 | C11 | H111 | 69.5° | 141.7° |
| H101 | C10 | O20 | H201 | 60.2° | 59.9° |
| H211 | C21 | C22 | H221 | 173.0° | 175.2° |
| H221 | C22 | C23 | H231 | 55.8° | 156.1° |
| H243 | C24 | H241 | H242 | 120.0° | 120.0° |
| H243 | C24 | C23 | H231 | 64.5° | 60.0° |
| H241 | C24 | C23 | H231 | 175.5° | 60.0° |
| H242 | C24 | C23 | H231 | 55.5° | 180.0° |
| H261 | C26 | C28 | H282 | 179.4° | 135.3° |
| H261 | C26 | C28 | H281 | 61.8° | 104.7° |
| H261 | C26 | C25 | H251 | 161.5° | 69.2° |
| H261 | C26 | C27 | H271 | 63.8° | 27.2° |
| H261 | C26 | C27 | H272 | 56.2° | 147.2° |
| H261 | C26 | C27 | H273 | 176.2° | 92.8° |
| H042 | C04 | C05 | H051 | 67.1° | 51.3° |
| H042 | C04 | N03 | H031 | 65.8° | 26.5° |
| H041 | C04 | C05 | H051 | 173.1° | 172.1° |
| H041 | C04 | N03 | H031 | 174.4° | 147.4° |
| H051 | C05 | C06 | H061 | 175.2° | 177.6° |
| H081 | C08 | H083 | H082 | 120.0° | 120.1° |
| H231 | C23 | C25 | H251 | 69.1° | 131.8° |
| H271 | C27 | H272 | H273 | 120.0° | 120.0° |
| H371 | C37 | C38 | H381 | 1.0° | 0.1° |
| H421 | C42 | C43 | H431 | 28.3° | 20.0° |
| H421 | C42 | C43 | H432 | 149.6° | 102.1° |
| H431 | C43 | C44 | H442 | 37.9° | 11.8° |
| H431 | C43 | C44 | H441 | 84.7° | 133.4° |
| H432 | C43 | C44 | H442 | 159.3° | 110.4° |
| H432 | C43 | C44 | H441 | 36.7° | 11.2° |
| H442 | C44 | C45 | H452 | 37.1° | 1.0° |
| H442 | C44 | C45 | H451 | 158.5° | 121.5° |
| H441 | C44 | C45 | H452 | 85.4° | 120.7° |
| H441 | C44 | C45 | H451 | 36.0° | 0.1° |
