U89
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.46Å | 1.47Å | |
| N | C28 | sing | 1.35Å | 1.36Å | |
| N | HN | sing | 0.97Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.55Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| CB | CG | sing | 1.53Å | 1.51Å | |
| CB | HB1 | sing | 1.09Å | 1.11Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CG | CD | sing | 1.51Å | 1.51Å | |
| CG | HG1 | sing | 1.09Å | 1.12Å | |
| CG | HG2 | sing | 1.09Å | 1.12Å | |
| CD | OE1 | sing | 1.34Å | 1.24Å | |
| CD | OE2 | doub | 1.21Å | 1.22Å | |
| OE1 | HOE | sing | 0.97Å | 0.95Å | |
| C | OT1 | sing | 1.34Å | 1.26Å | |
| C | OT2 | doub | 1.21Å | 1.24Å | |
| OT1 | HOT | sing | 0.97Å | 0.95Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | OP4 | sing | 1.43Å | 1.44Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C4 | N5 | sing | 1.47Å | 1.45Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| N5 | C6 | sing | 1.35Å | 1.33Å | |
| N5 | HN5 | sing | 0.97Å | 1.02Å | |
| C6 | O6 | doub | 1.21Å | 1.23Å | |
| C6 | C7 | sing | 1.51Å | 1.53Å | |
| C7 | S | sing | 1.81Å | 1.82Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| S | C8 | sing | 1.81Å | 1.81Å | |
| C8 | C9 | sing | 1.51Å | 1.54Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C9 | O9 | doub | 1.21Å | 1.24Å | |
| C9 | N10 | sing | 1.35Å | 1.34Å | |
| N10 | C11 | sing | 1.46Å | 1.46Å | |
| N10 | C22 | sing | 1.39Å | 1.34Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C14 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C20 | doub | 1.39Å | 1.36Å | Aromatic |
| C15 | O15 | doub | 1.22Å | 1.24Å | |
| C15 | N16 | sing | 1.35Å | 1.39Å | Aromatic |
| N16 | C17 | sing | 1.36Å | 1.37Å | Aromatic |
| N16 | HN6 | sing | 0.97Å | 1.02Å | |
| C17 | N18 | sing | 1.37Å | 1.33Å | |
| C17 | N19 | doub | 1.32Å | 1.33Å | Aromatic |
| N18 | HN81 | sing | 0.97Å | 1.02Å | |
| N18 | HN82 | sing | 0.97Å | 1.02Å | |
| N19 | C20 | sing | 1.34Å | 1.33Å | Aromatic |
| C20 | N21 | sing | 1.38Å | 1.34Å | |
| N21 | HN11 | sing | 0.97Å | 1.02Å | |
| N21 | HN12 | sing | 0.97Å | 1.02Å | |
| C22 | C23 | doub | 1.39Å | 1.35Å | Aromatic |
| C22 | C27 | sing | 1.39Å | 1.34Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.35Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C24 | C25 | doub | 1.40Å | 1.36Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C25 | C26 | sing | 1.40Å | 1.35Å | Aromatic |
| C25 | C28 | sing | 1.48Å | 1.43Å | |
