9VS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | sing | 1.43Å | 1.41Å | |
| C02 | C03 | sing | 1.53Å | 1.55Å | |
| C02 | C05 | sing | 1.53Å | 1.54Å | |
| C03 | C04 | sing | 1.53Å | 1.51Å | |
| C04 | C07 | sing | 1.53Å | 1.53Å | |
| C05 | C06 | sing | 1.53Å | 1.52Å | |
| C06 | C07 | sing | 1.53Å | 1.55Å | |
| C07 | N08 | sing | 1.46Å | 1.52Å | |
| N08 | C09 | sing | 1.38Å | 1.44Å | |
| C09 | C10 | doub | 1.41Å | 1.49Å | Aromatic |
| C09 | N48 | sing | 1.33Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.48Å | 1.58Å | |
| C10 | C25 | sing | 1.39Å | 1.43Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.43Å | Aromatic |
| C11 | C24 | sing | 1.39Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.42Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C14 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | N16 | sing | 1.47Å | 1.45Å | |
| N16 | C17 | sing | 1.47Å | 1.47Å | |
| N16 | C22 | sing | 1.47Å | 1.45Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C18 | N19 | sing | 1.47Å | 1.48Å | |
| N19 | C20 | sing | 1.47Å | 1.43Å | |
| N19 | C21 | sing | 1.47Å | 1.45Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | N26 | doub | 1.32Å | 1.38Å | Aromatic |
| N26 | C27 | sing | 1.33Å | 1.39Å | Aromatic |
| C27 | N28 | sing | 1.38Å | 1.44Å | |
| C27 | N48 | doub | 1.32Å | 1.39Å | Aromatic |
| C29 | C30 | doub | 1.39Å | 1.36Å | Aromatic |
| C29 | C47 | sing | 1.39Å | 1.41Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.42Å | Aromatic |
| C31 | C32 | doub | 1.40Å | 1.41Å | Aromatic |
| C32 | C33 | sing | 1.43Å | 1.56Å | |
| C32 | C46 | sing | 1.40Å | 1.43Å | Aromatic |
| C33 | C34 | trip | 1.17Å | 1.23Å | |
| C34 | C35 | sing | 1.43Å | 1.50Å | |
| C35 | N36 | doub | 1.33Å | 1.36Å | Aromatic |
| C35 | C45 | sing | 1.40Å | 1.40Å | Aromatic |
| N36 | C37 | sing | 1.32Å | 1.32Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C38 | C39 | sing | 1.39Å | 1.38Å | Aromatic |
| C39 | C40 | sing | 1.51Å | 1.52Å | |
| C39 | C45 | doub | 1.38Å | 1.41Å | Aromatic |
| C40 | O41 | sing | 1.44Å | 1.46Å | |
| C40 | O44 | sing | 1.44Å | 1.42Å | |
| O41 | C42 | sing | 1.44Å | 1.37Å | |
| C42 | C43 | sing | 1.55Å | 1.54Å | |
| C43 | O44 | sing | 1.45Å | 1.39Å | |
| C46 | C47 | doub | 1.38Å | 1.39Å | Aromatic |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| N08 | H081 | sing | 0.97Å | 1.00Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| N28 | H3 | sing | 0.97Å | 1.00Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.08Å | 1.08Å | |
| C46 | H461 | sing | 1.08Å | 1.08Å | |
| C47 | H471 | sing | 1.08Å | 1.08Å | |
| N28 | C29 | sing | 1.40Å | 2.05Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 112.8° | 109.5° |
| O01 | C02 | C05 | 113.4° | 109.5° |
| C02 | O01 | H011 | 109.5° | 114.0° |
| O01 | C02 | H021 | 109.7° | 109.5° |
| C03 | C02 | C05 | 104.8° | 109.5° |
| C02 | C03 | C04 | 115.3° | 109.5° |
| C03 | C02 | H021 | 107.9° | 109.4° |
| C02 | C03 | H031 | 108.0° | 109.5° |
| C02 | C03 | H032 | 108.0° | 109.5° |
| C02 | C05 | C06 | 113.2° | 109.4° |
