624
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CX | CY | sing | 1.51Å | 1.52Å | |
| CX | CZ | sing | 1.46Å | 1.56Å | |
| CX | OX | doub | 1.21Å | 1.47Å | |
| CY | N02 | sing | 1.46Å | 1.47Å | |
| CY | C06 | sing | 1.53Å | 1.56Å | |
| CY | HY | sing | 1.09Å | 1.10Å | |
| CZ | N45 | doub | 1.33Å | 1.30Å | Aromatic |
| CZ | S48 | sing | 1.79Å | 1.70Å | Aromatic |
| N02 | C18 | sing | 1.35Å | 1.31Å | |
| N02 | H02 | sing | 0.97Å | 1.00Å | |
| C06 | C07 | sing | 1.53Å | 1.52Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C07 | C08 | sing | 1.53Å | 1.51Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C08 | N09 | sing | 1.46Å | 1.46Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| N09 | C10 | sing | 1.37Å | 1.35Å | |
| N09 | H09 | sing | 0.97Å | 1.00Å | |
| C10 | N11 | sing | 1.38Å | 1.35Å | |
| C10 | NP2 | doub | 1.30Å | 1.34Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å | |
| N11 | H112 | sing | 0.97Å | 1.00Å | |
| NP2 | HP2 | sing | 0.97Å | 1.00Å | |
| C18 | O19 | doub | 1.21Å | 1.23Å | |
| C18 | C20 | sing | 1.51Å | 1.51Å | |
| C20 | N21 | sing | 1.47Å | 1.49Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| N21 | C22 | sing | 1.35Å | 1.40Å | |
| N21 | C26 | sing | 1.37Å | 1.40Å | |
| C22 | C23 | sing | 1.42Å | 1.42Å | |
| C22 | O27 | doub | 1.22Å | 1.26Å | |
| C23 | C24 | doub | 1.37Å | 1.42Å | |
| C23 | N28 | sing | 1.40Å | 1.43Å | |
| C24 | N25 | sing | 1.33Å | 1.37Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| N25 | C26 | doub | 1.32Å | 1.37Å | |
| C26 | C33 | sing | 1.48Å | 1.47Å | |
| N28 | C30 | sing | 1.47Å | 1.47Å | |
| N28 | H28 | sing | 0.97Å | 1.00Å | |
| C30 | C31 | sing | 1.53Å | 1.55Å | |
| C30 | C32 | sing | 1.53Å | 1.52Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | doub | 1.40Å | 1.45Å | Aromatic |
| C33 | C38 | sing | 1.40Å | 1.44Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.42Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | C36 | doub | 1.39Å | 1.43Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | C37 | sing | 1.39Å | 1.47Å | Aromatic |
| C36 | CL1 | sing | 1.74Å | 1.71Å | |
| C37 | C38 | doub | 1.38Å | 1.46Å | Aromatic |
| C37 | CL2 | sing | 1.74Å | 1.72Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| N45 | C46 | sing | 1.30Å | 1.39Å | Aromatic |
| C46 | C47 | doub | 1.37Å | 1.39Å | Aromatic |
| C46 | H46 | sing | 1.08Å | 1.08Å | |
| C47 | S48 | sing | 1.74Å | 1.68Å | Aromatic |
| C47 | H47 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CY | CX | CZ | 114.4° | 120.0° |
| CY | CX | OX | 104.5° | 120.0° |
| CX | CY | N02 | 103.6° | 109.5° |
| CX | CY | C06 | 111.6° | 109.5° |
| CX | CY | HY | 111.7° | 109.4° |
| CZ | CX | OX | 110.4° | 120.0° |
