SBZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BD | OE1 | sing | 1.42Å | 1.39Å | |
| BD | OE2 | sing | 1.42Å | 1.40Å | |
| BD | OE3 | sing | 1.43Å | 1.42Å | |
| OE1 | CZ1 | sing | 1.43Å | 1.42Å | |
| OE2 | CZ2 | sing | 1.44Å | 1.41Å | |
| OE3 | CZ3 | sing | 1.45Å | 1.41Å | |
| CZ2 | CZ3 | sing | 1.55Å | 1.52Å | |
| CZ2 | HZ22 | sing | 1.09Å | 1.09Å | |
| CZ2 | HZ23 | sing | 1.09Å | 1.09Å | |
| CZ3 | HZ32 | sing | 1.09Å | 1.09Å | |
| CZ3 | HZ33 | sing | 1.09Å | 1.09Å | |
| CZ1 | CH | sing | 1.51Å | 1.51Å | |
| CZ1 | HZ12 | sing | 1.09Å | 1.09Å | |
| CZ1 | HZ13 | sing | 1.09Å | 1.09Å | |
| CH | CQ1 | doub | 1.38Å | 1.41Å | Aromatic |
| CH | CQ2 | sing | 1.38Å | 1.40Å | Aromatic |
| CQ1 | CI1 | sing | 1.38Å | 1.41Å | Aromatic |
| CQ1 | HQ1 | sing | 1.08Å | 1.08Å | |
| CQ2 | CI2 | doub | 1.38Å | 1.40Å | Aromatic |
| CQ2 | HQ2 | sing | 1.08Å | 1.08Å | |
| CI1 | CK | doub | 1.40Å | 1.41Å | Aromatic |
| CI1 | HI1 | sing | 1.08Å | 1.08Å | |
| CI2 | CK | sing | 1.40Å | 1.41Å | Aromatic |
| CI2 | HI2 | sing | 1.08Å | 1.08Å | |
| CK | CL | sing | 1.48Å | 1.41Å | |
| CL | NM1 | doub | 1.33Å | 1.33Å | |
| CL | NM2 | sing | 1.33Å | 1.34Å | |
| NM1 | HM12 | sing | 0.97Å | 1.01Å | |
| NM1 | HM13 | sing | 0.97Å | 1.01Å | |
| NM2 | HM22 | sing | 0.97Å | 1.01Å | |
| NM2 | HM23 | sing | 0.97Å | 1.01Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OE1 | BD | OE2 | 108.2° | 125.5° |
| OE1 | BD | OE3 | 114.0° | 125.5° |
| BD | OE1 | CZ1 | 119.3° | 106.8° |
| OE2 | BD | OE3 | 106.3° | 109.1° |
| BD | OE2 | CZ2 | 108.4° | 107.4° |
| BD | OE3 | CZ3 | 110.6° | 104.8° |
| OE1 | CZ1 | CH | 117.1° | 109.5° |
| OE1 | CZ1 | HZ12 | 109.0° | 109.5° |
| OE1 | CZ1 | HZ13 | 105.5° | 109.5° |
| OE2 | CZ2 | CZ3 | 105.4° | 102.9° |
| OE2 | CZ2 | HZ22 | 111.6° | 110.7° |
| OE2 | CZ2 | HZ23 | 108.7° | 110.7° |
| OE3 | CZ3 | CZ2 | 104.1° | 101.5° |
| OE3 | CZ3 | HZ32 | 110.2° | 111.2° |
| OE3 | CZ3 | HZ33 | 110.4° | 110.9° |
| CZ3 | CZ2 | HZ22 | 110.7° | 110.7° |
| CZ3 | CZ2 | HZ23 | 109.5° | 110.7° |
| CZ2 | CZ3 | HZ32 | 110.3° | 111.0° |
| CZ2 | CZ3 | HZ33 | 110.6° | 111.0° |
| HZ22 | CZ2 | HZ23 | 110.7° | 110.8° |
| HZ32 | CZ3 | HZ33 | 111.0° | 110.9° |
| CH | CZ1 | HZ12 | 109.4° | 109.5° |
| CH | CZ1 | HZ13 | 108.3° | 109.5° |
| CZ1 | CH | CQ1 | 121.7° | 119.8° |
| CZ1 | CH | CQ2 | 118.3° | 119.8° |
| HZ12 | CZ1 | HZ13 | 107.0° | 109.5° |