| C05 | C02 | H021 | 108.0° | 109.5° |
| C02 | C05 | H052 | 108.5° | 109.5° |
| C02 | C05 | H051 | 108.6° | 109.5° |
| C03 | C04 | C07 | 118.7° | 109.5° |
| C04 | C03 | H031 | 108.0° | 109.5° |
| C04 | C03 | H032 | 108.0° | 109.5° |
| C03 | C04 | H042 | 107.1° | 109.5° |
| C03 | C04 | H041 | 107.1° | 109.5° |
| C04 | C07 | C06 | 116.6° | 109.4° |
| C04 | C07 | N08 | 115.5° | 109.5° |
| C07 | C04 | H042 | 107.1° | 109.5° |
| C07 | C04 | H041 | 107.1° | 109.5° |
| C04 | C07 | H071 | 104.0° | 109.4° |
| C05 | C06 | C07 | 117.0° | 109.5° |
| C06 | C05 | H052 | 108.5° | 109.4° |
| C06 | C05 | H051 | 108.5° | 109.4° |
| C05 | C06 | H061 | 107.6° | 109.5° |
| C05 | C06 | H062 | 107.6° | 109.4° |
| C06 | C07 | N08 | 110.9° | 109.5° |
| C07 | C06 | H061 | 107.6° | 109.5° |
| C07 | C06 | H062 | 107.6° | 109.5° |
| C06 | C07 | H071 | 103.8° | 109.5° |
| C07 | N08 | C09 | 127.1° | 120.0° |
| N08 | C07 | H071 | 104.1° | 109.5° |
| C07 | N08 | H081 | 104.9° | 120.0° |
| N08 | C09 | C10 | 126.7° | 120.6° |
| N08 | C09 | N48 | 113.7° | 120.6° |
| C09 | N08 | H081 | 104.9° | 120.0° |
| C10 | C09 | N48 | 119.6° | 118.9° |
| C09 | C10 | C11 | 130.9° | 120.9° |
| C09 | C10 | C25 | 112.4° | 118.2° |
| C09 | N48 | C27 | 121.6° | 120.7° |
| C11 | C10 | C25 | 116.6° | 120.9° |
| C10 | C11 | C12 | 130.7° | 120.1° |
| C10 | C11 | C24 | 117.7° | 120.1° |
| C10 | C25 | N26 | 128.7° | 119.2° |
| C10 | C25 | H251 | 115.6° | 120.4° |
| C12 | C11 | C24 | 111.6° | 119.8° |
| C11 | C12 | C13 | 123.7° | 119.9° |
| C11 | C12 | H121 | 118.2° | 120.1° |
| C11 | C24 | C23 | 125.4° | 119.9° |
| C11 | C24 | H241 | 117.3° | 120.1° |
| C12 | C13 | C14 | 122.1° | 120.1° |
| C13 | C12 | H121 | 118.2° | 120.1° |
| C12 | C13 | H131 | 118.9° | 119.9° |
| C13 | C14 | C15 | 126.2° | 119.9° |
| C13 | C14 | C23 | 116.2° | 120.3° |
| C14 | C13 | H131 | 119.0° | 120.0° |
| C15 | C14 | C23 | 117.6° | 119.9° |
| C14 | C15 | N16 | 108.3° | 109.5° |
| C14 | C15 | H151 | 109.8° | 109.5° |
| C14 | C15 | H152 | 109.8° | 109.4° |
| C14 | C23 | C24 | 121.1° | 120.2° |
| C14 | C23 | H231 | 119.5° | 119.9° |
| C15 | N16 | C17 | 105.9° | 111.0° |
| C15 | N16 | C22 | 115.3° | 110.9° |
| N16 | C15 | H151 | 109.8° | 109.5° |
| N16 | C15 | H152 | 109.8° | 109.5° |
| C17 | N16 | C22 | 108.5° | 110.9° |
| N16 | C17 | C18 | 111.4° | 109.4° |
| N16 | C17 | H171 | 109.0° | 109.5° |
| N16 | C17 | H172 | 109.0° | 109.5° |
| N16 | C22 | C21 | 110.4° | 109.3° |
| N16 | C22 | H221 | 109.2° | 109.5° |
| N16 | C22 | H222 | 109.2° | 109.5° |
| C17 | C18 | N19 | 117.1° | 109.4° |
| C18 | C17 | H171 | 109.0° | 109.5° |
| C18 | C17 | H172 | 109.0° | 109.4° |
| C17 | C18 | H182 | 107.5° | 109.5° |
| C17 | C18 | H181 | 107.5° | 109.5° |
| C18 | N19 | C20 | 107.6° | 111.0° |
| C18 | N19 | C21 | 107.5° | 110.9° |
| N19 | C18 | H182 | 107.5° | 109.5° |
| N19 | C18 | H181 | 107.5° | 109.5° |
| C20 | N19 | C21 | 111.5° | 111.0° |
| N19 | C20 | H201 | 109.5° | 109.4° |
| N19 | C20 | H203 | 109.5° | 109.4° |
| N19 | C20 | H202 | 109.5° | 109.4° |
