7SZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C46 | N47 | doub | 1.32Å | 1.39Å | Aromatic |
| C46 | C44 | sing | 1.38Å | 1.44Å | Aromatic |
| CL45 | C44 | sing | 1.74Å | 1.70Å | |
| N47 | C08 | sing | 1.32Å | 1.35Å | Aromatic |
| C44 | C10 | doub | 1.40Å | 1.43Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.52Å | |
| C08 | N05 | sing | 1.39Å | 1.42Å | |
| C08 | C09 | doub | 1.39Å | 1.42Å | Aromatic |
| C03 | C04 | sing | 1.53Å | 1.49Å | |
| C03 | N02 | sing | 1.47Å | 1.42Å | |
| C10 | C09 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | N11 | sing | 1.40Å | 1.42Å | |
| C04 | N05 | sing | 1.47Å | 1.40Å | |
| N05 | C06 | sing | 1.47Å | 1.40Å | |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C22 | sing | 1.39Å | 1.42Å | Aromatic |
| O23 | C22 | sing | 1.36Å | 1.38Å | |
| N11 | C12 | sing | 1.35Å | 1.45Å | |
| C19 | C18 | sing | 1.40Å | 1.37Å | Aromatic |
| C22 | C24 | doub | 1.40Å | 1.41Å | Aromatic |
| N02 | C01 | sing | 1.47Å | 1.25Å | |
| N02 | C07 | sing | 1.47Å | 1.41Å | |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| C12 | O13 | doub | 1.21Å | 1.24Å | |
| C12 | C14 | sing | 1.51Å | 1.49Å | |
| C16 | C17 | doub | 1.36Å | 1.40Å | Aromatic |
| C16 | N15 | sing | 1.37Å | 1.30Å | Aromatic |
| C18 | C17 | sing | 1.48Å | 1.44Å | |
| C18 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.40Å | 1.44Å | Aromatic |
| C24 | C26 | sing | 1.43Å | 1.47Å | |
| C14 | N15 | sing | 1.46Å | 1.41Å | |
| C17 | C28 | sing | 1.47Å | 1.43Å | Aromatic |
| N15 | C43 | sing | 1.36Å | 1.39Å | Aromatic |
| C26 | N27 | trip | 1.14Å | 1.12Å | |
| C43 | C28 | doub | 1.40Å | 1.36Å | Aromatic |
| C43 | N42 | sing | 1.34Å | 1.43Å | |
| C28 | C29 | sing | 1.41Å | 1.46Å | |
| N42 | C41 | doub | 1.30Å | 1.41Å | |
| C29 | O30 | doub | 1.22Å | 1.18Å | |
| C29 | N31 | sing | 1.35Å | 1.38Å | |
| C41 | N31 | sing | 1.36Å | 1.39Å | |
| N31 | C32 | sing | 1.46Å | 1.44Å | |
| C32 | C33 | sing | 1.47Å | 1.45Å | |
| C33 | C34 | trip | 1.17Å | 1.15Å | |
| C34 | C35 | sing | 1.43Å | 1.48Å | |
| C35 | C36 | sing | 1.41Å | 1.37Å | Aromatic |
| C35 | C40 | doub | 1.37Å | 1.44Å | Aromatic |
| C36 | N37 | doub | 1.31Å | 1.38Å | Aromatic |
| C40 | N38 | sing | 1.35Å | 1.33Å | Aromatic |
| N37 | N38 | sing | 1.40Å | 1.34Å | Aromatic |
| N38 | C39 | sing | 1.47Å | 1.48Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | 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 | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H393 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.08Å | 1.08Å | |