| CQ1 | CH | CQ2 | 119.8° | 120.3° |
| CH | CQ1 | CI1 | 119.9° | 120.1° |
| CH | CQ1 | HQ1 | 120.6° | 120.0° |
| CH | CQ2 | CI2 | 120.2° | 120.1° |
| CH | CQ2 | HQ2 | 119.9° | 120.0° |
| CI1 | CQ1 | HQ1 | 119.5° | 119.9° |
| CQ1 | CI1 | CK | 120.5° | 119.9° |
| CQ1 | CI1 | HI1 | 118.4° | 120.1° |
| CI2 | CQ2 | HQ2 | 119.8° | 119.9° |
| CQ2 | CI2 | CK | 120.8° | 119.9° |
| CQ2 | CI2 | HI2 | 118.0° | 120.0° |
| CK | CI1 | HI1 | 120.9° | 120.1° |
| CI1 | CK | CI2 | 118.6° | 119.7° |
| CI1 | CK | CL | 121.3° | 120.2° |
| CK | CI2 | HI2 | 121.2° | 120.1° |
| CI2 | CK | CL | 120.1° | 120.1° |
| CK | CL | NM1 | 122.0° | 120.0° |
| CK | CL | NM2 | 122.4° | 120.0° |
| NM1 | CL | NM2 | 115.6° | 120.0° |
| CL | NM1 | HM12 | 120.6° | 120.0° |
| CL | NM1 | HM13 | 119.4° | 120.0° |
| CL | NM2 | HM22 | 120.2° | 120.0° |
| CL | NM2 | HM23 | 119.6° | 120.0° |
| HM12 | NM1 | HM13 | 119.9° | 120.0° |
| HM22 | NM2 | HM23 | 119.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OE1 | BD | OE2 | OE3 | 122.8° | 179.8° |
| OE1 | BD | OE2 | CZ2 | 99.5° | 178.8° |
| OE1 | BD | OE3 | CZ3 | 103.8° | 155.2° |
| BD | OE1 | CZ1 | CH | 124.3° | 180.0° |
| BD | OE1 | CZ1 | HZ12 | 110.9° | 60.0° |
| BD | OE1 | CZ1 | HZ13 | 3.7° | 60.0° |
| OE2 | BD | OE1 | CZ1 | 178.9° | 180.0° |
| OE2 | BD | OE3 | CZ3 | 15.2° | 25.0° |
| BD | OE2 | CZ2 | CZ3 | 21.9° | 20.9° |
| BD | OE2 | CZ2 | HZ22 | 142.2° | 139.2° |
| BD | OE2 | CZ2 | HZ23 | 95.4° | 97.5° |
| OE3 | BD | OE1 | CZ1 | 61.0° | 0.3° |
| OE3 | BD | OE2 | CZ2 | 23.3° | 1.5° |
| BD | OE3 | CZ3 | CZ2 | 1.8° | 36.4° |
| BD | OE3 | CZ3 | HZ32 | 120.1° | 81.8° |
| BD | OE3 | CZ3 | HZ33 | 117.0° | 154.4° |
| OE1 | CZ1 | CH | HZ12 | 124.6° | 120.0° |
| OE1 | CZ1 | CH | HZ13 | 119.0° | 120.0° |
| OE1 | CZ1 | HZ12 | HZ13 | 113.6° | 120.0° |
| OE1 | CZ1 | CH | CQ1 | 121.8° | 90.0° |
| OE1 | CZ1 | CH | CQ2 | 61.7° | 90.0° |
| OE2 | CZ2 | CZ3 | OE3 | 12.1° | 35.2° |
| OE2 | CZ2 | CZ3 | HZ22 | 120.9° | 118.3° |
| OE2 | CZ2 | CZ3 | HZ23 | 116.8° | 118.4° |
| OE2 | CZ2 | HZ22 | HZ23 | 121.2° | 123.3° |
| OE2 | CZ2 | CZ3 | HZ32 | 106.1° | 83.0° |
| OE2 | CZ2 | CZ3 | HZ33 | 130.7° | 153.2° |
| OE3 | CZ3 | CZ2 | HZ32 | 118.2° | 118.3° |
| OE3 | CZ3 | CZ2 | HZ33 | 118.6° | 117.9° |
| OE3 | CZ3 | CZ2 | HZ22 | 133.0° | 153.6° |
| OE3 | CZ3 | CZ2 | HZ23 | 104.7° | 83.1° |
| OE3 | CZ3 | HZ32 | HZ33 | 122.7° | 123.9° |