| CX | CZ | N45 | 123.4° | 129.3° |
| CX | CZ | S48 | 119.3° | 129.3° |
| N02 | CY | C06 | 108.9° | 109.5° |
| N02 | CY | HY | 114.3° | 109.4° |
| CY | N02 | C18 | 129.7° | 120.1° |
| CY | N02 | H02 | 115.1° | 120.0° |
| C06 | CY | HY | 106.7° | 109.4° |
| CY | C06 | C07 | 111.2° | 109.5° |
| CY | C06 | H061 | 108.5° | 109.4° |
| CY | C06 | H062 | 108.9° | 109.5° |
| N45 | CZ | S48 | 117.3° | 101.4° |
| CZ | N45 | C46 | 109.4° | 120.0° |
| CZ | S48 | C47 | 88.7° | 97.4° |
| C18 | N02 | H02 | 115.2° | 120.0° |
| N02 | C18 | O19 | 124.7° | 120.0° |
| N02 | C18 | C20 | 111.9° | 120.0° |
| C07 | C06 | H061 | 108.5° | 109.5° |
| C07 | C06 | H062 | 108.9° | 109.5° |
| C06 | C07 | C08 | 113.4° | 109.5° |
| C06 | C07 | H071 | 107.3° | 109.5° |
| C06 | C07 | H072 | 108.2° | 109.5° |
| H061 | C06 | H062 | 110.8° | 109.5° |
| C08 | C07 | H071 | 107.3° | 109.4° |
| C08 | C07 | H072 | 108.2° | 109.5° |
| C07 | C08 | N09 | 105.1° | 109.5° |
| C07 | C08 | H081 | 111.9° | 109.4° |
| C07 | C08 | H082 | 111.0° | 109.5° |
| H071 | C07 | H072 | 112.6° | 109.5° |
| N09 | C08 | H081 | 111.9° | 109.5° |
| N09 | C08 | H082 | 111.0° | 109.5° |
| C08 | N09 | C10 | 129.8° | 120.0° |
| C08 | N09 | H09 | 115.1° | 120.0° |
| H081 | C08 | H082 | 106.1° | 109.5° |
| C10 | N09 | H09 | 115.1° | 120.0° |
| N09 | C10 | N11 | 122.8° | 120.0° |
| N09 | C10 | NP2 | 117.3° | 120.0° |
| N11 | C10 | NP2 | 119.9° | 120.0° |
| C10 | N11 | H111 | 124.7° | 120.0° |
| C10 | N11 | H112 | 110.7° | 120.0° |
| C10 | NP2 | HP2 | 110.7° | 120.0° |
| H111 | N11 | H112 | 124.7° | 120.0° |
| O19 | C18 | C20 | 123.4° | 120.0° |
| C18 | C20 | N21 | 111.8° | 109.5° |
| C18 | C20 | H201 | 108.2° | 109.5° |
| C18 | C20 | H202 | 108.7° | 109.5° |
| N21 | C20 | H201 | 108.2° | 109.4° |
| N21 | C20 | H202 | 108.7° | 109.5° |
| C20 | N21 | C22 | 117.4° | 120.2° |
| C20 | N21 | C26 | 126.6° | 120.1° |
| H201 | C20 | H202 | 111.3° | 109.5° |
| C22 | N21 | C26 | 115.9° | 119.7° |
| N21 | C22 | C23 | 124.3° | 118.6° |
| N21 | C22 | O27 | 120.9° | 120.7° |
| N21 | C26 | N25 | 123.1° | 121.3° |
| N21 | C26 | C33 | 125.0° | 119.4° |
| C23 | C22 | O27 | 114.8° | 120.7° |
| C22 | C23 | C24 | 114.6° | 118.8° |
| C22 | C23 | N28 | 118.6° | 120.6° |
| C24 | C23 | N28 | 126.7° | 120.6° |
| C23 | C24 | N25 | 122.8° | 120.1° |
| C23 | C24 | H24 | 118.6° | 120.0° |
| C23 | N28 | C30 | 127.0° | 120.0° |
| C23 | N28 | H28 | 104.0° | 120.0° |
| N25 | C24 | H24 | 118.6° | 119.9° |
| C24 | N25 | C26 | 119.1° | 121.5° |
| N25 | C26 | C33 | 111.9° | 119.4° |
| C26 | C33 | C34 | 116.0° | 120.1° |
| C26 | C33 | C38 | 124.8° | 120.1° |
| C30 | N28 | H28 | 104.0° | 120.0° |
| N28 | C30 | C31 | 110.5° | 109.5° |