| N19 | C21 | C22 | 116.9° | 109.4° |
| N19 | C21 | H212 | 107.6° | 109.5° |
| N19 | C21 | H211 | 107.6° | 109.5° |
| C22 | C21 | H212 | 107.6° | 109.5° |
| C22 | C21 | H211 | 107.6° | 109.5° |
| C21 | C22 | H221 | 109.2° | 109.4° |
| C21 | C22 | H222 | 109.3° | 109.5° |
| C24 | C23 | H231 | 119.5° | 119.9° |
| C23 | C24 | H241 | 117.3° | 120.1° |
| C25 | N26 | C27 | 114.9° | 121.0° |
| N26 | C25 | H251 | 115.6° | 120.4° |
| N26 | C27 | N28 | 119.7° | 119.0° |
| N26 | C27 | N48 | 122.8° | 122.0° |
| N28 | C27 | N48 | 117.5° | 119.0° |
| C27 | N28 | H3 | 116.5° | 120.0° |
| C27 | N28 | C29 | 127.0° | 120.0° |
| C30 | C29 | C47 | 125.2° | 120.2° |
| C29 | C30 | C31 | 115.5° | 120.1° |
| C29 | C30 | H301 | 122.2° | 120.0° |
| C30 | C29 | N28 | 121.5° | 119.9° |
| C29 | C47 | C46 | 115.2° | 120.1° |
| C29 | C47 | H471 | 122.4° | 119.9° |
| C47 | C29 | N28 | 113.3° | 119.9° |
| C30 | C31 | C32 | 125.7° | 119.9° |
| C31 | C30 | H301 | 122.3° | 120.0° |
| C30 | C31 | H311 | 117.2° | 120.0° |
| C31 | C32 | C33 | 129.2° | 120.1° |
| C31 | C32 | C46 | 112.7° | 119.9° |
| C32 | C31 | H311 | 117.2° | 120.1° |
| C33 | C32 | C46 | 118.1° | 120.1° |
| C32 | C33 | C34 | 171.6° | 180.0° |
| C32 | C46 | C47 | 125.7° | 119.9° |
| C32 | C46 | H461 | 117.1° | 120.1° |
| C33 | C34 | C35 | 167.6° | 179.9° |
| C34 | C35 | N36 | 122.8° | 119.8° |
| C34 | C35 | C45 | 121.7° | 119.8° |
| N36 | C35 | C45 | 115.5° | 120.5° |
| C35 | N36 | C37 | 119.7° | 121.6° |
| C35 | C45 | C39 | 120.4° | 119.1° |
| C35 | C45 | H451 | 119.8° | 120.5° |
| N36 | C37 | C38 | 131.7° | 121.0° |
| N36 | C37 | H371 | 114.2° | 119.6° |
| C37 | C38 | C39 | 107.1° | 119.4° |
| C38 | C37 | H371 | 114.1° | 119.5° |
| C37 | C38 | H381 | 126.4° | 120.3° |
| C38 | C39 | C40 | 122.6° | 120.7° |
| C38 | C39 | C45 | 125.5° | 118.5° |
| C39 | C38 | H381 | 126.4° | 120.3° |
| C40 | C39 | C45 | 111.9° | 120.8° |
| C39 | C40 | O41 | 109.8° | 110.1° |
| C39 | C40 | O44 | 116.6° | 110.1° |
| C39 | C40 | H401 | 102.5° | 110.1° |
| C39 | C45 | H451 | 119.8° | 120.5° |
| O41 | C40 | O44 | 118.9° | 106.2° |
| C40 | O41 | C42 | 96.9° | 107.1° |
| O41 | C40 | H401 | 103.0° | 110.2° |
| C40 | O44 | C43 | 93.5° | 103.2° |
| O44 | C40 | H401 | 103.4° | 110.1° |
| O41 | C42 | C43 | 102.9° | 105.1° |
| O41 | C42 | H422 | 111.1° | 110.3° |
| O41 | C42 | H421 | 111.1° | 110.4° |
| C42 | C43 | O44 | 104.5° | 102.9° |
| C43 | C42 | H422 | 111.1° | 110.3° |
| C43 | C42 | H421 | 111.1° | 110.3° |
| C42 | C43 | H432 | 110.7° | 110.7° |
| C42 | C43 | H431 | 110.7° | 110.7° |
| O44 | C43 | H432 | 110.7° | 110.8° |
| O44 | C43 | H431 | 110.7° | 110.8° |
| C47 | C46 | H461 | 117.1° | 120.1° |
| C46 | C47 | H471 | 122.4° | 119.9° |
| H031 | C03 | H032 | 109.5° | 109.5° |
| H042 | C04 | H041 | 109.5° | 109.5° |
| H052 | C05 | H051 | 109.4° | 109.5° |
| H061 | C06 | H062 | 109.5° | 109.4° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H201 | C20 | H203 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H203 | C20 | H202 | 109.5° | 109.5° |
