SB4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA1 | CA2 | sing | 1.53Å | 1.55Å | |
| CA1 | CA6 | sing | 1.53Å | 1.55Å | |
| CA1 | H11 | sing | 1.09Å | 1.11Å | |
| CA1 | H12 | sing | 1.09Å | 1.12Å | |
| CA2 | NA3 | sing | 1.47Å | 1.51Å | |
| CA2 | H21 | sing | 1.09Å | 1.12Å | |
| CA2 | H22 | sing | 1.09Å | 1.11Å | |
| NA3 | CA4 | sing | 1.47Å | 1.51Å | |
| NA3 | HN3 | sing | 1.01Å | 1.02Å | |
| CA4 | CA5 | sing | 1.53Å | 1.56Å | |
| CA4 | H41 | sing | 1.09Å | 1.12Å | |
| CA4 | H42 | sing | 1.09Å | 1.11Å | |
| CA5 | CA6 | sing | 1.53Å | 1.56Å | |
| CA5 | H51 | sing | 1.09Å | 1.12Å | |
| CA5 | H52 | sing | 1.09Å | 1.11Å | |
| CA6 | ND1 | sing | 1.46Å | 1.51Å | |
| CA6 | H6 | sing | 1.09Å | 1.12Å | |
| CB1 | CB2 | doub | 1.38Å | 1.41Å | Aromatic |
| CB1 | CB6 | sing | 1.39Å | 1.44Å | Aromatic |
| CB1 | HB1 | sing | 1.08Å | 1.10Å | |
| CB2 | CB3 | sing | 1.39Å | 1.41Å | Aromatic |
| CB2 | HB2 | sing | 1.08Å | 1.10Å | |
| CB3 | CB4 | doub | 1.39Å | 1.42Å | Aromatic |
| CB3 | FB7 | sing | 1.35Å | 1.36Å | |
| CB4 | CB5 | sing | 1.38Å | 1.42Å | Aromatic |
| CB4 | HB4 | sing | 1.08Å | 1.10Å | |
| CB5 | CB6 | doub | 1.39Å | 1.44Å | Aromatic |
| CB5 | HB5 | sing | 1.08Å | 1.10Å | |
| CB6 | CD4 | sing | 1.48Å | 1.44Å | Aromatic |
| CC1 | CC2 | sing | 1.40Å | 1.45Å | Aromatic |
| CC1 | CC6 | doub | 1.38Å | 1.42Å | Aromatic |
| CC1 | HC1 | sing | 1.08Å | 1.10Å | |
| CC2 | NC3 | doub | 1.33Å | 1.37Å | Aromatic |
| CC2 | CD5 | sing | 1.47Å | 1.45Å | Aromatic |
| NC3 | CC4 | sing | 1.32Å | 1.33Å | Aromatic |
| CC4 | NC5 | doub | 1.32Å | 1.33Å | Aromatic |
| CC4 | NC7 | sing | 1.38Å | 1.31Å | |
| NC5 | CC6 | sing | 1.32Å | 1.35Å | Aromatic |
| CC6 | HC6 | sing | 1.08Å | 1.10Å | |
| NC7 | HN71 | sing | 0.97Å | 1.02Å | |
| NC7 | HN72 | sing | 0.97Å | 1.02Å | |
| ND1 | CD2 | sing | 1.35Å | 1.39Å | Aromatic |
| ND1 | CD5 | sing | 1.38Å | 1.43Å | Aromatic |
| CD2 | ND3 | doub | 1.30Å | 1.35Å | Aromatic |
| CD2 | H2 | sing | 1.08Å | 1.10Å | |
| ND3 | CD4 | sing | 1.34Å | 1.40Å | Aromatic |
| CD4 | CD5 | doub | 1.38Å | 1.49Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA2 | CA1 | CA6 | 110.8° | 109.2° |
| CA2 | CA1 | H11 | 111.8° | 109.5° |
| CA2 | CA1 | H12 | 111.8° | 109.4° |
| CA1 | CA2 | NA3 | 113.9° | 109.8° |
| CA1 | CA2 | H21 | 110.6° | 109.4° |
| CA1 | CA2 | H22 | 110.5° | 109.5° |
| CA6 | CA1 | H11 | 111.7° | 109.5° |
| CA6 | CA1 | H12 | 111.7° | 109.6° |