| N28 | C30 | C32 | 107.9° | 109.4° |
| N28 | C30 | H30 | 110.3° | 109.5° |
| C31 | C30 | C32 | 110.9° | 109.5° |
| C31 | C30 | H30 | 107.3° | 109.5° |
| C30 | C31 | H311 | 109.4° | 109.5° |
| C30 | C31 | H312 | 109.5° | 109.4° |
| C30 | C31 | H313 | 109.5° | 109.5° |
| C32 | C30 | H30 | 110.0° | 109.4° |
| C30 | C32 | H321 | 109.4° | 109.5° |
| C30 | C32 | H322 | 109.5° | 109.5° |
| C30 | C32 | H323 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H311 | C31 | H313 | 109.5° | 109.5° |
| H312 | C31 | H313 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H321 | C32 | H323 | 109.5° | 109.5° |
| H322 | C32 | H323 | 109.4° | 109.4° |
| C34 | C33 | C38 | 119.2° | 119.8° |
| C33 | C34 | C35 | 120.6° | 119.9° |
| C33 | C34 | H34 | 119.7° | 120.1° |
| C33 | C38 | C37 | 120.7° | 119.8° |
| C33 | C38 | H38 | 119.6° | 120.1° |
| C35 | C34 | H34 | 119.7° | 120.1° |
| C34 | C35 | C36 | 121.4° | 120.2° |
| C34 | C35 | H35 | 119.3° | 119.9° |
| C36 | C35 | H35 | 119.3° | 119.9° |
| C35 | C36 | C37 | 119.3° | 120.2° |
| C35 | C36 | CL1 | 115.3° | 119.9° |
| C37 | C36 | CL1 | 125.4° | 119.9° |
| C36 | C37 | C38 | 118.8° | 120.1° |
| C36 | C37 | CL2 | 122.8° | 119.9° |
| C38 | C37 | CL2 | 118.4° | 120.0° |
| C37 | C38 | H38 | 119.7° | 120.1° |
| N45 | C46 | C47 | 112.8° | 119.8° |
| N45 | C46 | H46 | 123.7° | 120.1° |
| C47 | C46 | H46 | 123.6° | 120.0° |
| C46 | C47 | S48 | 111.9° | 101.4° |
| C46 | C47 | H47 | 124.1° | 129.3° |
| S48 | C47 | H47 | 124.0° | 129.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CY | CX | CZ | OX | 117.5° | 180.0° |
| CX | CY | N02 | C06 | 118.9° | 120.1° |
| CX | CY | N02 | HY | 121.8° | 120.0° |
| CX | CY | C06 | HY | 122.3° | 120.0° |
| CY | CX | CZ | N45 | 80.1° | 0.3° |
| CY | CX | CZ | S48 | 100.8° | 180.0° |
| CX | CY | N02 | C18 | 133.4° | 85.0° |
| CX | CY | N02 | H02 | 46.6° | 94.9° |
| CX | CY | C06 | C07 | 178.2° | 175.0° |
| CX | CY | C06 | H061 | 58.9° | 65.0° |
| CX | CY | C06 | H062 | 61.8° | 55.0° |
| CZ | CX | CY | N02 | 63.0° | 165.0° |
| CZ | CX | CY | C06 | 179.9° | 75.0° |
| CZ | CX | CY | HY | 60.5° | 45.0° |
| CX | CZ | N45 | S48 | 179.1° | 179.8° |
| CX | CZ | N45 | C46 | 179.2° | 179.7° |
| CX | CZ | S48 | C47 | 179.3° | 180.0° |
| OX | CX | CY | N02 | 176.1° | 15.0° |
| OX | CX | CY | C06 | 59.1° | 105.0° |
| OX | CX | CY | HY | 60.3° | 135.0° |
| OX | CX | CZ | N45 | 162.5° | 179.7° |
| OX | CX | CZ | S48 | 16.6° | 0.0° |
| N02 | CY | C06 | HY | 123.9° | 120.0° |
| CY | N02 | C18 | H02 | 180.0° | 179.9° |
| N02 | CY | C06 | C07 | 68.0° | 64.9° |
| N02 | CY | C06 | H061 | 172.7° | 55.1° |
| N02 | CY | C06 | H062 | 52.0° | 175.0° |
| CY | N02 | C18 | O19 | 0.7° | 0.0° |
| CY | N02 | C18 | C20 | 177.7° | 180.0° |