| C26 | C27 | doub | 1.38Å | 1.35Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | O28 | doub | 1.22Å | 1.24Å | |
| OP4 | P | sing | 1.61Å | 1.60Å | |
| P | OP1 | doub | 1.48Å | 1.60Å | |
| P | OP2 | sing | 1.61Å | 1.48Å | |
| P | OP3 | sing | 1.61Å | 1.48Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | C28 | 127.4° | 120.0° |
| CA | N | HN | 120.8° | 120.0° |
| N | CA | CB | 104.9° | 109.5° |
| N | CA | C | 124.3° | 109.5° |
| N | CA | HA | 103.0° | 109.5° |
| C28 | N | HN | 111.7° | 120.1° |
| N | C28 | C25 | 114.2° | 120.0° |
| N | C28 | O28 | 123.7° | 120.0° |
| CB | CA | C | 111.1° | 109.5° |
| CB | CA | HA | 118.5° | 109.5° |
| CA | CB | CG | 107.0° | 109.5° |
| CA | CB | HB1 | 113.1° | 109.5° |
| CA | CB | HB2 | 113.1° | 109.5° |
| C | CA | HA | 95.5° | 109.4° |
| CA | C | OT1 | 122.8° | 120.0° |
| CA | C | OT2 | 115.0° | 120.1° |
| CG | CB | HB1 | 113.1° | 109.4° |
| CG | CB | HB2 | 113.1° | 109.5° |
| CB | CG | CD | 114.7° | 109.5° |
| CB | CG | HG1 | 110.3° | 109.4° |
| CB | CG | HG2 | 110.3° | 109.5° |
| HB1 | CB | HB2 | 97.4° | 109.4° |
| CD | CG | HG1 | 110.3° | 109.4° |
| CD | CG | HG2 | 110.3° | 109.5° |
| CG | CD | OE1 | 119.4° | 120.0° |
| CG | CD | OE2 | 118.1° | 120.0° |
| HG1 | CG | HG2 | 99.9° | 109.4° |
| OE1 | CD | OE2 | 122.4° | 120.0° |
| CD | OE1 | HOE | 119.5° | 120.0° |
| OT1 | C | OT2 | 122.1° | 120.0° |
| C | OT1 | HOT | 122.8° | 120.0° |
| C2 | C1 | OP4 | 114.6° | 109.5° |
| C2 | C1 | H11 | 110.3° | 109.4° |
| C2 | C1 | H12 | 110.4° | 109.5° |
| C1 | C2 | C3 | 111.0° | 109.4° |
| C1 | C2 | H21 | 111.6° | 109.5° |
| C1 | C2 | H22 | 111.6° | 109.5° |
| OP4 | C1 | H11 | 110.4° | 109.5° |
| OP4 | C1 | H12 | 110.3° | 109.5° |
| C1 | OP4 | P | 119.4° | 106.8° |
| H11 | C1 | H12 | 99.9° | 109.5° |
| C3 | C2 | H21 | 111.7° | 109.4° |
| C3 | C2 | H22 | 111.6° | 109.5° |
| C2 | C3 | C4 | 110.5° | 109.5° |
| C2 | C3 | H31 | 111.8° | 109.4° |
| C2 | C3 | H32 | 111.8° | 109.5° |
| H21 | C2 | H22 | 98.8° | 109.5° |
| C4 | C3 | H31 | 111.9° | 109.4° |
| C4 | C3 | H32 | 111.9° | 109.5° |
| C3 | C4 | N5 | 114.3° | 109.5° |
| C3 | C4 | H41 | 110.4° | 109.4° |
| C3 | C4 | H42 | 110.4° | 109.5° |
| H31 | C3 | H32 | 98.5° | 109.5° |
| N5 | C4 | H41 | 110.4° | 109.5° |
| N5 | C4 | H42 | 110.4° | 109.5° |
| C4 | N5 | C6 | 122.7° | 120.0° |
| C4 | N5 | HN5 | 123.2° | 120.0° |
| H41 | C4 | H42 | 99.9° | 109.5° |
| C6 | N5 | HN5 | 114.1° | 120.0° |
| N5 | C6 | O6 | 120.5° | 120.0° |
| N5 | C6 | C7 | 118.3° | 120.0° |
