BW5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C8 | sing | 1.53Å | 1.52Å | |
| C10 | C3 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C9 | C1 | sing | 1.53Å | 1.54Å | |
| C7 | C5 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C1 | CB | sing | 1.53Å | 1.49Å | |
| C1 | C6 | sing | 1.53Å | 1.53Å | |
| CB | CA | sing | 1.53Å | 1.49Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.08Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C10 | C3 | 109.5° | 109.5° |
| C10 | C8 | C9 | 109.2° | 109.5° |
| C10 | C8 | C7 | 110.2° | 109.5° |
| C10 | C8 | H18 | 109.4° | 109.5° |
| C8 | C10 | H16 | 109.5° | 109.5° |
| C8 | C10 | H17 | 109.5° | 109.5° |
| C10 | C3 | C2 | 109.3° | 109.5° |
| C10 | C3 | C4 | 109.5° | 109.5° |
| C10 | C3 | H6 | 109.6° | 109.5° |
| C3 | C10 | H16 | 109.5° | 109.5° |
| C3 | C10 | H17 | 109.5° | 109.5° |
| C9 | C8 | C7 | 109.5° | 109.4° |
| C8 | C9 | C1 | 110.1° | 109.5° |
| C8 | C9 | H14 | 109.3° | 109.5° |
| C8 | C9 | H15 | 109.3° | 109.5° |
| C9 | C8 | H18 | 109.3° | 109.5° |
| C8 | C7 | C5 | 109.4° | 109.5° |
| C7 | C8 | H18 | 109.3° | 109.4° |
| C8 | C7 | H12 | 109.5° | 109.5° |
| C8 | C7 | H13 | 109.5° | 109.4° |
| C2 | C3 | C4 | 109.4° | 109.4° |
| C3 | C2 | C1 | 110.1° | 109.4° |
| C3 | C2 | H3 | 109.3° | 109.5° |
| C3 | C2 | H4 | 109.3° | 109.5° |
| C2 | C3 | H6 | 109.4° | 109.5° |
| C3 | C4 | C5 | 109.6° | 109.5° |
| C4 | C3 | H6 | 109.6° | 109.5° |
| C3 | C4 | H9 | 109.4° | 109.5° |
| C3 | C4 | H8 | 109.4° | 109.5° |
| C9 | C1 | C2 | 109.0° | 109.5° |
| C9 | C1 | CB | 104.5° | 109.5° |
| C9 | C1 | C6 | 108.8° | 109.5° |
| C1 | C9 | H14 | 109.3° | 109.5° |
| C1 | C9 | H15 | 109.3° | 109.4° |
| C7 | C5 | C4 | 109.3° | 109.5° |
| C7 | C5 | C6 | 109.2° | 109.5° |
| C7 | C5 | H1 | 109.6° | 109.5° |
| C5 | C7 | H12 | 109.5° | 109.5° |
| C5 | C7 | H13 | 109.5° | 109.5° |
| C2 | C1 | CB | 109.8° | 109.4° |
| C2 | C1 | C6 | 108.8° | 109.5° |
| C1 | C2 | H3 | 109.3° | 109.5° |
| C1 | C2 | H4 | 109.3° | 109.5° |
| C4 | C5 | C6 | 109.6° | 109.5° |
| C5 | C4 | H9 | 109.5° | 109.5° |
| C5 | C4 | H8 | 109.4° | 109.4° |
| C4 | C5 | H1 | 109.6° | 109.5° |
| CB | C1 | C6 | 115.7° | 109.4° |
| C1 | CB | CA | 124.9° | 109.4° |
| C1 | CB | HB2 | 105.5° | 109.5° |
| C1 | CB | HB3 | 105.5° | 109.5° |
| C1 | C6 | C5 | 110.1° | 109.4° |
| C1 | C6 | H11 | 109.3° | 109.5° |
| C1 | C6 | H10 | 109.3° | 109.5° |
| CB | CA | N | 111.0° | 109.5° |
| CB | CA | C | 109.1° | 109.4° |
| CB | CA | HA | 108.3° | 109.5° |
| CA | CB | HB2 | 105.5° | 109.5° |
| CA | CB | HB3 | 105.5° | 109.4° |
| C6 | C5 | H1 | 109.5° | 109.5° |
| C5 | C6 | H11 | 109.3° | 109.5° |
| C5 | C6 | H10 | 109.3° | 109.5° |