| H212 | C21 | H211 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H3 | N28 | C29 | 116.5° | 120.0° |
| H422 | C42 | H421 | 109.4° | 110.3° |
| H432 | C43 | H431 | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | C05 | 123.9° | 120.0° |
| O01 | C02 | C03 | H021 | 121.3° | 120.0° |
| O01 | C02 | C05 | H021 | 121.8° | 120.0° |
| O01 | C02 | C03 | C04 | 178.6° | 180.0° |
| O01 | C02 | C05 | C06 | 172.3° | 180.0° |
| O01 | C02 | C03 | H031 | 60.5° | 60.0° |
| O01 | C02 | C03 | H032 | 57.8° | 60.0° |
| O01 | C02 | C05 | H052 | 51.7° | 60.1° |
| O01 | C02 | C05 | H051 | 67.1° | 60.0° |
| C03 | C02 | C05 | H021 | 114.8° | 120.0° |
| C02 | C03 | C04 | H031 | 120.9° | 120.0° |
| C02 | C03 | C04 | H032 | 120.9° | 120.0° |
| C02 | C03 | C04 | C07 | 20.1° | 60.0° |
| C03 | C02 | C05 | C06 | 64.3° | 60.0° |
| C03 | C02 | O01 | H011 | 180.0° | 180.0° |
| C02 | C03 | H031 | H032 | 117.4° | 120.0° |
| C02 | C03 | C04 | H042 | 141.4° | 180.0° |
| C02 | C03 | C04 | H041 | 101.2° | 60.0° |
| C03 | C02 | C05 | H052 | 175.2° | 179.9° |
| C03 | C02 | C05 | H051 | 56.3° | 60.0° |
| C05 | C02 | C03 | C04 | 57.5° | 60.0° |
| C02 | C05 | C06 | H052 | 120.5° | 120.0° |
| C02 | C05 | C06 | H051 | 120.6° | 120.0° |
| C02 | C05 | C06 | C07 | 33.7° | 60.0° |
| C05 | C02 | O01 | H011 | 61.0° | 60.0° |
| C05 | C02 | C03 | H031 | 63.3° | 60.0° |
| C05 | C02 | C03 | H032 | 178.4° | 180.0° |
| C02 | C05 | H052 | H051 | 118.3° | 120.1° |
| C02 | C05 | C06 | H061 | 87.4° | 60.0° |
| C02 | C05 | C06 | H062 | 154.8° | 180.0° |
| C03 | C04 | C07 | H042 | 121.3° | 120.0° |
| C03 | C04 | C07 | H041 | 121.3° | 120.0° |
| C03 | C04 | C07 | C06 | 13.6° | 60.0° |
| C03 | C04 | C07 | N08 | 146.6° | 60.0° |
| C04 | C03 | C02 | H021 | 57.3° | 60.1° |
| C04 | C03 | H031 | H032 | 117.3° | 120.0° |
| C03 | C04 | H042 | H041 | 115.8° | 120.0° |
| C03 | C04 | C07 | H071 | 100.0° | 180.0° |
| C04 | C07 | C06 | C05 | 6.7° | 60.0° |
| C04 | C07 | C06 | N08 | 135.1° | 120.0° |
| C04 | C07 | C06 | H071 | 113.7° | 120.0° |
| C04 | C07 | N08 | H071 | 113.4° | 119.9° |
| C04 | C07 | N08 | C09 | 115.5° | 154.9° |
| C07 | C04 | C03 | H031 | 100.7° | 60.0° |
| C07 | C04 | C03 | H032 | 141.0° | 180.0° |
| C07 | C04 | H042 | H041 | 115.8° | 120.0° |
| C04 | C07 | C06 | H061 | 127.8° | 60.0° |
| C04 | C07 | C06 | H062 | 114.4° | 180.0° |
| C04 | C07 | N08 | H081 | 122.2° | 25.0° |
| C05 | C06 | C07 | H061 | 121.1° | 120.1° |
| C05 | C06 | C07 | H062 | 121.1° | 120.0° |
| C05 | C06 | C07 | N08 | 141.8° | 59.9° |
| C06 | C05 | C02 | H021 | 50.5° | 60.0° |
| C06 | C05 | H052 | H051 | 118.3° | 120.0° |
| C05 | C06 | H061 | H062 | 116.6° | 119.9° |
| C05 | C06 | C07 | H071 | 107.0° | 180.0° |
| C06 | C07 | N08 | H071 | 111.1° | 120.1° |
| C06 | C07 | N08 | C09 | 109.0° | 85.1° |
| C06 | C07 | C04 | H042 | 107.7° | 180.0° |
| C06 | C07 | C04 | H041 | 134.9° | 60.0° |
| C07 | C06 | C05 | H052 | 154.2° | 180.0° |
| C07 | C06 | C05 | H051 | 86.9° | 59.9° |
| C07 | C06 | H061 | H062 | 116.6° | 120.0° |
| C06 | C07 | N08 | H081 | 13.4° | 95.0° |