| O6 | C6 | C7 | 121.2° | 120.0° |
| C6 | C7 | S | 114.2° | 109.5° |
| C6 | C7 | H71 | 110.4° | 109.5° |
| C6 | C7 | H72 | 110.5° | 109.4° |
| S | C7 | H71 | 110.5° | 109.5° |
| S | C7 | H72 | 110.5° | 109.5° |
| C7 | S | C8 | 99.5° | 100.0° |
| H71 | C7 | H72 | 99.8° | 109.4° |
| S | C8 | C9 | 116.2° | 109.4° |
| S | C8 | H81 | 109.8° | 109.4° |
| S | C8 | H82 | 109.7° | 109.5° |
| C9 | C8 | H81 | 109.8° | 109.5° |
| C9 | C8 | H82 | 109.8° | 109.5° |
| C8 | C9 | O9 | 119.2° | 120.1° |
| C8 | C9 | N10 | 122.3° | 119.9° |
| H81 | C8 | H82 | 100.4° | 109.5° |
| O9 | C9 | N10 | 118.2° | 120.0° |
| C9 | N10 | C11 | 119.3° | 120.0° |
| C9 | N10 | C22 | 122.3° | 120.0° |
| C11 | N10 | C22 | 118.3° | 120.0° |
| N10 | C11 | C12 | 108.3° | 109.5° |
| N10 | C11 | H111 | 112.7° | 109.5° |
| N10 | C11 | H112 | 112.6° | 109.5° |
| N10 | C22 | C23 | 121.9° | 119.9° |
| N10 | C22 | C27 | 118.3° | 119.9° |
| C12 | C11 | H111 | 112.6° | 109.5° |
| C12 | C11 | H112 | 112.6° | 109.5° |
| C11 | C12 | C13 | 111.7° | 109.5° |
| C11 | C12 | H121 | 111.4° | 109.5° |
| C11 | C12 | H122 | 111.4° | 109.4° |
| H111 | C11 | H112 | 97.8° | 109.4° |
| C13 | C12 | H121 | 111.4° | 109.5° |
| C13 | C12 | H122 | 111.4° | 109.5° |
| C12 | C13 | C14 | 116.4° | 109.5° |
| C12 | C13 | H131 | 109.7° | 109.4° |
| C12 | C13 | H132 | 109.7° | 109.5° |
| H121 | C12 | H122 | 99.0° | 109.5° |
| C14 | C13 | H131 | 109.7° | 109.5° |
| C14 | C13 | H132 | 109.7° | 109.5° |
| C13 | C14 | C15 | 118.4° | 120.7° |
| C13 | C14 | C20 | 120.1° | 120.6° |
| H131 | C13 | H132 | 100.5° | 109.5° |
| C15 | C14 | C20 | 121.5° | 118.7° |
| C14 | C15 | O15 | 126.1° | 120.5° |
| C14 | C15 | N16 | 113.6° | 118.9° |
| C14 | C20 | N19 | 121.9° | 119.8° |
| C14 | C20 | N21 | 122.2° | 120.1° |
| O15 | C15 | N16 | 120.3° | 120.6° |
| C15 | N16 | C17 | 123.3° | 120.2° |
| C15 | N16 | HN6 | 119.1° | 119.9° |
| C17 | N16 | HN6 | 117.6° | 119.9° |
| N16 | C17 | N18 | 119.6° | 119.3° |
| N16 | C17 | N19 | 120.1° | 121.4° |
| N18 | C17 | N19 | 120.3° | 119.3° |
| C17 | N18 | HN81 | 119.6° | 120.0° |
| C17 | N18 | HN82 | 108.5° | 120.0° |
| C17 | N19 | C20 | 119.5° | 121.1° |
| HN81 | N18 | HN82 | 108.6° | 119.9° |
| N19 | C20 | N21 | 115.8° | 120.1° |
| C20 | N21 | HN11 | 122.3° | 120.0° |
| C20 | N21 | HN12 | 107.7° | 119.9° |
| HN11 | N21 | HN12 | 107.6° | 120.1° |
| C23 | C22 | C27 | 119.7° | 120.2° |
| C22 | C23 | C24 | 119.6° | 120.1° |
| C22 | C23 | H23 | 120.0° | 120.0° |
| C22 | C27 | C26 | 120.3° | 120.0° |