| N | CA | C | 111.9° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| N | CA | HA | 108.7° | 109.5° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | C | O | 119.8° | 120.0° |
| C | CA | HA | 107.8° | 109.5° |
| CA | C | OXT | 120.1° | 120.0° |
| O | C | OXT | 120.1° | 120.0° |
| H3 | C2 | H4 | 109.5° | 109.5° |
| H9 | C4 | H8 | 109.4° | 109.5° |
| H11 | C6 | H10 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| H14 | C9 | H15 | 109.5° | 109.5° |
| H12 | C7 | H13 | 109.5° | 109.4° |
| H16 | C10 | H17 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C10 | C3 | H16 | 120.0° | 120.0° |
| C8 | C10 | C3 | H17 | 120.0° | 120.0° |
| C10 | C8 | C9 | C7 | 120.6° | 120.0° |
| C10 | C8 | C9 | H18 | 119.6° | 120.0° |
| C10 | C8 | C7 | H18 | 120.2° | 120.0° |
| C8 | C10 | C3 | C2 | 60.5° | 60.0° |
| C8 | C10 | C3 | C4 | 59.4° | 60.0° |
| C10 | C8 | C9 | C1 | 60.4° | 60.0° |
| C10 | C8 | C7 | C5 | 59.5° | 60.0° |
| C8 | C10 | C3 | H6 | 179.6° | 180.0° |
| C10 | C8 | C9 | H14 | 179.5° | 60.0° |
| C10 | C8 | C9 | H15 | 59.7° | 180.0° |
| C10 | C8 | C7 | H12 | 60.5° | 180.0° |
| C10 | C8 | C7 | H13 | 179.5° | 60.0° |
| C8 | C10 | H16 | H17 | 120.0° | 120.0° |
| C3 | C10 | C8 | C9 | 60.9° | 60.0° |
| C3 | C10 | C8 | C7 | 59.3° | 60.0° |
| C10 | C3 | C2 | C4 | 119.9° | 120.0° |
| C10 | C3 | C2 | H6 | 120.0° | 120.0° |
| C10 | C3 | C4 | H6 | 120.3° | 120.0° |
| C10 | C3 | C2 | C1 | 59.6° | 60.0° |
| C10 | C3 | C4 | C5 | 60.1° | 60.0° |
| C10 | C3 | C2 | H3 | 60.5° | 180.0° |
| C10 | C3 | C2 | H4 | 179.7° | 60.0° |
| C10 | C3 | C4 | H9 | 179.8° | 180.0° |
| C10 | C3 | C4 | H8 | 59.9° | 60.0° |
| C3 | C10 | C8 | H18 | 179.5° | 180.0° |
| C3 | C10 | H16 | H17 | 119.9° | 120.0° |
| C9 | C8 | C7 | H18 | 119.7° | 120.0° |
| C8 | C9 | C1 | H14 | 120.1° | 120.0° |
| C8 | C9 | C1 | H15 | 120.1° | 120.0° |
| C9 | C8 | C7 | C5 | 60.5° | 60.0° |
| C8 | C9 | C1 | C2 | 59.2° | 60.0° |
| C8 | C9 | C1 | CB | 176.5° | 180.0° |
| C8 | C9 | C1 | C6 | 59.3° | 60.0° |
| C8 | C9 | H14 | H15 | 119.7° | 120.0° |
| C9 | C8 | C7 | H12 | 179.5° | 60.0° |
| C9 | C8 | C7 | H13 | 59.4° | 180.0° |
| C9 | C8 | C10 | H16 | 59.1° | 180.0° |
| C9 | C8 | C10 | H17 | 179.1° | 60.0° |
| C7 | C8 | C9 | C1 | 60.3° | 60.0° |
| C8 | C7 | C5 | H12 | 120.0° | 120.1° |
| C8 | C7 | C5 | H13 | 120.0° | 120.0° |
| C8 | C7 | C5 | C4 | 59.7° | 59.9° |
| C8 | C7 | C5 | C6 | 60.2° | 60.0° |
| C8 | C7 | C5 | H1 | 179.9° | 180.0° |
| C7 | C8 | C9 | H14 | 59.9° | 180.0° |
| C7 | C8 | C9 | H15 | 179.7° | 60.0° |
| C8 | C7 | H12 | H13 | 120.0° | 119.9° |
| C7 | C8 | C10 | H16 | 179.3° | 60.0° |
| C7 | C8 | C10 | H17 | 60.7° | 180.0° |
| C2 | C3 | C4 | H6 | 120.0° | 120.0° |
| C3 | C2 | C1 | C9 | 58.6° | 60.0° |
| C3 | C2 | C1 | H3 | 120.1° | 120.0° |