| C07 | N08 | C09 | H081 | 122.3° | 179.9° |
| C07 | N08 | C09 | C10 | 177.2° | 180.0° |
| C07 | N08 | C09 | N48 | 0.9° | 0.2° |
| N08 | C07 | C04 | H042 | 25.3° | 60.0° |
| N08 | C07 | C04 | H041 | 92.1° | 180.0° |
| N08 | C07 | C06 | H061 | 97.2° | 180.0° |
| N08 | C07 | C06 | H062 | 20.7° | 60.0° |
| N08 | C09 | C10 | N48 | 178.0° | 179.8° |
| N08 | C09 | C10 | C11 | 4.3° | 0.1° |
| N08 | C09 | C10 | C25 | 180.0° | 180.0° |
| N08 | C09 | N48 | C27 | 179.6° | 179.7° |
| C09 | N08 | C07 | H071 | 2.1° | 35.0° |
| C09 | C10 | C11 | C25 | 175.6° | 179.9° |
| C09 | C10 | C11 | C12 | 60.3° | 130.0° |
| C09 | C10 | C11 | C24 | 122.5° | 50.4° |
| C09 | C10 | C25 | N26 | 1.4° | 0.0° |
| C10 | C09 | N48 | C27 | 2.1° | 0.4° |
| C10 | C09 | N08 | H081 | 60.5° | 0.1° |
| C09 | C10 | C25 | H251 | 178.6° | 180.0° |
| N48 | C09 | C10 | C11 | 177.8° | 179.7° |
| N48 | C09 | C10 | C25 | 2.0° | 0.2° |
| C09 | N48 | C27 | N26 | 1.3° | 0.5° |
| C09 | N48 | C27 | N28 | 179.6° | 179.7° |
| N48 | C09 | N08 | H081 | 121.4° | 179.8° |
| C10 | C11 | C12 | C24 | 177.3° | 179.7° |
| C10 | C11 | C12 | C13 | 179.1° | 180.0° |
| C10 | C11 | C24 | C23 | 179.4° | 179.7° |
| C11 | C10 | C25 | N26 | 177.8° | 180.0° |
| C10 | C11 | C12 | H121 | 1.0° | 0.1° |
| C10 | C11 | C24 | H241 | 0.6° | 0.1° |
| C11 | C10 | C25 | H251 | 2.2° | 0.0° |
| C25 | C10 | C11 | C12 | 124.1° | 49.9° |
| C25 | C10 | C11 | C24 | 53.1° | 129.7° |
| C10 | C25 | N26 | H251 | 180.0° | 180.0° |
| C10 | C25 | N26 | C27 | 0.7° | 0.0° |
| C11 | C12 | C13 | H121 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 1.1° | 0.0° |
| C12 | C11 | C24 | C23 | 1.7° | 0.6° |
| C11 | C12 | C13 | H131 | 178.9° | 180.0° |
| C12 | C11 | C24 | H241 | 178.3° | 179.7° |
| C24 | C11 | C12 | C13 | 1.7° | 0.4° |
| C11 | C24 | C23 | C14 | 1.0° | 0.6° |
| C11 | C24 | C23 | H241 | 180.0° | 179.6° |
| C24 | C11 | C12 | H121 | 178.3° | 179.7° |
| C11 | C24 | C23 | H231 | 179.0° | 179.6° |
| C12 | C13 | C14 | H131 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 179.8° | 179.9° |
| C12 | C13 | C14 | C23 | 0.2° | 0.0° |
| C13 | C14 | C15 | C23 | 180.0° | 179.9° |
| C13 | C14 | C15 | N16 | 151.4° | 90.0° |
| C13 | C14 | C23 | C24 | 0.1° | 0.3° |
| C14 | C13 | C12 | H121 | 178.9° | 180.0° |
| C13 | C14 | C15 | H151 | 31.6° | 150.0° |
| C13 | C14 | C15 | H152 | 88.8° | 30.0° |
| C13 | C14 | C23 | H231 | 179.8° | 180.0° |
| C14 | C15 | N16 | H151 | 119.8° | 120.0° |
| C14 | C15 | N16 | H152 | 119.8° | 119.9° |
| C14 | C15 | N16 | C17 | 110.1° | 170.0° |
| C14 | C15 | N16 | C22 | 129.9° | 66.2° |
| C15 | C14 | C23 | C24 | 179.9° | 179.7° |
| C15 | C14 | C13 | H131 | 0.2° | 0.0° |
| C14 | C15 | H151 | H152 | 120.6° | 119.9° |
| C15 | C14 | C23 | H231 | 0.1° | 0.1° |
| C23 | C14 | C15 | N16 | 28.6° | 90.0° |
| C14 | C23 | C24 | H231 | 180.0° | 179.8° |
| C23 | C14 | C13 | H131 | 179.8° | 180.0° |
| C23 | C14 | C15 | H151 | 148.4° | 30.1° |
| C23 | C14 | C15 | H152 | 91.2° | 150.0° |
| C14 | C23 | C24 | H241 | 179.0° | 179.8° |