| C22 | C27 | H27 | 119.4° | 120.0° |
| C24 | C23 | H23 | 120.4° | 119.9° |
| C23 | C24 | C25 | 121.6° | 119.9° |
| C23 | C24 | H24 | 119.0° | 120.1° |
| C25 | C24 | H24 | 119.3° | 120.0° |
| C24 | C25 | C26 | 117.3° | 119.8° |
| C24 | C25 | C28 | 123.4° | 120.1° |
| C26 | C25 | C28 | 119.3° | 120.1° |
| C25 | C26 | C27 | 121.5° | 120.0° |
| C25 | C26 | H26 | 119.3° | 120.0° |
| C25 | C28 | O28 | 122.1° | 120.0° |
| C27 | C26 | H26 | 119.2° | 120.0° |
| C26 | C27 | H27 | 120.3° | 120.0° |
| OP4 | P | OP1 | 102.1° | 109.5° |
| OP4 | P | OP2 | 108.7° | 109.5° |
| OP4 | P | OP3 | 111.1° | 109.5° |
| OP1 | P | OP2 | 111.0° | 109.5° |
| OP1 | P | OP3 | 106.5° | 109.5° |
| OP2 | P | OP3 | 116.4° | 109.4° |
| P | OP2 | HOP2 | 108.7° | 106.8° |
| P | OP3 | HOP3 | 111.1° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | C28 | HN | 180.0° | 180.0° |
| N | CA | CB | C | 136.7° | 120.0° |
| N | CA | CB | HA | 114.2° | 120.1° |
| N | CA | C | HA | 109.8° | 120.0° |
| N | CA | CB | CG | 73.6° | 60.0° |
| N | CA | CB | HB1 | 51.6° | 60.0° |
| N | CA | CB | HB2 | 161.1° | 180.0° |
| N | CA | C | OT1 | 112.7° | 30.0° |
| N | CA | C | OT2 | 71.8° | 150.0° |
| CA | N | C28 | C25 | 179.5° | 180.0° |
| CA | N | C28 | O28 | 0.5° | 0.1° |
| C28 | N | CA | CB | 68.5° | 150.0° |
| C28 | N | CA | C | 60.8° | 90.0° |
| C28 | N | CA | HA | 166.8° | 30.0° |
| N | C28 | C25 | C24 | 0.3° | 180.0° |
| N | C28 | C25 | C26 | 179.7° | 0.1° |
| N | C28 | C25 | O28 | 179.9° | 179.9° |
| HN | N | CA | CB | 111.6° | 30.0° |
| HN | N | CA | C | 119.1° | 90.0° |
| HN | N | CA | HA | 13.1° | 150.0° |
| HN | N | C28 | C25 | 0.5° | 0.0° |
| HN | N | C28 | O28 | 179.5° | 180.0° |
| CB | CA | C | HA | 123.5° | 119.9° |
| CA | CB | CG | HB1 | 125.3° | 120.0° |
| CA | CB | CG | HB2 | 125.2° | 120.1° |
| CA | CB | HB1 | HB2 | 119.1° | 120.0° |
| CA | CB | CG | CD | 178.6° | 180.0° |
| CA | CB | CG | HG1 | 56.1° | 60.0° |
| CA | CB | CG | HG2 | 53.3° | 59.9° |
| CB | CA | C | OT1 | 14.1° | 90.1° |
| CB | CA | C | OT2 | 161.5° | 90.0° |
| C | CA | CB | CG | 149.6° | 180.0° |
| C | CA | CB | HB1 | 85.1° | 60.0° |
| C | CA | CB | HB2 | 24.4° | 59.9° |
| CA | C | OT1 | OT2 | 175.3° | 180.0° |
| CA | C | OT1 | HOT | 179.9° | 180.0° |
| HA | CA | CB | CG | 40.6° | 60.1° |
| HA | CA | CB | HB1 | 165.8° | 180.0° |
| HA | CA | CB | HB2 | 84.7° | 60.0° |
| HA | CA | C | OT1 | 137.6° | 150.0° |
| HA | CA | C | OT2 | 38.0° | 30.0° |
| CG | CB | HB1 | HB2 | 119.0° | 120.0° |