| C41 | H411 | sing | 1.08Å | 1.08Å | |
| C46 | H461 | sing | 1.08Å | 1.08Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å | |
| O23 | H231 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N47 | C46 | C44 | 118.6° | 120.9° |
| C46 | N47 | C08 | 124.8° | 121.8° |
| N47 | C46 | H461 | 120.7° | 119.5° |
| C46 | C44 | CL45 | 120.0° | 120.4° |
| C46 | C44 | C10 | 116.9° | 119.2° |
| C44 | C46 | H461 | 120.7° | 119.5° |
| CL45 | C44 | C10 | 123.0° | 120.4° |
| N47 | C08 | N05 | 123.7° | 119.6° |
| N47 | C08 | C09 | 117.6° | 120.7° |
| C44 | C10 | C09 | 121.6° | 118.3° |
| C44 | C10 | N11 | 114.7° | 120.8° |
| C21 | C20 | C19 | 115.3° | 119.9° |
| C21 | C20 | C22 | 123.4° | 119.9° |
| C20 | C21 | H213 | 109.5° | 109.4° |
| C20 | C21 | H211 | 109.5° | 109.5° |
| C20 | C21 | H212 | 109.5° | 109.5° |
| N05 | C08 | C09 | 118.7° | 119.7° |
| C08 | N05 | C04 | 119.3° | 111.0° |
| C08 | N05 | C06 | 122.4° | 111.0° |
| C08 | C09 | C10 | 120.4° | 119.1° |
| C08 | C09 | H091 | 119.8° | 120.5° |
| C04 | C03 | N02 | 112.0° | 109.4° |
| C03 | C04 | N05 | 113.4° | 109.4° |
| C04 | C03 | H031 | 108.9° | 109.4° |
| C04 | C03 | H032 | 108.9° | 109.5° |
| C03 | C04 | H041 | 108.5° | 109.6° |
| C03 | C04 | H042 | 108.5° | 109.5° |
| C03 | N02 | C01 | 111.1° | 111.0° |
| C03 | N02 | C07 | 111.4° | 110.9° |
| N02 | C03 | H031 | 108.9° | 109.5° |
| N02 | C03 | H032 | 108.8° | 109.5° |
| C09 | C10 | N11 | 123.0° | 120.8° |
| C10 | C09 | H091 | 119.8° | 120.5° |
| C10 | N11 | C12 | 124.9° | 120.0° |
| C10 | N11 | H111 | 117.5° | 120.0° |
| C04 | N05 | C06 | 117.2° | 110.9° |
| N05 | C04 | H041 | 108.5° | 109.5° |
| N05 | C04 | H042 | 108.5° | 109.4° |
| N05 | C06 | C07 | 116.0° | 109.4° |
| N05 | C06 | H061 | 107.8° | 109.4° |
| N05 | C06 | H062 | 107.8° | 109.5° |
| C19 | C20 | C22 | 121.3° | 120.2° |
| C20 | C19 | C18 | 121.4° | 120.3° |
| C20 | C19 | H191 | 119.3° | 119.9° |
| C20 | C22 | O23 | 123.1° | 120.0° |
| C20 | C22 | C24 | 117.2° | 119.9° |
| O23 | C22 | C24 | 119.6° | 120.1° |
| C22 | O23 | H231 | 109.5° | 114.0° |
| N11 | C12 | O13 | 120.7° | 120.0° |
| N11 | C12 | C14 | 115.2° | 120.0° |
| C12 | N11 | H111 | 117.5° | 120.0° |
| C19 | C18 | C17 | 120.3° | 120.0° |
| C19 | C18 | C25 | 119.1° | 120.0° |
| C18 | C19 | H191 | 119.3° | 119.9° |
| C22 | C24 | C25 | 119.7° | 119.8° |
| C22 | C24 | C26 | 125.8° | 120.1° |
| C01 | N02 | C07 | 114.0° | 111.0° |