| C15 | N16 | C17 | C22 | 124.4° | 123.8° |
| C15 | N16 | C17 | C18 | 165.6° | 176.8° |
| C15 | N16 | C22 | C21 | 175.1° | 176.8° |
| N16 | C15 | H151 | H152 | 120.5° | 120.0° |
| C15 | N16 | C17 | H171 | 45.3° | 63.2° |
| C15 | N16 | C17 | H172 | 74.1° | 56.9° |
| C15 | N16 | C22 | H221 | 55.0° | 56.9° |
| C15 | N16 | C22 | H222 | 64.7° | 63.2° |
| N16 | C17 | C18 | H171 | 120.3° | 120.0° |
| N16 | C17 | C18 | H172 | 120.3° | 120.0° |
| N16 | C17 | C18 | N19 | 19.3° | 58.4° |
| C17 | N16 | C22 | C21 | 66.3° | 59.4° |
| C17 | N16 | C15 | H151 | 130.1° | 69.9° |
| C17 | N16 | C15 | H152 | 9.8° | 50.1° |
| N16 | C17 | H171 | H172 | 119.1° | 120.1° |
| N16 | C17 | C18 | H182 | 101.8° | 178.4° |
| N16 | C17 | C18 | H181 | 140.4° | 61.5° |
| C17 | N16 | C22 | H221 | 173.5° | 179.3° |
| C17 | N16 | C22 | H222 | 53.8° | 60.6° |
| C22 | N16 | C17 | C18 | 41.2° | 59.4° |
| N16 | C22 | C21 | N19 | 29.4° | 58.4° |
| N16 | C22 | C21 | H221 | 120.1° | 119.9° |
| N16 | C22 | C21 | H222 | 120.1° | 120.0° |
| C22 | N16 | C15 | H151 | 10.1° | 53.8° |
| C22 | N16 | C15 | H152 | 110.3° | 173.8° |
| C22 | N16 | C17 | H171 | 79.1° | 60.6° |
| C22 | N16 | C17 | H172 | 161.5° | 179.3° |
| N16 | C22 | C21 | H212 | 150.5° | 178.4° |
| N16 | C22 | C21 | H211 | 91.7° | 61.6° |
| N16 | C22 | H221 | H222 | 119.5° | 120.1° |
| C17 | C18 | N19 | H182 | 121.1° | 120.0° |
| C17 | C18 | N19 | H181 | 121.1° | 119.9° |
| C17 | C18 | N19 | C20 | 174.6° | 64.6° |
| C17 | C18 | N19 | C21 | 54.4° | 59.3° |
| C18 | C17 | H171 | H172 | 119.1° | 120.0° |
| C17 | C18 | H182 | H181 | 116.5° | 120.0° |
| C18 | N19 | C20 | C21 | 117.6° | 123.8° |
| C18 | N19 | C21 | C22 | 28.4° | 59.3° |
| N19 | C18 | C17 | H171 | 139.6° | 61.6° |
| N19 | C18 | C17 | H172 | 101.0° | 178.4° |
| N19 | C18 | H182 | H181 | 116.5° | 120.1° |
| C18 | N19 | C20 | H201 | 180.0° | 60.0° |
| C18 | N19 | C20 | H203 | 60.0° | 180.0° |
| C18 | N19 | C20 | H202 | 60.0° | 60.0° |
| C18 | N19 | C21 | H212 | 92.7° | 179.3° |
| C18 | N19 | C21 | H211 | 149.5° | 60.7° |
| C20 | N19 | C21 | C22 | 146.1° | 64.5° |
| C20 | N19 | C18 | H182 | 53.5° | 55.4° |
| C20 | N19 | C18 | H181 | 64.3° | 175.5° |
| N19 | C20 | H201 | H203 | 120.0° | 120.0° |
| N19 | C20 | H201 | H202 | 120.0° | 120.0° |
| N19 | C20 | H203 | H202 | 120.0° | 120.0° |
| C20 | N19 | C21 | H212 | 25.0° | 55.4° |
| C20 | N19 | C21 | H211 | 92.8° | 175.5° |
| N19 | C21 | C22 | H212 | 121.1° | 120.0° |
| N19 | C21 | C22 | H211 | 121.1° | 120.0° |
| C21 | N19 | C18 | H182 | 66.7° | 179.3° |
| C21 | N19 | C18 | H181 | 175.5° | 60.6° |
| C21 | N19 | C20 | H201 | 62.4° | 176.2° |
| C21 | N19 | C20 | H203 | 57.6° | 56.2° |
| C21 | N19 | C20 | H202 | 177.6° | 63.8° |
| N19 | C21 | H212 | H211 | 116.6° | 120.1° |
| N19 | C21 | C22 | H221 | 149.5° | 178.3° |
| N19 | C21 | C22 | H222 | 90.7° | 61.6° |
| C22 | C21 | H212 | H211 | 116.6° | 120.1° |
| C21 | C22 | H221 | H222 | 119.6° | 120.1° |
| C25 | N26 | C27 | N28 | 178.8° | 180.0° |
| C25 | N26 | C27 | N48 | 0.5° | 0.2° |
| N26 | C27 | N28 | N48 | 178.3° | 179.8° |