| CB | CG | CD | HG1 | 125.3° | 119.9° |
| CB | CG | CD | HG2 | 125.3° | 120.1° |
| CB | CG | HG1 | HG2 | 116.1° | 120.0° |
| CB | CG | CD | OE1 | 109.0° | 180.0° |
| CB | CG | CD | OE2 | 73.7° | 0.1° |
| HB1 | CB | CG | CD | 53.3° | 60.0° |
| HB1 | CB | CG | HG1 | 178.6° | 180.0° |
| HB1 | CB | CG | HG2 | 72.0° | 60.1° |
| HB2 | CB | CG | CD | 56.2° | 59.9° |
| HB2 | CB | CG | HG1 | 69.1° | 60.0° |
| HB2 | CB | CG | HG2 | 178.5° | NaN° |
| CD | CG | HG1 | HG2 | 116.1° | 120.1° |
| CG | CD | OE1 | OE2 | 177.2° | 179.9° |
| CG | CD | OE1 | HOE | 180.0° | 179.9° |
| HG1 | CG | CD | OE1 | 16.3° | 60.1° |
| HG1 | CG | CD | OE2 | 161.1° | 120.0° |
| HG2 | CG | CD | OE1 | 125.7° | 59.9° |
| HG2 | CG | CD | OE2 | 51.6° | 120.0° |
| OE2 | CD | OE1 | HOE | 2.8° | 0.0° |
| OT2 | C | OT1 | HOT | 4.7° | 0.0° |
| C2 | C1 | OP4 | H11 | 125.3° | 120.0° |
| C2 | C1 | OP4 | H12 | 125.3° | 120.0° |
| C2 | C1 | H11 | H12 | 116.2° | 120.0° |
| C1 | C2 | C3 | H21 | 125.2° | 120.0° |
| C1 | C2 | C3 | H22 | 125.2° | 120.0° |
| C1 | C2 | H21 | H22 | 117.5° | 120.1° |
| C1 | C2 | C3 | C4 | 177.2° | 180.0° |
| C1 | C2 | C3 | H31 | 52.0° | 60.1° |
| C1 | C2 | C3 | H32 | 57.5° | 60.0° |
| C2 | C1 | OP4 | P | 174.4° | 180.0° |
| OP4 | C1 | H11 | H12 | 116.2° | 120.0° |
| OP4 | C1 | C2 | C3 | 95.4° | 180.0° |
| OP4 | C1 | C2 | H21 | 29.9° | 60.0° |
| OP4 | C1 | C2 | H22 | 139.4° | 60.0° |
| C1 | OP4 | P | OP1 | 48.0° | 60.0° |
| C1 | OP4 | P | OP2 | 69.4° | 180.0° |
| C1 | OP4 | P | OP3 | 161.3° | 60.0° |
| H11 | C1 | C2 | C3 | 29.9° | 60.1° |
| H11 | C1 | C2 | H21 | 155.2° | 180.0° |
| H11 | C1 | C2 | H22 | 95.3° | 59.9° |
| H11 | C1 | OP4 | P | 49.1° | 60.0° |
| H12 | C1 | C2 | C3 | 139.4° | 60.0° |
| H12 | C1 | C2 | H21 | 95.4° | 60.0° |
| H12 | C1 | C2 | H22 | 14.1° | 180.0° |
| H12 | C1 | OP4 | P | 60.3° | 60.0° |
| C3 | C2 | H21 | H22 | 117.5° | 120.0° |
| C2 | C3 | C4 | H31 | 125.2° | 119.9° |
| C2 | C3 | C4 | H32 | 125.3° | 120.0° |
| C2 | C3 | H31 | H32 | 117.7° | 120.0° |
| C2 | C3 | C4 | N5 | 86.6° | 179.9° |
| C2 | C3 | C4 | H41 | 148.1° | 60.1° |
| C2 | C3 | C4 | H42 | 38.6° | 60.0° |
| H21 | C2 | C3 | C4 | 57.5° | 60.0° |
| H21 | C2 | C3 | H31 | 177.2° | 180.0° |
| H21 | C2 | C3 | H32 | 67.8° | 60.0° |
| H22 | C2 | C3 | C4 | 52.0° | 59.9° |
| H22 | C2 | C3 | H31 | 73.3° | 60.0° |
| H22 | C2 | C3 | H32 | 177.3° | 180.0° |
| C4 | C3 | H31 | H32 | 117.8° | 120.0° |
| C3 | C4 | N5 | H41 | 125.3° | 120.0° |