| N02 | C01 | H013 | 109.5° | 109.4° |
| N02 | C01 | H011 | 109.5° | 109.5° |
| N02 | C01 | H012 | 109.5° | 109.4° |
| N02 | C07 | C06 | 111.6° | 109.4° |
| N02 | C07 | H071 | 108.9° | 109.5° |
| N02 | C07 | H072 | 108.9° | 109.5° |
| C07 | C06 | H061 | 107.8° | 109.5° |
| C07 | C06 | H062 | 107.8° | 109.5° |
| C06 | C07 | H071 | 108.9° | 109.5° |
| C06 | C07 | H072 | 108.9° | 109.4° |
| O13 | C12 | C14 | 123.3° | 120.0° |
| C12 | C14 | N15 | 109.2° | 109.5° |
| C12 | C14 | H141 | 109.5° | 109.5° |
| C12 | C14 | H142 | 109.6° | 109.5° |
| C17 | C16 | N15 | 111.7° | 109.5° |
| C16 | C17 | C18 | 121.5° | 126.8° |
| C16 | C17 | C28 | 105.6° | 106.3° |
| C17 | C16 | H161 | 124.1° | 125.3° |
| C16 | N15 | C14 | 125.5° | 124.8° |
| C16 | N15 | C43 | 106.6° | 110.3° |
| N15 | C16 | H161 | 124.1° | 125.2° |
| C17 | C18 | C25 | 120.2° | 120.0° |
| C18 | C17 | C28 | 132.8° | 126.8° |
| C18 | C25 | C24 | 121.3° | 119.7° |
| C18 | C25 | H251 | 119.4° | 120.1° |
| C25 | C24 | C26 | 114.1° | 120.1° |
| C24 | C25 | H251 | 119.3° | 120.1° |
| C24 | C26 | N27 | 172.9° | 180.0° |
| C14 | N15 | C43 | 127.8° | 124.8° |
| N15 | C14 | H141 | 109.5° | 109.5° |
| N15 | C14 | H142 | 109.5° | 109.5° |
| C17 | C28 | C43 | 104.9° | 106.3° |
| C17 | C28 | C29 | 135.7° | 134.6° |
| N15 | C43 | C28 | 111.0° | 107.5° |
| N15 | C43 | N42 | 121.2° | 133.5° |
| C28 | C43 | N42 | 127.7° | 119.0° |
| C43 | C28 | C29 | 119.5° | 119.0° |
| C43 | N42 | C41 | 111.0° | 121.3° |
| C28 | C29 | O30 | 124.2° | 121.0° |
| C28 | C29 | N31 | 113.2° | 118.1° |
| N42 | C41 | N31 | 122.2° | 122.4° |
| N42 | C41 | H411 | 118.9° | 118.8° |
| O30 | C29 | N31 | 122.6° | 120.9° |
| C29 | N31 | C41 | 126.1° | 120.2° |
| C29 | N31 | C32 | 118.7° | 119.9° |
| C41 | N31 | C32 | 115.1° | 119.9° |
| N31 | C41 | H411 | 118.9° | 118.8° |
| N31 | C32 | C33 | 118.0° | 109.5° |
| N31 | C32 | H321 | 107.3° | 109.5° |
| N31 | C32 | H322 | 107.3° | 109.5° |
| C32 | C33 | C34 | 170.8° | 179.9° |
| C33 | C32 | H321 | 107.3° | 109.4° |
| C33 | C32 | H322 | 107.3° | 109.5° |
| C33 | C34 | C35 | 176.6° | 179.9° |
| C34 | C35 | C36 | 125.6° | 126.2° |
| C34 | C35 | C40 | 124.6° | 126.3° |
| C36 | C35 | C40 | 109.7° | 107.5° |
| C35 | C36 | N37 | 104.8° | 108.1° |
| C35 | C36 | H361 | 127.6° | 126.0° |
| C35 | C40 | N38 | 103.8° | 107.5° |
| C35 | C40 | H401 | 128.1° | 126.2° |
| C36 | N37 | N38 | 109.5° | 108.6° |
| N37 | C36 | H361 | 127.6° | 126.0° |