| CA1 | CA6 | CA5 | 110.9° | 108.9° |
| CA1 | CA6 | ND1 | 109.3° | 109.6° |
| CA1 | CA6 | H6 | 109.9° | 109.7° |
| H11 | CA1 | H12 | 98.7° | 109.6° |
| NA3 | CA2 | H21 | 110.6° | 109.4° |
| NA3 | CA2 | H22 | 110.6° | 109.4° |
| CA2 | NA3 | CA4 | 117.0° | 107.3° |
| CA2 | NA3 | HN3 | 109.5° | 106.7° |
| H21 | CA2 | H22 | 99.7° | 109.4° |
| CA4 | NA3 | HN3 | 109.5° | 106.7° |
| NA3 | CA4 | CA5 | 111.9° | 109.8° |
| NA3 | CA4 | H41 | 111.3° | 109.4° |
| NA3 | CA4 | H42 | 111.3° | 109.4° |
| CA5 | CA4 | H41 | 111.2° | 109.4° |
| CA5 | CA4 | H42 | 111.3° | 109.5° |
| CA4 | CA5 | CA6 | 114.1° | 109.2° |
| CA4 | CA5 | H51 | 110.5° | 109.5° |
| CA4 | CA5 | H52 | 110.6° | 109.5° |
| H41 | CA4 | H42 | 99.1° | 109.4° |
| CA6 | CA5 | H51 | 110.5° | 109.5° |
| CA6 | CA5 | H52 | 110.5° | 109.5° |
| CA5 | CA6 | ND1 | 113.0° | 109.5° |
| CA5 | CA6 | H6 | 105.9° | 109.6° |
| H51 | CA5 | H52 | 99.7° | 109.5° |
| ND1 | CA6 | H6 | 107.7° | 109.6° |
| CA6 | ND1 | CD2 | 128.8° | 126.4° |
| CA6 | ND1 | CD5 | 132.3° | 126.3° |
| CB2 | CB1 | CB6 | 121.1° | 119.9° |
| CB2 | CB1 | HB1 | 118.4° | 120.0° |
| CB1 | CB2 | CB3 | 119.9° | 120.1° |
| CB1 | CB2 | HB2 | 120.2° | 120.0° |
| CB6 | CB1 | HB1 | 120.5° | 120.0° |
| CB1 | CB6 | CB5 | 117.6° | 119.7° |
| CB1 | CB6 | CD4 | 122.8° | 120.1° |
| CB3 | CB2 | HB2 | 119.9° | 119.9° |
| CB2 | CB3 | CB4 | 120.5° | 120.2° |
| CB2 | CB3 | FB7 | 119.6° | 119.9° |
| CB4 | CB3 | FB7 | 119.9° | 119.9° |
| CB3 | CB4 | CB5 | 119.8° | 120.1° |
| CB3 | CB4 | HB4 | 120.2° | 119.9° |
| CB5 | CB4 | HB4 | 120.0° | 120.0° |
| CB4 | CB5 | CB6 | 121.0° | 119.9° |
| CB4 | CB5 | HB5 | 118.8° | 120.0° |
| CB6 | CB5 | HB5 | 120.2° | 120.0° |
| CB5 | CB6 | CD4 | 119.5° | 120.2° |
| CB6 | CD4 | ND3 | 120.7° | 126.3° |
| CB6 | CD4 | CD5 | 130.7° | 126.3° |
| CC2 | CC1 | CC6 | 116.0° | 118.4° |
| CC2 | CC1 | HC1 | 122.8° | 120.8° |
| CC1 | CC2 | NC3 | 119.3° | 118.9° |
| CC1 | CC2 | CD5 | 121.8° | 120.5° |
| CC6 | CC1 | HC1 | 121.2° | 120.7° |
| CC1 | CC6 | NC5 | 121.8° | 119.3° |
| CC1 | CC6 | HC6 | 121.7° | 120.3° |
| NC3 | CC2 | CD5 | 118.9° | 120.6° |
| CC2 | NC3 | CC4 | 119.1° | 120.6° |
| CC2 | CD5 | ND1 | 122.5° | 127.0° |
| CC2 | CD5 | CD4 | 128.8° | 126.9° |
| NC3 | CC4 | NC5 | 125.7° | 121.8° |
| NC3 | CC4 | NC7 | 117.1° | 119.1° |
| NC5 | CC4 | NC7 | 117.2° | 119.1° |
| CC4 | NC5 | CC6 | 118.1° | 121.0° |
| CC4 | NC7 | HN71 | 117.1° | 120.0° |