| C3 | C4 | N5 | H42 | 125.2° | 120.0° |
| C3 | C4 | H41 | H42 | 116.2° | 120.0° |
| C3 | C4 | N5 | C6 | 89.1° | 180.0° |
| C3 | C4 | N5 | HN5 | 90.8° | 0.1° |
| H31 | C3 | C4 | N5 | 38.6° | 60.0° |
| H31 | C3 | C4 | H41 | 86.6° | 180.0° |
| H31 | C3 | C4 | H42 | 163.9° | 60.0° |
| H32 | C3 | C4 | N5 | 148.1° | 60.0° |
| H32 | C3 | C4 | H41 | 22.8° | 60.0° |
| H32 | C3 | C4 | H42 | 86.7° | 180.0° |
| N5 | C4 | H41 | H42 | 116.3° | 120.0° |
| C4 | N5 | C6 | HN5 | 180.0° | 180.0° |
| C4 | N5 | C6 | O6 | 3.8° | 0.0° |
| C4 | N5 | C6 | C7 | 176.6° | 180.0° |
| H41 | C4 | N5 | C6 | 145.6° | 60.0° |
| H41 | C4 | N5 | HN5 | 34.4° | 120.0° |
| H42 | C4 | N5 | C6 | 36.1° | 60.0° |
| H42 | C4 | N5 | HN5 | 144.0° | 120.0° |
| N5 | C6 | O6 | C7 | 179.6° | 180.0° |
| N5 | C6 | C7 | S | 109.7° | 180.0° |
| N5 | C6 | C7 | H71 | 125.0° | 59.9° |
| N5 | C6 | C7 | H72 | 15.6° | 60.0° |
| HN5 | N5 | C6 | O6 | 176.2° | 180.0° |
| HN5 | N5 | C6 | C7 | 3.4° | 0.0° |
| O6 | C6 | C7 | S | 70.7° | 0.0° |
| O6 | C6 | C7 | H71 | 54.6° | 120.1° |
| O6 | C6 | C7 | H72 | 164.0° | 120.1° |
| C6 | C7 | S | H71 | 125.3° | 120.1° |
| C6 | C7 | S | H72 | 125.3° | 120.0° |
| C6 | C7 | H71 | H72 | 116.3° | 119.9° |
| C6 | C7 | S | C8 | 161.2° | 180.0° |
| S | C7 | H71 | H72 | 116.4° | 120.0° |
| C7 | S | C8 | C9 | 66.4° | 180.0° |
| C7 | S | C8 | H81 | 168.3° | 60.0° |
| C7 | S | C8 | H82 | 58.9° | 60.0° |
| H71 | C7 | S | C8 | 36.0° | 60.0° |
| H72 | C7 | S | C8 | 73.5° | 60.0° |
| S | C8 | C9 | H81 | 125.3° | 119.9° |
| S | C8 | C9 | H82 | 125.2° | 120.0° |
| S | C8 | H81 | H82 | 115.5° | 120.0° |
| S | C8 | C9 | O9 | 12.4° | 5.1° |
| S | C8 | C9 | N10 | 174.2° | 174.9° |
| C9 | C8 | H81 | H82 | 115.6° | 120.1° |
| C8 | C9 | O9 | N10 | 173.6° | 180.0° |
| C8 | C9 | N10 | C11 | 179.8° | 5.7° |
| C8 | C9 | N10 | C22 | 1.8° | 174.3° |
| H81 | C8 | C9 | O9 | 112.9° | 125.0° |
| H81 | C8 | C9 | N10 | 60.5° | 55.0° |
| H82 | C8 | C9 | O9 | 137.7° | 114.9° |
| H82 | C8 | C9 | N10 | 49.0° | 65.1° |
| O9 | C9 | N10 | C11 | 6.8° | 174.3° |
| O9 | C9 | N10 | C22 | 175.2° | 5.8° |
| C9 | N10 | C11 | C22 | 178.1° | 180.0° |
| C9 | N10 | C11 | C12 | 84.0° | 92.5° |
| C9 | N10 | C11 | H111 | 41.2° | 27.6° |
| C9 | N10 | C11 | H112 | 150.7° | 147.5° |
| C9 | N10 | C22 | C23 | 68.3° | 87.1° |
| C9 | N10 | C22 | C27 | 109.3° | 93.2° |
| N10 | C11 | C12 | H111 | 125.3° | 120.0° |
| N10 | C11 | C12 | H112 | 125.2° | 120.0° |
| N10 | C11 | H111 | H112 | 118.6° | 120.0° |