| C40 | N38 | N37 | 112.0° | 108.3° |
| C40 | N38 | C39 | 125.4° | 125.8° |
| N38 | C40 | H401 | 128.1° | 126.3° |
| N37 | N38 | C39 | 122.5° | 125.9° |
| N38 | C39 | H391 | 109.5° | 109.4° |
| N38 | C39 | H392 | 109.5° | 109.5° |
| N38 | C39 | H393 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.4° | 109.5° |
| H011 | C01 | H012 | 109.4° | 109.5° |
| H031 | C03 | H032 | 109.4° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.5° |
| H061 | C06 | H062 | 109.5° | 109.5° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H213 | C21 | H211 | 109.5° | 109.5° |
| H213 | C21 | H212 | 109.4° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.4° | 109.5° |
| H391 | C39 | H392 | 109.4° | 109.4° |
| H391 | C39 | H393 | 109.5° | 109.5° |
| H392 | C39 | H393 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N47 | C46 | C44 | H461 | 180.0° | 179.4° |
| N47 | C46 | C44 | CL45 | 178.0° | 179.8° |
| N47 | C46 | C44 | C10 | 2.5° | 0.3° |
| C46 | N47 | C08 | N05 | 177.4° | 179.8° |
| C46 | N47 | C08 | C09 | 2.2° | 0.5° |
| C46 | C44 | CL45 | C10 | 175.1° | 179.9° |
| C44 | C46 | N47 | C08 | 1.7° | 0.5° |
| C46 | C44 | C10 | C09 | 4.1° | 0.0° |
| C46 | C44 | C10 | N11 | 174.3° | 180.0° |
| CL45 | C44 | C10 | C09 | 179.4° | 180.0° |
| CL45 | C44 | C10 | N11 | 10.4° | 0.0° |
| CL45 | C44 | C46 | H461 | 2.0° | 0.4° |
| N47 | C08 | N05 | C09 | 179.5° | 179.8° |
| N47 | C08 | C09 | C10 | 3.6° | 0.2° |
| N47 | C08 | N05 | C04 | 28.3° | 0.3° |
| N47 | C08 | N05 | C06 | 164.1° | 123.6° |
| N47 | C08 | C09 | H091 | 176.3° | 179.7° |
| C08 | N47 | C46 | H461 | 178.3° | 179.9° |
| C44 | C10 | C09 | C08 | 4.8° | 0.0° |
| C44 | C10 | C09 | N11 | 169.4° | 180.0° |
| C44 | C10 | N11 | C12 | 179.7° | 155.5° |
| C44 | C10 | C09 | H091 | 175.2° | 179.9° |
| C10 | C44 | C46 | H461 | 177.5° | 179.7° |
| C44 | C10 | N11 | H111 | 0.3° | 24.5° |
| C21 | C20 | C19 | C22 | 178.1° | 179.9° |
| C21 | C20 | C22 | O23 | 1.5° | 0.0° |
| C21 | C20 | C19 | C18 | 178.8° | 180.0° |
| C21 | C20 | C22 | C24 | 178.2° | 180.0° |
| C21 | C20 | C19 | H191 | 1.1° | 0.1° |
| C20 | C21 | H213 | H211 | 120.0° | 120.0° |
| C20 | C21 | H213 | H212 | 120.0° | 120.0° |
| C20 | C21 | H211 | H212 | 120.0° | 120.0° |
| C08 | N05 | C04 | C03 | 151.6° | 176.8° |
| N05 | C08 | C09 | C10 | 175.9° | 179.9° |
| C08 | N05 | C04 | C06 | 168.2° | 123.9° |
| C08 | N05 | C06 | C07 | 157.1° | 176.8° |
| C08 | N05 | C04 | H041 | 31.0° | 56.8° |
| C08 | N05 | C04 | H042 | 87.8° | 63.2° |