| C06 | CY | N02 | C18 | 107.6° | 155.0° |
| C06 | CY | N02 | H02 | 72.4° | 25.1° |
| CY | C06 | C07 | H061 | 119.3° | 120.0° |
| CY | C06 | C07 | H062 | 120.0° | 120.0° |
| CY | C06 | H061 | H062 | 119.5° | 119.9° |
| CY | C06 | C07 | C08 | 147.2° | NaN° |
| CY | C06 | C07 | H071 | 28.9° | 60.0° |
| CY | C06 | C07 | H072 | 92.8° | 60.0° |
| HY | CY | N02 | C18 | 11.6° | 35.0° |
| HY | CY | N02 | H02 | 168.4° | 145.1° |
| HY | CY | C06 | C07 | 55.8° | 55.0° |
| HY | CY | C06 | H061 | 63.5° | 175.0° |
| HY | CY | C06 | H062 | 175.8° | 65.0° |
| CZ | N45 | C46 | C47 | 0.1° | 0.6° |
| CZ | N45 | C46 | H46 | 179.9° | 179.7° |
| N45 | CZ | S48 | C47 | 0.2° | 0.3° |
| S48 | CZ | N45 | C46 | 0.1° | 0.5° |
| CZ | S48 | C47 | C46 | 0.2° | 0.0° |
| CZ | S48 | C47 | H47 | 179.8° | 180.0° |
| N02 | C18 | O19 | C20 | 178.2° | 179.9° |
| N02 | C18 | C20 | N21 | 177.2° | 180.0° |
| N02 | C18 | C20 | H201 | 58.2° | 60.0° |
| N02 | C18 | C20 | H202 | 62.8° | 60.0° |
| H02 | N02 | C18 | O19 | 179.3° | 179.9° |
| H02 | N02 | C18 | C20 | 2.3° | 0.0° |
| C07 | C06 | H061 | H062 | 119.5° | 120.0° |
| C06 | C07 | C08 | H071 | 118.3° | 120.0° |
| C06 | C07 | C08 | H072 | 120.0° | 120.0° |
| C06 | C07 | H071 | H072 | 118.9° | 120.0° |
| C06 | C07 | C08 | N09 | 156.7° | 180.0° |
| C06 | C07 | C08 | H081 | 35.0° | 60.0° |
| C06 | C07 | C08 | H082 | 83.3° | 60.0° |
| H061 | C06 | C07 | C08 | 93.5° | 60.0° |
| H061 | C06 | C07 | H071 | 148.2° | 180.0° |
| H061 | C06 | C07 | H072 | 26.5° | 60.0° |
| H062 | C06 | C07 | C08 | 27.2° | 60.0° |
| H062 | C06 | C07 | H071 | 91.1° | 60.0° |
| H062 | C06 | C07 | H072 | 147.2° | 180.0° |
| C08 | C07 | H071 | H072 | 118.9° | 119.9° |
| C07 | C08 | N09 | H081 | 121.7° | 120.0° |
| C07 | C08 | N09 | H082 | 120.0° | 120.0° |
| C07 | C08 | H081 | H082 | 121.2° | 119.9° |
| C07 | C08 | N09 | C10 | 158.0° | 180.0° |
| C07 | C08 | N09 | H09 | 22.0° | 0.0° |
| H071 | C07 | C08 | N09 | 85.0° | 60.0° |
| H071 | C07 | C08 | H081 | 153.3° | NaN° |
| H071 | C07 | C08 | H082 | 35.0° | 60.0° |
| H072 | C07 | C08 | N09 | 36.7° | 60.0° |
| H072 | C07 | C08 | H081 | 84.9° | 60.0° |
| H072 | C07 | C08 | H082 | 156.7° | NaN° |
| N09 | C08 | H081 | H082 | 121.2° | 120.0° |
| C08 | N09 | C10 | H09 | 180.0° | 180.0° |
| C08 | N09 | C10 | N11 | 0.0° | 0.0° |
| C08 | N09 | C10 | NP2 | 179.8° | 180.0° |
| H081 | C08 | N09 | C10 | 36.3° | 60.0° |
| H081 | C08 | N09 | H09 | 143.7° | 120.0° |
| H082 | C08 | N09 | C10 | 82.0° | 60.0° |
| H082 | C08 | N09 | H09 | 98.0° | 120.0° |
| N09 | C10 | N11 | NP2 | 179.9° | 179.9° |
| N09 | C10 | N11 | H111 | 0.0° | 180.0° |
| N09 | C10 | N11 | H112 | 180.0° | 0.0° |
| N09 | C10 | NP2 | HP2 | 0.0° | 180.0° |