| C3 | C2 | C1 | H4 | 120.1° | 120.0° |
| C2 | C3 | C4 | C5 | 59.7° | 60.0° |
| C3 | C2 | C1 | CB | 172.5° | 180.0° |
| C3 | C2 | C1 | C6 | 59.9° | 60.1° |
| C3 | C2 | H3 | H4 | 119.7° | 120.0° |
| C2 | C3 | C4 | H9 | 60.4° | 60.0° |
| C2 | C3 | C4 | H8 | 179.7° | 180.0° |
| C2 | C3 | C10 | H16 | 59.5° | 180.0° |
| C2 | C3 | C10 | H17 | 179.5° | 60.0° |
| C3 | C4 | C5 | C7 | 60.3° | 60.0° |
| C4 | C3 | C2 | C1 | 60.3° | 60.0° |
| C3 | C4 | C5 | H9 | 120.0° | 120.0° |
| C3 | C4 | C5 | H8 | 120.0° | 120.0° |
| C3 | C4 | C5 | C6 | 59.3° | 60.0° |
| C4 | C3 | C2 | H3 | 179.6° | 60.0° |
| C4 | C3 | C2 | H4 | 59.8° | 180.0° |
| C3 | C4 | H9 | H8 | 119.9° | 120.0° |
| C3 | C4 | C5 | H1 | 179.5° | 180.0° |
| C4 | C3 | C10 | H16 | 179.4° | 60.0° |
| C4 | C3 | C10 | H17 | 60.6° | 180.0° |
| C9 | C1 | C2 | CB | 114.0° | 120.0° |
| C9 | C1 | C2 | C6 | 118.4° | 120.0° |
| C9 | C1 | CB | C6 | 119.6° | 120.0° |
| C9 | C1 | CB | CA | 170.1° | 54.0° |
| C9 | C1 | C6 | C5 | 59.1° | 60.0° |
| C9 | C1 | C2 | H3 | 61.5° | 180.0° |
| C9 | C1 | C2 | H4 | 178.6° | 60.0° |
| C9 | C1 | C6 | H11 | 61.0° | 60.0° |
| C9 | C1 | C6 | H10 | 179.2° | 180.0° |
| C9 | C1 | CB | HB2 | 48.0° | 66.0° |
| C9 | C1 | CB | HB3 | 67.8° | 174.0° |
| C1 | C9 | H14 | H15 | 119.7° | 120.0° |
| C1 | C9 | C8 | H18 | 180.0° | 180.0° |
| C7 | C5 | C4 | C6 | 119.6° | 120.0° |
| C7 | C5 | C4 | H1 | 120.2° | 120.0° |
| C7 | C5 | C6 | C1 | 60.1° | 60.0° |
| C7 | C5 | C6 | H1 | 120.0° | 120.0° |
| C7 | C5 | C4 | H9 | 179.7° | 180.0° |
| C7 | C5 | C4 | H8 | 59.8° | 60.1° |
| C7 | C5 | C6 | H11 | 60.0° | 60.0° |
| C7 | C5 | C6 | H10 | 179.8° | 180.0° |
| C5 | C7 | C8 | H18 | 179.7° | 180.0° |
| C5 | C7 | H12 | H13 | 120.0° | 120.0° |
| C2 | C1 | CB | C6 | 123.6° | 120.0° |
| C2 | C1 | CB | CA | 73.1° | 174.0° |
| C2 | C1 | C6 | C5 | 59.5° | 60.0° |
| C1 | C2 | H3 | H4 | 119.7° | 120.0° |
| C1 | C2 | C3 | H6 | 179.7° | 180.0° |
| C2 | C1 | C6 | H11 | 179.6° | 180.0° |
| C2 | C1 | C6 | H10 | 60.6° | 59.9° |
| C2 | C1 | CB | HB2 | 164.8° | 54.0° |
| C2 | C1 | CB | HB3 | 49.0° | 66.0° |
| C2 | C1 | C9 | H14 | 179.2° | 60.0° |
| C2 | C1 | C9 | H15 | 61.0° | 180.0° |
| C4 | C5 | C6 | C1 | 59.6° | 60.0° |
| C4 | C5 | C6 | H1 | 120.3° | 120.0° |
| C5 | C4 | C3 | H6 | 179.6° | 180.0° |
| C5 | C4 | H9 | H8 | 119.9° | 119.9° |
| C4 | C5 | C6 | H11 | 179.7° | 180.0° |
| C4 | C5 | C6 | H10 | 60.5° | 60.0° |
| C4 | C5 | C7 | H12 | 60.3° | 180.0° |
| C4 | C5 | C7 | H13 | 179.6° | 60.0° |
| C1 | CB | CA | HB2 | 122.1° | 120.0° |
| C1 | CB | CA | HB3 | 122.1° | 120.0° |
| CB | C1 | C6 | C5 | 176.4° | 180.0° |
| C1 | CB | CA | N | 89.8° | 66.7° |
| C1 | CB | CA | C | 146.5° | 173.2° |