| CZ3 | CZ2 | HZ22 | HZ23 | 121.6° | 123.3° |
| CZ2 | CZ3 | HZ32 | HZ33 | 123.0° | 123.9° |
| HZ22 | CZ2 | CZ3 | HZ32 | 14.8° | 35.3° |
| HZ22 | CZ2 | CZ3 | HZ33 | 108.4° | 88.5° |
| HZ23 | CZ2 | CZ3 | HZ32 | 137.1° | 158.6° |
| HZ23 | CZ2 | CZ3 | HZ33 | 14.0° | 34.8° |
| CH | CZ1 | HZ12 | HZ13 | 117.1° | 120.0° |
| CZ1 | CH | CQ1 | CQ2 | 176.4° | 180.0° |
| CZ1 | CH | CQ1 | CI1 | 176.0° | 180.0° |
| CZ1 | CH | CQ1 | HQ1 | 2.6° | 0.0° |
| CZ1 | CH | CQ2 | CI2 | 173.3° | 179.7° |
| CZ1 | CH | CQ2 | HQ2 | 3.8° | 0.0° |
| HZ12 | CZ1 | CH | CQ1 | 2.8° | 150.0° |
| HZ12 | CZ1 | CH | CQ2 | 173.7° | 30.0° |
| HZ13 | CZ1 | CH | CQ1 | 119.1° | 30.0° |
| HZ13 | CZ1 | CH | CQ2 | 57.3° | 150.0° |
| CH | CQ1 | CI1 | HQ1 | 178.7° | 180.0° |
| CQ1 | CH | CQ2 | CI2 | 3.2° | 0.3° |
| CQ1 | CH | CQ2 | HQ2 | 179.7° | 180.0° |
| CH | CQ1 | CI1 | CK | 2.5° | 0.0° |
| CH | CQ1 | CI1 | HI1 | 177.5° | 180.0° |
| CQ2 | CH | CQ1 | CI1 | 0.4° | 0.1° |
| CQ2 | CH | CQ1 | HQ1 | 179.1° | 180.0° |
| CH | CQ2 | CI2 | HQ2 | 177.1° | 179.7° |
| CH | CQ2 | CI2 | CK | 3.2° | 0.6° |
| CH | CQ2 | CI2 | HI2 | 177.8° | 180.0° |
| CQ1 | CI1 | CK | HI1 | 174.9° | 180.0° |
| CQ1 | CI1 | CK | CI2 | 2.5° | 0.2° |
| CQ1 | CI1 | CK | CL | 175.9° | 180.0° |
| HQ1 | CQ1 | CI1 | CK | 176.2° | 180.0° |
| HQ1 | CQ1 | CI1 | HI1 | 1.2° | 0.0° |
| CQ2 | CI2 | CK | CI1 | 0.3° | 0.5° |
| CQ2 | CI2 | CK | HI2 | 179.0° | 179.4° |
| CQ2 | CI2 | CK | CL | 178.8° | 179.7° |
| HQ2 | CQ2 | CI2 | CK | 179.7° | 179.8° |
| HQ2 | CQ2 | CI2 | HI2 | 0.6° | 0.3° |
| CI1 | CK | CI2 | CL | 178.4° | 179.8° |
| CI1 | CK | CI2 | HI2 | 179.3° | 179.9° |
| CI1 | CK | CL | NM1 | 17.1° | 30.0° |
| CI1 | CK | CL | NM2 | 161.0° | 149.9° |
| HI1 | CI1 | CK | CI2 | 177.4° | 179.8° |
| HI1 | CI1 | CK | CL | 1.0° | 0.0° |
| CI2 | CK | CL | NM1 | 164.5° | 149.7° |
| CI2 | CK | CL | NM2 | 17.4° | 30.3° |
| HI2 | CI2 | CK | CL | 2.2° | 0.3° |
| CK | CL | NM1 | NM2 | 178.2° | 180.0° |
| CK | CL | NM1 | HM12 | 5.2° | 0.0° |
| CK | CL | NM1 | HM13 | 179.8° | 180.0° |
| CK | CL | NM2 | HM22 | 5.1° | 180.0° |
| CK | CL | NM2 | HM23 | 177.8° | 0.3° |
| CL | NM1 | HM12 | HM13 | 174.9° | 180.0° |
| NM1 | CL | NM2 | HM22 | 173.1° | 0.0° |
| NM1 | CL | NM2 | HM23 | 0.4° | 179.7° |
| NM2 | CL | NM1 | HM12 | 176.6° | 180.0° |
| NM2 | CL | NM1 | HM13 | 1.6° | 0.0° |
| CL | NM2 | HM22 | HM23 | 172.7° | 179.7° |