| C08 | N05 | C06 | H061 | 36.1° | 63.3° |
| C08 | N05 | C06 | H062 | 82.0° | 56.8° |
| N05 | C08 | C09 | H091 | 4.1° | 0.1° |
| C08 | C09 | C10 | H091 | 180.0° | 179.9° |
| C08 | C09 | C10 | N11 | 174.1° | 180.0° |
| C09 | C08 | N05 | C04 | 152.1° | 179.9° |
| C09 | C08 | N05 | C06 | 15.4° | 56.2° |
| C04 | C03 | N02 | H031 | 120.4° | 120.0° |
| C04 | C03 | N02 | H032 | 120.4° | 120.0° |
| C03 | C04 | N05 | H041 | 120.6° | 120.1° |
| C03 | C04 | N05 | H042 | 120.6° | 120.0° |
| C03 | C04 | N05 | C06 | 40.2° | 59.2° |
| C04 | C03 | N02 | C01 | 172.4° | 176.8° |
| C04 | C03 | N02 | C07 | 59.4° | 59.3° |
| C04 | C03 | H031 | H032 | 118.9° | 120.0° |
| C03 | C04 | H041 | H042 | 118.2° | 120.1° |
| N02 | C03 | C04 | N05 | 52.1° | 58.4° |
| C03 | N02 | C01 | C07 | 126.8° | 123.8° |
| C03 | N02 | C07 | C06 | 52.7° | 59.3° |
| C03 | N02 | C01 | H013 | 180.0° | 60.0° |
| C03 | N02 | C01 | H011 | 60.0° | 180.0° |
| C03 | N02 | C01 | H012 | 60.0° | 60.0° |
| N02 | C03 | H031 | H032 | 118.9° | 120.1° |
| N02 | C03 | C04 | H041 | 172.7° | 178.4° |
| N02 | C03 | C04 | H042 | 68.5° | 61.5° |
| C03 | N02 | C07 | H071 | 173.0° | 60.6° |
| C03 | N02 | C07 | H072 | 67.6° | 179.3° |
| C09 | C10 | N11 | C12 | 9.6° | 24.5° |
| C09 | C10 | N11 | H111 | 170.4° | 155.5° |
| C10 | N11 | C12 | H111 | 180.0° | 180.0° |
| C10 | N11 | C12 | O13 | 13.9° | 5.6° |
| C10 | N11 | C12 | C14 | 176.5° | 174.4° |
| N11 | C10 | C09 | H091 | 5.8° | 0.1° |
| C04 | N05 | C06 | C07 | 35.1° | 59.3° |
| N05 | C04 | C03 | H031 | 172.5° | 178.4° |
| N05 | C04 | C03 | H032 | 68.3° | 61.6° |
| N05 | C04 | H041 | H042 | 118.2° | 120.0° |
| C04 | N05 | C06 | H061 | 156.1° | 60.7° |
| C04 | N05 | C06 | H062 | 85.8° | 179.3° |
| N05 | C06 | C07 | N02 | 40.8° | 58.4° |
| N05 | C06 | C07 | H061 | 120.9° | 119.9° |
| N05 | C06 | C07 | H062 | 121.0° | 120.0° |
| C06 | N05 | C04 | H041 | 160.8° | 179.3° |
| C06 | N05 | C04 | H042 | 80.3° | 60.7° |
| N05 | C06 | H061 | H062 | 117.0° | 120.1° |
| N05 | C06 | C07 | H071 | 161.1° | 61.6° |
| N05 | C06 | C07 | H072 | 79.5° | 178.4° |
| C19 | C20 | C22 | O23 | 179.4° | 180.0° |
| C20 | C19 | C18 | H191 | 180.0° | 179.9° |
| C19 | C20 | C22 | C24 | 3.8° | 0.1° |
| C20 | C19 | C18 | C17 | 175.0° | 180.0° |
| C20 | C19 | C18 | C25 | 2.7° | 0.3° |
| C19 | C20 | C21 | H213 | 90.8° | 90.0° |
| C19 | C20 | C21 | H211 | 149.2° | 150.1° |
| C19 | C20 | C21 | H212 | 29.2° | 30.0° |
| C20 | C22 | O23 | C24 | 176.7° | 180.0° |