| CB | C1 | C2 | H3 | 52.4° | 60.0° |
| CB | C1 | C2 | H4 | 67.4° | 60.0° |
| CB | C1 | C6 | H11 | 56.3° | 60.0° |
| CB | C1 | C6 | H10 | 63.5° | 60.0° |
| C1 | CB | CA | HA | 29.4° | 53.3° |
| C1 | CB | HB2 | HB3 | 113.0° | 120.1° |
| CB | C1 | C9 | H14 | 63.4° | 60.0° |
| CB | C1 | C9 | H15 | 56.4° | 60.0° |
| C6 | C1 | CB | CA | 50.5° | 66.0° |
| C1 | C6 | C5 | H11 | 120.1° | 120.0° |
| C1 | C6 | C5 | H10 | 120.1° | 120.0° |
| C6 | C1 | C2 | H3 | 180.0° | 60.0° |
| C6 | C1 | C2 | H4 | 60.2° | 180.0° |
| C1 | C6 | C5 | H1 | 179.9° | 180.0° |
| C1 | C6 | H11 | H10 | 119.7° | 120.0° |
| C6 | C1 | CB | HB2 | 71.6° | 174.0° |
| C6 | C1 | CB | HB3 | 172.6° | 53.9° |
| C6 | C1 | C9 | H14 | 60.8° | 180.0° |
| C6 | C1 | C9 | H15 | 179.4° | 60.0° |
| CB | CA | N | C | 122.1° | 120.0° |
| CB | CA | N | HA | 119.0° | 120.0° |
| CB | CA | C | HA | 117.4° | 120.0° |
| CB | CA | C | O | 93.1° | 100.0° |
| CB | CA | N | H | 180.0° | 176.1° |
| CB | CA | C | OXT | 86.9° | 80.0° |
| CA | CB | HB2 | HB3 | 113.1° | 120.0° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| C6 | C5 | C4 | H9 | 60.7° | 60.0° |
| C6 | C5 | C4 | H8 | 179.4° | 180.0° |
| C5 | C6 | H11 | H10 | 119.7° | 120.0° |
| C6 | C5 | C7 | H12 | 179.8° | 60.0° |
| C6 | C5 | C7 | H13 | 59.8° | 180.0° |
| N | CA | C | HA | 119.5° | 120.0° |
| N | CA | C | O | 143.8° | 20.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | C | OXT | 36.3° | 160.0° |
| N | CA | CB | HB2 | 148.1° | 173.3° |
| N | CA | CB | HB3 | 32.3° | 53.3° |
| CA | C | O | OXT | 180.0° | 180.0° |
| C | CA | N | H | 57.9° | 63.9° |
| C | CA | CB | HB2 | 24.4° | 53.3° |
| C | CA | CB | HB3 | 91.4° | 66.8° |
| C | CA | N | H2 | 62.1° | 60.0° |
| CA | C | OXT | HXT | 180.0° | 179.9° |
| O | C | CA | HA | 24.3° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| H3 | C2 | C3 | H6 | 59.6° | 60.0° |
| H4 | C2 | C3 | H6 | 60.3° | 60.0° |
| H6 | C3 | C4 | H9 | 59.6° | 60.0° |
| H6 | C3 | C4 | H8 | 60.3° | 60.0° |
| H6 | C3 | C10 | H16 | 60.4° | 60.0° |
| H6 | C3 | C10 | H17 | 59.6° | 60.0° |
| H9 | C4 | C5 | H1 | 59.5° | 60.0° |
| H8 | C4 | C5 | H1 | 60.4° | 60.0° |
| H1 | C5 | C6 | H11 | 60.0° | 60.0° |
| H1 | C5 | C6 | H10 | 59.8° | 60.0° |
| H1 | C5 | C7 | H12 | 59.9° | 60.0° |
| H1 | C5 | C7 | H13 | 60.2° | 60.0° |
| H | N | CA | HA | 61.0° | 56.1° |
| HA | CA | C | OXT | 155.7° | 40.0° |
| HA | CA | CB | HB2 | 92.7° | 66.7° |
| HA | CA | CB | HB3 | 151.5° | 173.3° |
| HA | CA | N | H2 | 178.9° | 180.0° |
| H14 | C9 | C8 | H18 | 59.8° | 60.0° |
| H15 | C9 | C8 | H18 | 59.9° | 60.0° |
| H18 | C8 | C7 | H12 | 59.7° | 59.9° |
| H18 | C8 | C7 | H13 | 60.3° | 60.0° |
| H18 | C8 | C10 | H16 | 60.5° | 59.9° |
| H18 | C8 | C10 | H17 | 59.5° | 60.0° |