| H09 | N09 | C10 | N11 | 180.0° | 180.0° |
| H09 | N09 | C10 | NP2 | 0.1° | 0.0° |
| C10 | N11 | H111 | H112 | 180.0° | 180.0° |
| N11 | C10 | NP2 | HP2 | 179.9° | 0.0° |
| NP2 | C10 | N11 | H111 | 179.9° | 0.0° |
| NP2 | C10 | N11 | H112 | 0.2° | 180.0° |
| O19 | C18 | C20 | N21 | 1.2° | 0.1° |
| O19 | C18 | C20 | H201 | 120.2° | 120.0° |
| O19 | C18 | C20 | H202 | 118.8° | 119.9° |
| C18 | C20 | N21 | H201 | 119.0° | 119.9° |
| C18 | C20 | N21 | H202 | 120.0° | 120.0° |
| C18 | C20 | H201 | H202 | 119.3° | 120.0° |
| C18 | C20 | N21 | C22 | 77.8° | 85.3° |
| C18 | C20 | N21 | C26 | 99.3° | 94.4° |
| N21 | C20 | H201 | H202 | 119.4° | 120.0° |
| C20 | N21 | C22 | C26 | 177.4° | 179.7° |
| C20 | N21 | C22 | C23 | 179.0° | 179.7° |
| C20 | N21 | C22 | O27 | 0.7° | 0.3° |
| C20 | N21 | C26 | N25 | 179.7° | 180.0° |
| C20 | N21 | C26 | C33 | 0.7° | 0.0° |
| H201 | C20 | N21 | C22 | 41.2° | 34.7° |
| H201 | C20 | N21 | C26 | 141.7° | 145.6° |
| H202 | C20 | N21 | C22 | 162.2° | 154.7° |
| H202 | C20 | N21 | C26 | 20.7° | 25.6° |
| N21 | C22 | C23 | O27 | 178.4° | 179.4° |
| N21 | C22 | C23 | C24 | 2.8° | 0.6° |
| N21 | C22 | C23 | N28 | 180.0° | 179.7° |
| C22 | N21 | C26 | N25 | 3.2° | 0.4° |
| C22 | N21 | C26 | C33 | 177.8° | 179.7° |
| C26 | N21 | C22 | C23 | 3.6° | 0.6° |
| C26 | N21 | C22 | O27 | 178.1° | 180.0° |
| N21 | C26 | N25 | C24 | 2.2° | 0.1° |
| N21 | C26 | N25 | C33 | 179.1° | 180.0° |
| N21 | C26 | C33 | C34 | 73.3° | 53.8° |
| N21 | C26 | C33 | C38 | 107.8° | 126.6° |
| C22 | C23 | C24 | N28 | 176.9° | 179.7° |
| C22 | C23 | C24 | N25 | 1.6° | 0.4° |
| C22 | C23 | C24 | H24 | 178.4° | 179.7° |
| C22 | C23 | N28 | C30 | 177.6° | 179.7° |
| C22 | C23 | N28 | H28 | 62.3° | 0.3° |
| O27 | C22 | C23 | C24 | 178.8° | 180.0° |
| O27 | C22 | C23 | N28 | 1.6° | 0.3° |
| C23 | C24 | N25 | H24 | 180.0° | 179.9° |
| C23 | C24 | N25 | C26 | 1.4° | 0.1° |
| C24 | C23 | N28 | C30 | 0.9° | 0.0° |
| C24 | C23 | N28 | H28 | 120.9° | 180.0° |
| N28 | C23 | C24 | N25 | 178.5° | 180.0° |
| N28 | C23 | C24 | H24 | 1.5° | 0.0° |
| C23 | N28 | C30 | H28 | 120.0° | 180.0° |
| C23 | N28 | C30 | C31 | 84.1° | 85.0° |
| C23 | N28 | C30 | C32 | 154.5° | 155.0° |
| C23 | N28 | C30 | H30 | 34.3° | 35.0° |
| C24 | N25 | C26 | C33 | 178.7° | 180.0° |
| H24 | C24 | N25 | C26 | 178.6° | 180.0° |
| N25 | C26 | C33 | C34 | 107.6° | 126.2° |
| N25 | C26 | C33 | C38 | 71.4° | 53.5° |
| C26 | C33 | C34 | C38 | 179.0° | 179.7° |
| C26 | C33 | C34 | C35 | 178.8° | 180.0° |
| C26 | C33 | C34 | H34 | 1.2° | 0.1° |
| C26 | C33 | C38 | C37 | 178.7° | 179.8° |
| C26 | C33 | C38 | H38 | 1.3° | 0.3° |
| N28 | C30 | C31 | C32 | 119.6° | 120.0° |
| N28 | C30 | C31 | H30 | 120.3° | 120.0° |