| CC4 | NC7 | HN72 | 109.5° | 120.0° |
| NC5 | CC6 | HC6 | 116.5° | 120.3° |
| HN71 | NC7 | HN72 | 109.4° | 120.0° |
| CD2 | ND1 | CD5 | 99.0° | 107.3° |
| ND1 | CD2 | ND3 | 122.5° | 109.6° |
| ND1 | CD2 | H2 | 120.1° | 125.2° |
| ND1 | CD5 | CD4 | 108.8° | 106.1° |
| ND3 | CD2 | H2 | 117.4° | 125.2° |
| CD2 | ND3 | CD4 | 101.2° | 109.6° |
| ND3 | CD4 | CD5 | 108.6° | 107.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA2 | CA1 | CA6 | H11 | 125.3° | 119.9° |
| CA2 | CA1 | CA6 | H12 | 125.3° | 119.9° |
| CA2 | CA1 | H11 | H12 | 117.7° | 120.1° |
| CA1 | CA2 | NA3 | H21 | 125.2° | 120.0° |
| CA1 | CA2 | NA3 | H22 | 125.2° | 120.1° |
| CA1 | CA2 | H21 | H22 | 116.4° | 119.9° |
| CA1 | CA2 | NA3 | CA4 | 47.4° | 65.6° |
| CA1 | CA2 | NA3 | HN3 | 77.9° | 179.7° |
| CA2 | CA1 | CA6 | CA5 | 54.1° | 55.6° |
| CA2 | CA1 | CA6 | ND1 | 179.3° | 175.4° |
| CA2 | CA1 | CA6 | H6 | 62.7° | 64.3° |
| CA6 | CA1 | H11 | H12 | 117.5° | 120.2° |
| CA6 | CA1 | CA2 | NA3 | 51.4° | 61.4° |
| CA6 | CA1 | CA2 | H21 | 73.8° | 58.6° |
| CA6 | CA1 | CA2 | H22 | 176.7° | 178.5° |
| CA1 | CA6 | CA5 | CA4 | 53.1° | 55.6° |
| CA1 | CA6 | CA5 | ND1 | 123.1° | 119.8° |
| CA1 | CA6 | CA5 | H6 | 119.2° | 119.9° |
| CA1 | CA6 | CA5 | H51 | 178.3° | 64.3° |
| CA1 | CA6 | CA5 | H52 | 72.2° | 175.6° |
| CA1 | CA6 | ND1 | H6 | 119.4° | 120.3° |
| CA1 | CA6 | ND1 | CD2 | 98.1° | 59.9° |
| CA1 | CA6 | ND1 | CD5 | 81.4° | 120.1° |
| H11 | CA1 | CA2 | NA3 | 73.8° | 178.7° |
| H11 | CA1 | CA2 | H21 | 160.9° | 61.2° |
| H11 | CA1 | CA2 | H22 | 51.4° | 58.6° |
| H11 | CA1 | CA6 | CA5 | 71.2° | 175.5° |
| H11 | CA1 | CA6 | ND1 | 54.0° | 64.7° |
| H11 | CA1 | CA6 | H6 | 172.0° | 55.5° |
| H12 | CA1 | CA2 | NA3 | 176.7° | 58.6° |
| H12 | CA1 | CA2 | H21 | 51.4° | 178.6° |
| H12 | CA1 | CA2 | H22 | 58.0° | 61.6° |
| H12 | CA1 | CA6 | CA5 | 179.4° | 64.3° |
| H12 | CA1 | CA6 | ND1 | 55.4° | 55.5° |
| H12 | CA1 | CA6 | H6 | 62.6° | 175.8° |
| NA3 | CA2 | H21 | H22 | 116.5° | 119.9° |
| CA2 | NA3 | CA4 | HN3 | 125.2° | 114.0° |
| CA2 | NA3 | CA4 | CA5 | 43.8° | 65.6° |
| CA2 | NA3 | CA4 | H41 | 81.4° | 54.5° |
| CA2 | NA3 | CA4 | H42 | 169.1° | 174.2° |
| H21 | CA2 | NA3 | CA4 | 77.9° | 54.4° |
| H21 | CA2 | NA3 | HN3 | 156.9° | 59.7° |
| H22 | CA2 | NA3 | CA4 | 172.6° | 174.3° |
| H22 | CA2 | NA3 | HN3 | 47.4° | 60.2° |
| NA3 | CA4 | CA5 | H41 | 125.3° | 120.1° |
| NA3 | CA4 | CA5 | H42 | 125.3° | 120.1° |