| C22 | C20 | C19 | C18 | 0.7° | 0.1° |
| C20 | C22 | C24 | C25 | 3.5° | 0.3° |
| C20 | C22 | C24 | C26 | 176.2° | 180.0° |
| C22 | C20 | C19 | H191 | 179.3° | 180.0° |
| C22 | C20 | C21 | H213 | 91.1° | 89.9° |
| C22 | C20 | C21 | H211 | 28.9° | 30.0° |
| C22 | C20 | C21 | H212 | 148.9° | 150.1° |
| C20 | C22 | O23 | H231 | 180.0° | 90.0° |
| O23 | C22 | C24 | C25 | 179.6° | 179.8° |
| O23 | C22 | C24 | C26 | 7.0° | 0.0° |
| N11 | C12 | O13 | C14 | 168.8° | 180.0° |
| N11 | C12 | C14 | N15 | 138.5° | 180.0° |
| N11 | C12 | C14 | H141 | 18.6° | 60.0° |
| N11 | C12 | C14 | H142 | 101.5° | 60.0° |
| C19 | C18 | C17 | C16 | 27.1° | 49.8° |
| C19 | C18 | C17 | C25 | 172.2° | 179.7° |
| C19 | C18 | C25 | C24 | 3.0° | 0.5° |
| C19 | C18 | C17 | C28 | 147.9° | 130.3° |
| C19 | C18 | C25 | H251 | 177.0° | 179.7° |
| C22 | C24 | C25 | C18 | 0.2° | 0.5° |
| C22 | C24 | C25 | C26 | 173.5° | 179.8° |
| C22 | C24 | C26 | N27 | 79.0° | 104.8° |
| C22 | C24 | C25 | H251 | 179.8° | 179.7° |
| C24 | C22 | O23 | H231 | 3.4° | 90.0° |
| C01 | N02 | C07 | C06 | 179.4° | 176.8° |
| N02 | C01 | H013 | H011 | 120.0° | 120.0° |
| N02 | C01 | H013 | H012 | 120.0° | 119.9° |
| N02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C01 | N02 | C03 | H031 | 52.0° | 56.9° |
| C01 | N02 | C03 | H032 | 67.2° | 63.2° |
| C01 | N02 | C07 | H071 | 60.3° | 63.2° |
| C01 | N02 | C07 | H072 | 59.0° | 56.9° |
| N02 | C07 | C06 | H071 | 120.3° | 120.0° |
| N02 | C07 | C06 | H072 | 120.3° | 120.0° |
| C07 | N02 | C01 | H013 | 53.2° | 63.8° |
| C07 | N02 | C01 | H011 | 173.2° | 56.2° |
| C07 | N02 | C01 | H012 | 66.8° | 176.2° |
| C07 | N02 | C03 | H031 | 179.8° | 179.3° |
| C07 | N02 | C03 | H032 | 61.0° | 60.6° |
| N02 | C07 | C06 | H061 | 161.7° | 61.5° |
| N02 | C07 | C06 | H062 | 80.1° | 178.4° |
| N02 | C07 | H071 | H072 | 119.0° | 120.1° |
| C07 | C06 | H061 | H062 | 117.1° | 120.1° |
| C06 | C07 | H071 | H072 | 119.0° | 120.0° |
| O13 | C12 | C14 | N15 | 30.8° | 0.0° |
| O13 | C12 | C14 | H141 | 150.8° | 120.0° |
| O13 | C12 | C14 | H142 | 89.1° | 120.0° |
| O13 | C12 | N11 | H111 | 166.1° | 174.4° |
| C12 | C14 | N15 | C16 | 84.0° | 94.9° |
| C12 | C14 | N15 | H141 | 120.0° | 120.0° |
| C12 | C14 | N15 | H142 | 120.0° | 120.0° |
| C12 | C14 | N15 | C43 | 93.6° | 85.0° |
| C12 | C14 | H141 | H142 | 120.1° | 120.0° |
| C14 | C12 | N11 | H111 | 3.5° | 5.6° |
| C17 | C16 | N15 | H161 | 180.0° | 179.8° |
| C16 | C17 | C18 | C28 | 175.0° | 179.9° |