| N28 | C30 | C32 | H30 | 120.3° | 120.0° |
| N28 | C30 | C31 | H311 | 161.9° | 60.0° |
| N28 | C30 | C31 | H312 | 78.1° | 60.0° |
| N28 | C30 | C31 | H313 | 41.9° | 180.0° |
| N28 | C30 | C32 | H321 | 148.7° | 60.0° |
| N28 | C30 | C32 | H322 | 91.3° | 60.0° |
| N28 | C30 | C32 | H323 | 28.7° | 180.0° |
| H28 | N28 | C30 | C31 | 155.8° | 95.0° |
| H28 | N28 | C30 | C32 | 34.5° | 25.0° |
| H28 | N28 | C30 | H30 | 85.7° | 144.9° |
| C31 | C30 | C32 | H30 | 118.5° | 120.0° |
| C30 | C31 | H311 | H312 | 120.0° | 120.0° |
| C30 | C31 | H311 | H313 | 120.0° | 120.0° |
| C30 | C31 | H312 | H313 | 120.0° | 120.0° |
| C31 | C30 | C32 | H321 | 90.1° | 60.0° |
| C31 | C30 | C32 | H322 | 29.9° | 180.0° |
| C31 | C30 | C32 | H323 | 149.9° | 60.0° |
| C32 | C30 | C31 | H311 | 42.3° | 180.0° |
| C32 | C30 | C31 | H312 | 162.3° | 60.0° |
| C32 | C30 | C31 | H313 | 77.7° | 60.0° |
| C30 | C32 | H321 | H322 | 120.0° | 120.1° |
| C30 | C32 | H321 | H323 | 120.0° | 120.0° |
| C30 | C32 | H322 | H323 | 120.0° | 120.0° |
| H30 | C30 | C31 | H311 | 77.8° | 60.0° |
| H30 | C30 | C31 | H312 | 42.2° | 179.9° |
| H30 | C30 | C31 | H313 | 162.2° | 60.0° |
| H30 | C30 | C32 | H321 | 28.3° | 180.0° |
| H30 | C30 | C32 | H322 | 148.4° | 60.0° |
| H30 | C30 | C32 | H323 | 91.7° | 60.0° |
| H311 | C31 | H312 | H313 | 120.0° | 120.0° |
| H321 | C32 | H322 | H323 | 120.0° | 120.0° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.3° | 0.0° |
| C33 | C34 | C35 | H35 | 179.8° | 179.9° |
| C34 | C33 | C38 | C37 | 0.3° | 0.6° |
| C34 | C33 | C38 | H38 | 179.7° | 180.0° |
| C38 | C33 | C34 | C35 | 0.2° | 0.3° |
| C38 | C33 | C34 | H34 | 179.8° | 179.8° |
| C33 | C38 | C37 | C36 | 0.3° | 0.5° |
| C33 | C38 | C37 | H38 | 180.0° | 179.5° |
| C33 | C38 | C37 | CL2 | 179.4° | 179.8° |
| C34 | C35 | C36 | H35 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 0.3° | 0.1° |
| C34 | C35 | C36 | CL1 | 179.5° | 180.0° |
| H34 | C34 | C35 | C36 | 179.8° | 179.9° |
| H34 | C34 | C35 | H35 | 0.2° | 0.0° |
| C35 | C36 | C37 | CL1 | 179.1° | 179.9° |
| C35 | C36 | C37 | C38 | 0.3° | 0.1° |
| C35 | C36 | C37 | CL2 | 179.3° | 179.9° |
| H35 | C35 | C36 | C37 | 179.7° | 180.0° |
| H35 | C35 | C36 | CL1 | 0.5° | 0.1° |
| C36 | C37 | C38 | CL2 | 179.7° | 179.8° |
| C36 | C37 | C38 | H38 | 179.7° | 180.0° |
| CL1 | C36 | C37 | C38 | 179.5° | 179.7° |
| CL1 | C36 | C37 | CL2 | 0.2° | 0.0° |
| CL2 | C37 | C38 | H38 | 0.6° | 0.3° |
| N45 | C46 | C47 | H46 | 180.0° | 179.6° |
| N45 | C46 | C47 | S48 | 0.2° | 0.3° |
| N45 | C46 | C47 | H47 | 179.8° | 179.7° |
| C46 | C47 | S48 | H47 | 180.0° | 180.0° |
| H46 | C46 | C47 | S48 | 179.8° | 180.0° |
| H46 | C46 | C47 | H47 | 0.2° | 0.1° |