| N10 | C11 | C12 | C13 | 179.2° | 175.7° |
| N10 | C11 | C12 | H121 | 55.6° | 55.7° |
| N10 | C11 | C12 | H122 | 53.9° | 64.3° |
| C11 | N10 | C22 | C23 | 109.7° | 92.9° |
| C11 | N10 | C22 | C27 | 72.6° | 86.8° |
| C22 | N10 | C11 | C12 | 94.1° | 87.5° |
| C22 | N10 | C11 | H111 | 140.7° | 152.4° |
| C22 | N10 | C11 | H112 | 31.2° | 32.4° |
| N10 | C22 | C23 | C27 | 177.6° | 179.7° |
| N10 | C22 | C23 | C24 | 177.1° | 180.0° |
| N10 | C22 | C23 | H23 | 2.9° | 0.0° |
| N10 | C22 | C27 | C26 | 177.1° | 179.8° |
| N10 | C22 | C27 | H27 | 2.9° | 0.3° |
| C12 | C11 | H111 | H112 | 118.6° | 120.0° |
| C11 | C12 | C13 | H121 | 125.3° | 120.0° |
| C11 | C12 | C13 | H122 | 125.3° | 120.0° |
| C11 | C12 | H121 | H122 | 117.3° | 120.0° |
| C11 | C12 | C13 | C14 | 59.7° | 180.0° |
| C11 | C12 | C13 | H131 | 175.1° | 60.0° |
| C11 | C12 | C13 | H132 | 65.6° | 60.0° |
| H111 | C11 | C12 | C13 | 53.9° | 64.3° |
| H111 | C11 | C12 | H121 | 179.2° | 175.7° |
| H111 | C11 | C12 | H122 | 71.4° | 55.7° |
| H112 | C11 | C12 | C13 | 55.6° | 55.7° |
| H112 | C11 | C12 | H121 | 69.7° | 64.3° |
| H112 | C11 | C12 | H122 | 179.1° | 175.7° |
| C13 | C12 | H121 | H122 | 117.2° | 120.0° |
| C12 | C13 | C14 | H131 | 125.2° | 119.9° |
| C12 | C13 | C14 | H132 | 125.3° | 120.0° |
| C12 | C13 | H131 | H132 | 115.5° | 120.0° |
| C12 | C13 | C14 | C15 | 108.7° | 89.9° |
| C12 | C13 | C14 | C20 | 70.3° | 90.0° |
| H121 | C12 | C13 | C14 | 65.6° | 60.0° |
| H121 | C12 | C13 | H131 | 59.7° | 180.0° |
| H121 | C12 | C13 | H132 | 169.1° | 60.0° |
| H122 | C12 | C13 | C14 | 175.0° | 60.0° |
| H122 | C12 | C13 | H131 | 49.8° | 60.0° |
| H122 | C12 | C13 | H132 | 59.7° | 179.9° |
| C14 | C13 | H131 | H132 | 115.5° | 120.1° |
| C13 | C14 | C15 | C20 | 179.0° | 180.0° |
| C13 | C14 | C15 | O15 | 0.2° | 0.0° |
| C13 | C14 | C15 | N16 | 179.6° | 179.8° |
| C13 | C14 | C20 | N19 | 179.2° | 180.0° |
| C13 | C14 | C20 | N21 | 1.6° | 0.0° |
| H131 | C13 | C14 | C15 | 126.0° | 30.0° |
| H131 | C13 | C14 | C20 | 54.9° | 150.0° |
| H132 | C13 | C14 | C15 | 16.6° | 150.0° |
| H132 | C13 | C14 | C20 | 164.4° | 30.0° |
| C14 | C15 | O15 | N16 | 179.7° | 179.8° |
| C14 | C15 | N16 | C17 | 0.9° | 0.5° |
| C14 | C15 | N16 | HN6 | 179.1° | 179.9° |
| C15 | C14 | C20 | N19 | 1.8° | 0.0° |
| C15 | C14 | C20 | N21 | 179.4° | 180.0° |
| C20 | C14 | C15 | O15 | 178.8° | 180.0° |
| C20 | C14 | C15 | N16 | 1.4° | 0.2° |
| C14 | C20 | N19 | C17 | 1.5° | 0.0° |
| C14 | C20 | N19 | N21 | 177.7° | 180.0° |