| C16 | C17 | C18 | C25 | 145.1° | 129.9° |
| C17 | C16 | N15 | C14 | 179.0° | 180.0° |
| C17 | C16 | N15 | C43 | 3.1° | 0.1° |
| C16 | C17 | C28 | C43 | 2.4° | 0.0° |
| C16 | C17 | C28 | C29 | 177.0° | 180.0° |
| N15 | C16 | C17 | C18 | 179.7° | 180.0° |
| C16 | N15 | C14 | C43 | 177.5° | 179.9° |
| N15 | C16 | C17 | C28 | 3.5° | 0.1° |
| C16 | N15 | C43 | C28 | 1.4° | 0.0° |
| C16 | N15 | C43 | N42 | 177.4° | 180.0° |
| C16 | N15 | C14 | H141 | 36.0° | 145.1° |
| C16 | N15 | C14 | H142 | 156.1° | 25.1° |
| C17 | C18 | C25 | C24 | 175.3° | 179.8° |
| C18 | C17 | C28 | C43 | 178.0° | 180.0° |
| C18 | C17 | C28 | C29 | 1.4° | 0.0° |
| C18 | C17 | C16 | H161 | 0.3° | 0.2° |
| C17 | C18 | C19 | H191 | 5.0° | 0.1° |
| C17 | C18 | C25 | H251 | 4.8° | 0.0° |
| C18 | C25 | C24 | H251 | 180.0° | 179.8° |
| C18 | C25 | C24 | C26 | 173.7° | 179.7° |
| C25 | C18 | C17 | C28 | 39.9° | 50.0° |
| C25 | C18 | C19 | H191 | 177.3° | 179.8° |
| C25 | C24 | C26 | N27 | 108.0° | 75.0° |
| C26 | C24 | C25 | H251 | 6.3° | 0.0° |
| C14 | N15 | C43 | C28 | 179.3° | 179.9° |
| C14 | N15 | C43 | N42 | 0.5° | 0.1° |
| N15 | C14 | H141 | H142 | 120.1° | 120.0° |
| C14 | N15 | C16 | H161 | 1.0° | 0.2° |
| C17 | C28 | C43 | N15 | 0.7° | 0.0° |
| C17 | C28 | C43 | C29 | 179.6° | 180.0° |
| C17 | C28 | C43 | N42 | 179.4° | 180.0° |
| C17 | C28 | C29 | O30 | 1.0° | 0.0° |
| C17 | C28 | C29 | N31 | 179.5° | 180.0° |
| C28 | C17 | C16 | H161 | 176.5° | 179.7° |
| N15 | C43 | C28 | N42 | 178.7° | 180.0° |
| N15 | C43 | C28 | C29 | 178.8° | 180.0° |
| N15 | C43 | N42 | C41 | 177.6° | 180.0° |
| C43 | N15 | C14 | H141 | 146.5° | 35.0° |
| C43 | N15 | C14 | H142 | 26.4° | 155.0° |
| C43 | N15 | C16 | H161 | 176.9° | 179.7° |
| C28 | C43 | N42 | C41 | 3.8° | 0.0° |
| C43 | C28 | C29 | O30 | 179.6° | 180.0° |
| C43 | C28 | C29 | N31 | 1.0° | 0.0° |
| N42 | C43 | C28 | C29 | 0.2° | 0.0° |
| C43 | N42 | C41 | N31 | 6.5° | 0.1° |
| C43 | N42 | C41 | H411 | 173.5° | 180.0° |
| C28 | C29 | O30 | N31 | 178.4° | 179.9° |
| C28 | C29 | N31 | C41 | 1.9° | 0.1° |
| C28 | C29 | N31 | C32 | 174.0° | 180.0° |
| N42 | C41 | N31 | C29 | 6.1° | 0.1° |
| N42 | C41 | N31 | H411 | 180.0° | 179.9° |
| N42 | C41 | N31 | C32 | 169.8° | 180.0° |
| O30 | C29 | N31 | C41 | 176.7° | 180.0° |
| O30 | C29 | N31 | C32 | 7.4° | 0.1° |
| C29 | N31 | C41 | C32 | 176.0° | 179.9° |
| C29 | N31 | C32 | C33 | 89.7° | 89.9° |
| C29 | N31 | C32 | H321 | 149.0° | 30.1° |