| NA3 | CA4 | H41 | H42 | 117.2° | 119.8° |
| NA3 | CA4 | CA5 | CA6 | 46.7° | 61.4° |
| NA3 | CA4 | CA5 | H51 | 171.9° | 58.5° |
| NA3 | CA4 | CA5 | H52 | 78.6° | 178.7° |
| HN3 | NA3 | CA4 | CA5 | 81.4° | 179.6° |
| HN3 | NA3 | CA4 | H41 | 153.4° | 59.6° |
| HN3 | NA3 | CA4 | H42 | 43.9° | 60.2° |
| CA5 | CA4 | H41 | H42 | 117.2° | 119.9° |
| CA4 | CA5 | CA6 | H51 | 125.2° | 119.9° |
| CA4 | CA5 | CA6 | H52 | 125.3° | 120.0° |
| CA4 | CA5 | H51 | H52 | 116.4° | 120.2° |
| CA4 | CA5 | CA6 | ND1 | 176.2° | 175.4° |
| CA4 | CA5 | CA6 | H6 | 66.1° | 64.3° |
| H41 | CA4 | CA5 | CA6 | 78.6° | 58.7° |
| H41 | CA4 | CA5 | H51 | 46.7° | 178.6° |
| H41 | CA4 | CA5 | H52 | 156.1° | 61.3° |
| H42 | CA4 | CA5 | CA6 | 172.0° | 178.5° |
| H42 | CA4 | CA5 | H51 | 62.8° | 61.6° |
| H42 | CA4 | CA5 | H52 | 46.7° | 58.6° |
| CA6 | CA5 | H51 | H52 | 116.3° | 120.1° |
| CA5 | CA6 | ND1 | H6 | 116.6° | 120.3° |
| CA5 | CA6 | ND1 | CD2 | 26.0° | 59.5° |
| CA5 | CA6 | ND1 | CD5 | 154.5° | 120.6° |
| H51 | CA5 | CA6 | ND1 | 58.6° | 55.5° |
| H51 | CA5 | CA6 | H6 | 59.1° | 175.7° |
| H52 | CA5 | CA6 | ND1 | 50.9° | 64.6° |
| H52 | CA5 | CA6 | H6 | 168.5° | 55.6° |
| CA6 | ND1 | CD5 | CC2 | 0.4° | 0.0° |
| CA6 | ND1 | CD2 | CD5 | 179.6° | 180.0° |
| CA6 | ND1 | CD2 | ND3 | 179.3° | 180.0° |
| CA6 | ND1 | CD2 | H2 | 0.7° | 0.1° |
| CA6 | ND1 | CD5 | CD4 | 179.2° | 179.7° |
| H6 | CA6 | ND1 | CD2 | 142.6° | 179.8° |
| H6 | CA6 | ND1 | CD5 | 37.9° | 0.3° |
| CB2 | CB1 | CB6 | HB1 | 180.0° | 179.9° |
| CB1 | CB2 | CB3 | HB2 | 180.0° | 179.9° |
| CB1 | CB2 | CB3 | CB4 | 0.0° | 0.1° |
| CB1 | CB2 | CB3 | FB7 | 180.0° | 180.0° |
| CB2 | CB1 | CB6 | CB5 | 0.1° | 0.3° |
| CB2 | CB1 | CB6 | CD4 | 179.9° | 180.0° |
| CB6 | CB1 | CB2 | CB3 | 0.1° | 0.0° |
| CB6 | CB1 | CB2 | HB2 | 179.9° | 180.0° |
| CB1 | CB6 | CB5 | CB4 | 0.1° | 0.6° |
| CB1 | CB6 | CB5 | CD4 | 180.0° | 179.7° |
| CB1 | CB6 | CB5 | HB5 | 179.9° | 179.9° |
| CB1 | CB6 | CD4 | ND3 | 119.7° | 40.0° |
| CB1 | CB6 | CD4 | CD5 | 63.6° | 139.6° |
| HB1 | CB1 | CB2 | CB3 | 180.0° | 179.9° |
| HB1 | CB1 | CB2 | HB2 | 0.1° | 0.0° |
| HB1 | CB1 | CB6 | CB5 | 179.9° | 179.8° |
| HB1 | CB1 | CB6 | CD4 | 0.1° | 0.1° |
| CB2 | CB3 | CB4 | FB7 | 180.0° | 179.9° |
| CB2 | CB3 | CB4 | CB5 | 0.0° | 0.2° |
| CB2 | CB3 | CB4 | HB4 | 180.0° | 179.9° |
| HB2 | CB2 | CB3 | CB4 | 180.0° | 180.0° |
| HB2 | CB2 | CB3 | FB7 | 0.0° | 0.1° |