| C27 | N26 | C25 | H251 | 179.3° | 180.0° |
| N26 | C27 | N28 | H3 | 19.2° | 174.5° |
| N26 | C27 | N28 | C29 | 160.7° | 5.5° |
| C27 | N28 | C29 | C30 | 23.4° | 146.2° |
| C27 | N28 | C29 | C47 | 158.4° | 34.1° |
| C27 | N28 | H3 | C29 | 180.0° | 179.9° |
| N48 | C27 | N28 | H3 | 159.1° | 5.3° |
| N48 | C27 | N28 | C29 | 20.9° | 174.7° |
| C30 | C29 | C47 | N28 | 178.2° | 179.7° |
| C29 | C30 | C31 | H301 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.1° | 0.1° |
| C30 | C29 | C47 | C46 | 0.9° | 0.6° |
| C30 | C29 | N28 | H3 | 156.7° | 33.8° |
| C29 | C30 | C31 | H311 | 179.9° | 179.9° |
| C30 | C29 | C47 | H471 | 179.1° | 179.7° |
| C47 | C29 | C30 | C31 | 1.0° | 0.3° |
| C29 | C47 | C46 | C32 | 0.1° | 0.5° |
| C29 | C47 | C46 | H471 | 180.0° | 179.7° |
| C47 | C29 | N28 | H3 | 21.6° | 145.9° |
| C47 | C29 | C30 | H301 | 179.0° | 179.7° |
| C29 | C47 | C46 | H461 | 179.9° | 179.7° |
| C30 | C31 | C32 | H311 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 179.7° | 179.9° |
| C30 | C31 | C32 | C46 | 0.7° | 0.0° |
| C31 | C30 | C29 | N28 | 179.1° | 180.0° |
| C31 | C32 | C33 | C46 | 179.6° | 180.0° |
| C31 | C32 | C33 | C34 | 165.3° | 141.3° |
| C31 | C32 | C46 | C47 | 0.8° | 0.3° |
| C32 | C31 | C30 | H301 | 179.8° | 180.0° |
| C31 | C32 | C46 | H461 | 179.1° | 180.0° |
| C32 | C33 | C34 | C35 | 64.5° | 29.6° |
| C33 | C32 | C46 | C47 | 179.5° | 179.7° |
| C33 | C32 | C31 | H311 | 0.3° | 0.1° |
| C33 | C32 | C46 | H461 | 0.5° | 0.0° |
| C46 | C32 | C33 | C34 | 14.3° | 38.8° |
| C32 | C46 | C47 | H461 | 180.0° | 179.7° |
| C46 | C32 | C31 | H311 | 179.3° | 180.0° |
| C32 | C46 | C47 | H471 | 179.9° | 179.7° |
| C33 | C34 | C35 | N36 | 175.0° | 68.4° |
| C33 | C34 | C35 | C45 | 4.7° | 111.4° |
| C34 | C35 | N36 | C45 | 179.8° | 179.8° |
| C34 | C35 | N36 | C37 | 179.7° | 179.9° |
| C34 | C35 | C45 | C39 | 179.5° | 179.6° |
| C34 | C35 | C45 | H451 | 0.5° | 0.0° |
| C35 | N36 | C37 | C38 | 0.3° | 0.0° |
| N36 | C35 | C45 | C39 | 0.7° | 0.6° |
| C35 | N36 | C37 | H371 | 179.7° | 179.9° |
| N36 | C35 | C45 | H451 | 179.2° | 179.8° |
| C45 | C35 | N36 | C37 | 0.6° | 0.3° |
| C35 | C45 | C39 | C38 | 0.7° | 0.6° |
| C35 | C45 | C39 | C40 | 180.0° | 179.8° |
| C35 | C45 | C39 | H451 | 180.0° | 179.7° |
| N36 | C37 | C38 | H371 | 180.0° | 180.0° |
| N36 | C37 | C38 | C39 | 0.2° | 0.0° |
| N36 | C37 | C38 | H381 | 179.8° | 180.0° |
| C37 | C38 | C39 | H381 | 180.0° | 180.0° |
| C37 | C38 | C39 | C40 | 179.6° | 180.0° |
| C37 | C38 | C39 | C45 | 0.4° | 0.3° |
| C38 | C39 | C40 | C45 | 179.3° | 179.7° |
| C38 | C39 | C40 | O41 | 9.4° | 0.0° |
| C38 | C39 | C40 | O44 | 129.6° | 116.8° |
| C39 | C38 | C37 | H371 | 179.8° | 180.0° |
| C38 | C39 | C40 | H401 | 118.3° | 121.7° |
| C38 | C39 | C45 | H451 | 179.3° | 179.8° |
| C39 | C40 | O41 | O44 | 137.9° | 119.1° |
| C39 | C40 | O41 | H401 | 108.6° | 121.6° |
| C39 | C40 | O44 | H401 | 111.5° | 121.5° |
| C39 | C40 | O41 | C42 | 146.1° | 144.3° |
| C39 | C40 | O44 | C43 | 113.1° | 158.4° |