| C29 | N31 | C32 | H322 | 31.5° | 150.1° |
| C29 | N31 | C41 | H411 | 173.8° | 179.9° |
| C41 | N31 | C32 | C33 | 93.9° | 90.0° |
| C41 | N31 | C32 | H321 | 27.3° | 150.1° |
| C41 | N31 | C32 | H322 | 144.8° | 30.1° |
| N31 | C32 | C33 | H321 | 121.2° | 120.0° |
| N31 | C32 | C33 | H322 | 121.3° | 120.0° |
| N31 | C32 | C33 | C34 | 147.3° | 144.8° |
| N31 | C32 | H321 | H322 | 116.1° | 120.0° |
| C32 | N31 | C41 | H411 | 10.2° | 0.1° |
| C32 | C33 | C34 | C35 | 75.4° | 176.3° |
| C33 | C32 | H321 | H322 | 116.1° | 120.0° |
| C33 | C34 | C35 | C36 | 44.4° | 99.0° |
| C33 | C34 | C35 | C40 | 135.8° | 81.4° |
| C34 | C33 | C32 | H321 | 26.1° | 95.3° |
| C34 | C33 | C32 | H322 | 91.4° | 24.7° |
| C34 | C35 | C36 | C40 | 179.8° | 179.7° |
| C34 | C35 | C36 | N37 | 179.3° | 180.0° |
| C34 | C35 | C40 | N38 | 177.8° | 180.0° |
| C34 | C35 | C36 | H361 | 0.7° | 0.1° |
| C34 | C35 | C40 | H401 | 2.2° | 0.0° |
| C35 | C36 | N37 | H361 | 180.0° | 180.0° |
| C36 | C35 | C40 | N38 | 2.0° | 0.3° |
| C35 | C36 | N37 | N38 | 3.5° | 0.2° |
| C36 | C35 | C40 | H401 | 178.0° | 179.7° |
| C40 | C35 | C36 | N37 | 0.9° | 0.3° |
| C35 | C40 | N38 | H401 | 180.0° | 180.0° |
| C35 | C40 | N38 | N37 | 4.4° | 0.2° |
| C35 | C40 | N38 | C39 | 179.8° | 179.9° |
| C40 | C35 | C36 | H361 | 179.1° | 179.8° |
| C36 | N37 | N38 | C40 | 5.2° | 0.0° |
| C36 | N37 | N38 | C39 | 178.8° | 179.8° |
| C40 | N38 | N37 | C39 | 176.0° | 179.8° |
| C40 | N38 | C39 | H391 | 175.4° | 90.0° |
| C40 | N38 | C39 | H392 | 64.6° | 150.0° |
| C40 | N38 | C39 | H393 | 55.4° | 30.0° |
| N38 | N37 | C36 | H361 | 176.5° | 179.9° |
| N37 | N38 | C39 | H391 | 0.0° | 90.2° |
| N37 | N38 | C39 | H392 | 120.0° | 29.7° |
| N37 | N38 | C39 | H393 | 120.0° | 149.8° |
| N37 | N38 | C40 | H401 | 175.7° | 179.8° |
| N38 | C39 | H391 | H392 | 120.0° | 120.0° |
| N38 | C39 | H391 | H393 | 120.0° | 120.0° |
| N38 | C39 | H392 | H393 | 120.0° | 120.0° |
| C39 | N38 | C40 | H401 | 0.2° | 0.0° |
| H013 | C01 | H011 | H012 | 119.9° | 120.0° |
| H031 | C03 | C04 | H041 | 66.9° | 61.6° |
| H031 | C03 | C04 | H042 | 51.9° | 58.5° |
| H032 | C03 | C04 | H041 | 52.3° | 58.4° |
| H032 | C03 | C04 | H042 | 171.1° | 178.5° |
| H061 | C06 | C07 | H071 | 77.9° | 178.5° |
| H061 | C06 | C07 | H072 | 41.4° | 58.5° |
| H062 | C06 | C07 | H071 | 40.2° | 58.5° |
| H062 | C06 | C07 | H072 | 159.5° | 61.6° |
| H213 | C21 | H211 | H212 | 120.0° | 120.0° |
| H391 | C39 | H392 | H393 | 120.0° | 120.0° |