| CB3 | CB4 | CB5 | HB4 | 180.0° | 179.7° |
| CB3 | CB4 | CB5 | CB6 | 0.0° | 0.5° |
| CB3 | CB4 | CB5 | HB5 | 180.0° | 180.0° |
| FB7 | CB3 | CB4 | CB5 | 180.0° | 179.7° |
| FB7 | CB3 | CB4 | HB4 | 0.0° | 0.0° |
| CB4 | CB5 | CB6 | HB5 | 180.0° | 179.5° |
| CB4 | CB5 | CB6 | CD4 | 179.9° | 179.7° |
| HB4 | CB4 | CB5 | CB6 | 180.0° | 179.8° |
| HB4 | CB4 | CB5 | HB5 | 0.0° | 0.2° |
| CB5 | CB6 | CD4 | ND3 | 60.3° | 139.7° |
| CB5 | CB6 | CD4 | CD5 | 116.4° | 40.7° |
| HB5 | CB5 | CB6 | CD4 | 0.1° | 0.2° |
| CB6 | CD4 | CD5 | CC2 | 3.0° | 0.2° |
| CB6 | CD4 | CD5 | ND1 | 176.6° | 180.0° |
| CB6 | CD4 | ND3 | CD2 | 177.2° | 179.9° |
| CB6 | CD4 | ND3 | CD5 | 177.3° | 179.7° |
| CC2 | CC1 | CC6 | HC1 | 180.0° | 180.0° |
| CC1 | CC2 | NC3 | CD5 | 179.9° | 179.8° |
| CC1 | CC2 | NC3 | CC4 | 0.1° | 0.5° |
| CC2 | CC1 | CC6 | NC5 | 0.2° | 0.0° |
| CC2 | CC1 | CC6 | HC6 | 179.8° | 180.0° |
| CC1 | CC2 | CD5 | ND1 | 134.1° | 40.0° |
| CC1 | CC2 | CD5 | CD4 | 45.5° | 139.7° |
| CC6 | CC1 | CC2 | NC3 | 0.2° | 0.3° |
| CC6 | CC1 | CC2 | CD5 | 179.7° | 179.9° |
| CC1 | CC6 | NC5 | CC4 | 0.1° | 0.1° |
| CC1 | CC6 | NC5 | HC6 | 180.0° | 180.0° |
| HC1 | CC1 | CC2 | NC3 | 179.8° | 179.7° |
| HC1 | CC1 | CC2 | CD5 | 0.3° | 0.0° |
| HC1 | CC1 | CC6 | NC5 | 179.8° | 180.0° |
| HC1 | CC1 | CC6 | HC6 | 0.2° | 0.0° |
| CC2 | NC3 | CC4 | NC5 | 0.1° | 0.5° |
| CC2 | NC3 | CC4 | NC7 | 179.9° | 179.7° |
| NC3 | CC2 | CD5 | ND1 | 45.9° | 140.3° |
| NC3 | CC2 | CD5 | CD4 | 134.4° | 40.0° |
| CD5 | CC2 | NC3 | CC4 | 179.9° | 179.7° |
| CC2 | CD5 | ND1 | CD2 | 179.9° | 180.0° |
| CC2 | CD5 | ND1 | CD4 | 179.7° | 179.8° |
| CC2 | CD5 | CD4 | ND3 | 180.0° | 179.9° |
| NC3 | CC4 | NC5 | NC7 | 180.0° | 179.8° |
| NC3 | CC4 | NC5 | CC6 | 0.1° | 0.2° |
| NC3 | CC4 | NC7 | HN71 | 180.0° | 179.7° |
| NC3 | CC4 | NC7 | HN72 | 54.7° | 0.5° |
| CC4 | NC5 | CC6 | HC6 | 179.9° | 180.0° |
| NC5 | CC4 | NC7 | HN71 | 0.1° | 0.1° |
| NC5 | CC4 | NC7 | HN72 | 125.3° | 179.7° |
| NC7 | CC4 | NC5 | CC6 | 179.9° | 180.0° |
| CC4 | NC7 | HN71 | HN72 | 125.2° | 179.8° |
| ND1 | CD2 | ND3 | H2 | 180.0° | 179.9° |
| ND1 | CD2 | ND3 | CD4 | 0.1° | 0.2° |
| CD2 | ND1 | CD5 | CD4 | 0.4° | 0.2° |
| CD5 | ND1 | CD2 | ND3 | 0.3° | 0.0° |
| CD5 | ND1 | CD2 | H2 | 179.7° | 179.9° |
| ND1 | CD5 | CD4 | ND3 | 0.4° | 0.4° |
| CD2 | ND3 | CD4 | CD5 | 0.2° | 0.4° |
| H2 | CD2 | ND3 | CD4 | 179.9° | 179.8° |