| C14 | C20 | N21 | HN11 | 180.0° | 180.0° |
| C14 | C20 | N21 | HN12 | 54.7° | 0.0° |
| O15 | C15 | N16 | C17 | 179.3° | 179.7° |
| O15 | C15 | N16 | HN6 | 0.7° | 0.3° |
| C15 | N16 | C17 | HN6 | 180.0° | 179.5° |
| C15 | N16 | C17 | N18 | 179.9° | 179.8° |
| C15 | N16 | C17 | N19 | 0.7° | 0.5° |
| N16 | C17 | N18 | N19 | 179.4° | 179.7° |
| N16 | C17 | N18 | HN81 | 180.0° | 179.7° |
| N16 | C17 | N18 | HN82 | 54.8° | 0.6° |
| N16 | C17 | N19 | C20 | 0.9° | 0.3° |
| HN6 | N16 | C17 | N18 | 0.1° | 0.3° |
| HN6 | N16 | C17 | N19 | 179.3° | 180.0° |
| C17 | N18 | HN81 | HN82 | 125.2° | 179.7° |
| N18 | C17 | N19 | C20 | 179.7° | 180.0° |
| N19 | C17 | N18 | HN81 | 0.6° | 0.0° |
| N19 | C17 | N18 | HN82 | 125.8° | 179.7° |
| C17 | N19 | C20 | N21 | 179.2° | 180.0° |
| N19 | C20 | N21 | HN11 | 2.3° | 0.0° |
| N19 | C20 | N21 | HN12 | 123.0° | 180.0° |
| C20 | N21 | HN11 | HN12 | 125.3° | 180.0° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.0° | 0.0° |
| C22 | C23 | C24 | H24 | 180.0° | 180.0° |
| C23 | C22 | C27 | C26 | 0.6° | 0.5° |
| C23 | C22 | C27 | H27 | 179.4° | 180.0° |
| C27 | C22 | C23 | C24 | 0.5° | 0.3° |
| C27 | C22 | C23 | H23 | 179.5° | 179.7° |
| C22 | C27 | C26 | C25 | 0.1° | 0.5° |
| C22 | C27 | C26 | H27 | 180.0° | 179.5° |
| C22 | C27 | C26 | H26 | 179.8° | 179.7° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.4° | 0.0° |
| C23 | C24 | C25 | C28 | 179.6° | 180.0° |
| H23 | C23 | C24 | C25 | 180.0° | 180.0° |
| H23 | C23 | C24 | H24 | 0.0° | 0.0° |
| C24 | C25 | C26 | C28 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.3° | 0.2° |
| C24 | C25 | C26 | H26 | 179.7° | 180.0° |
| C24 | C25 | C28 | O28 | 179.6° | 0.0° |
| H24 | C24 | C25 | C26 | 179.6° | 180.0° |
| H24 | C24 | C25 | C28 | 0.4° | 0.0° |
| C25 | C26 | C27 | H26 | 180.0° | 179.8° |
| C25 | C26 | C27 | H27 | 179.8° | 180.0° |
| C26 | C25 | C28 | O28 | 0.3° | 180.0° |
| C28 | C25 | C26 | C27 | 179.6° | 179.8° |
| C28 | C25 | C26 | H26 | 0.3° | 0.0° |
| H26 | C26 | C27 | H27 | 0.2° | 0.2° |
| OP4 | P | OP1 | OP2 | 115.7° | 120.0° |
| OP4 | P | OP1 | OP3 | 116.6° | 120.0° |
| OP4 | P | OP2 | OP3 | 126.4° | 120.0° |
| OP4 | P | OP2 | HOP2 | 180.0° | 180.0° |
| OP4 | P | OP3 | HOP3 | 180.0° | 60.0° |
| OP1 | P | OP2 | OP3 | 122.0° | 120.0° |
| OP1 | P | OP2 | HOP2 | 68.4° | 60.0° |
| OP1 | P | OP3 | HOP3 | 69.5° | 180.0° |
| OP2 | P | OP3 | HOP3 | 54.9° | 60.0° |
| OP3 | P | OP2 | HOP2 | 53.7° | 60.0° |