| C40 | C39 | C38 | H381 | 0.4° | 0.0° |
| C40 | C39 | C45 | H451 | 0.0° | 0.1° |
| C45 | C39 | C40 | O41 | 170.0° | 179.7° |
| C45 | C39 | C40 | O44 | 51.0° | 63.6° |
| C45 | C39 | C38 | H381 | 179.6° | 179.7° |
| C45 | C39 | C40 | H401 | 61.0° | 58.0° |
| O41 | C40 | O44 | H401 | 113.3° | 119.3° |
| C40 | O41 | C42 | C43 | 31.9° | 1.8° |
| O41 | C40 | O44 | C43 | 22.0° | 39.2° |
| C40 | O41 | C42 | H422 | 150.8° | 120.6° |
| C40 | O41 | C42 | H421 | 87.1° | 117.1° |
| O44 | C40 | O41 | C42 | 8.2° | 25.1° |
| C40 | O44 | C43 | C42 | 39.8° | 36.6° |
| C40 | O44 | C43 | H432 | 79.4° | 155.0° |
| C40 | O44 | C43 | H431 | 159.1° | 81.7° |
| O41 | C42 | C43 | H422 | 119.0° | 118.9° |
| O41 | C42 | C43 | H421 | 118.9° | 118.9° |
| O41 | C42 | C43 | O44 | 51.3° | 21.8° |
| C42 | O41 | C40 | H401 | 105.3° | 94.1° |
| O41 | C42 | H422 | H421 | 123.0° | 122.2° |
| O41 | C42 | C43 | H432 | 67.8° | 140.2° |
| O41 | C42 | C43 | H431 | 170.6° | 96.6° |
| C42 | C43 | O44 | H432 | 119.2° | 118.4° |
| C42 | C43 | O44 | H431 | 119.2° | 118.3° |
| C43 | C42 | H422 | H421 | 123.0° | 122.1° |
| C42 | C43 | H432 | H431 | 122.3° | 123.2° |
| C43 | O44 | C40 | H401 | 135.3° | 80.0° |
| O44 | C43 | C42 | H422 | 170.3° | 97.2° |
| O44 | C43 | C42 | H421 | 67.6° | 140.7° |
| O44 | C43 | H432 | H431 | 122.3° | 123.3° |
| C46 | C47 | C29 | N28 | 179.1° | 179.7° |
| H011 | O01 | C02 | H021 | 59.8° | 60.1° |
| H021 | C02 | C03 | H031 | 178.2° | 179.9° |
| H021 | C02 | C03 | H032 | 63.5° | 60.0° |
| H021 | C02 | C05 | H052 | 70.0° | 60.0° |
| H021 | C02 | C05 | H051 | 171.1° | 180.0° |
| H031 | C03 | C04 | H042 | 20.6° | 60.0° |
| H031 | C03 | C04 | H041 | 137.9° | 180.0° |
| H032 | C03 | C04 | H042 | 97.7° | 60.0° |
| H032 | C03 | C04 | H041 | 19.7° | 60.0° |
| H042 | C04 | C07 | H071 | 138.7° | 59.9° |
| H041 | C04 | C07 | H071 | 21.4° | 60.0° |
| H052 | C05 | C06 | H061 | 33.2° | 60.0° |
| H052 | C05 | C06 | H062 | 84.7° | 60.0° |
| H051 | C05 | C06 | H061 | 152.0° | 180.0° |
| H051 | C05 | C06 | H062 | 34.2° | 60.0° |
| H061 | C06 | C07 | H071 | 14.1° | 59.9° |
| H062 | C06 | C07 | H071 | 132.0° | 60.1° |
| H071 | C07 | N08 | H081 | 124.4° | 144.9° |
| H121 | C12 | C13 | H131 | 1.1° | 0.1° |
| H171 | C17 | C18 | H182 | 18.5° | 58.4° |
| H171 | C17 | C18 | H181 | 99.4° | 178.4° |
| H172 | C17 | C18 | H182 | 137.9° | 61.6° |
| H172 | C17 | C18 | H181 | 20.1° | 58.5° |
| H201 | C20 | H203 | H202 | 120.0° | 120.1° |
| H212 | C21 | C22 | H221 | 89.4° | 61.7° |
| H212 | C21 | C22 | H222 | 30.3° | 58.4° |
| H211 | C21 | C22 | H221 | 28.5° | 58.3° |
| H211 | C21 | C22 | H222 | 148.2° | 178.5° |
| H231 | C23 | C24 | H241 | 1.0° | 0.0° |
| H301 | C30 | C31 | H311 | 0.2° | 0.0° |
| H301 | C30 | C29 | N28 | 0.9° | 0.0° |
| H371 | C37 | C38 | H381 | 0.2° | 0.0° |
| H422 | C42 | C43 | H432 | 51.1° | 21.2° |
| H422 | C42 | C43 | H431 | 70.5° | 144.5° |
| H421 | C42 | C43 | H432 | 173.2° | 100.9° |
| H421 | C42 | C43 | H431 | 51.6° | 22.4° |
| H461 | C46 | C47 | H471 | 0.1° | 0.0° |
| H471 | C47 | C29 | N28 | 0.9° | 0.0° |
