RW6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | O2 | sing | 1.43Å | 1.42Å | |
| O2 | C8 | sing | 1.36Å | 1.36Å | |
| C8 | C9 | doub | 1.38Å | 1.36Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.43Å | Aromatic |
| C9 | C4 | sing | 1.40Å | 1.42Å | Aromatic |
| O1 | C2 | doub | 1.22Å | 1.24Å | |
| O3 | C7 | sing | 1.36Å | 1.36Å | |
| O3 | C11 | sing | 1.43Å | 1.42Å | |
| C7 | C6 | doub | 1.38Å | 1.36Å | Aromatic |
| C4 | C2 | sing | 1.47Å | 1.46Å | |
| C4 | C5 | doub | 1.41Å | 1.41Å | Aromatic |
| C2 | N1 | sing | 1.35Å | 1.38Å | |
| C6 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | N2 | sing | 1.36Å | 1.40Å | |
| N1 | C1 | sing | 1.36Å | 1.39Å | |
| N2 | C1 | doub | 1.30Å | 1.29Å | |
| C1 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | N3 | sing | 1.47Å | 1.47Å | |
| C13 | N3 | sing | 1.47Å | 1.47Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| N3 | C14 | sing | 1.47Å | 1.46Å | |
| C12 | C15 | sing | 1.51Å | 1.50Å | |
| C14 | C16 | sing | 1.52Å | 1.50Å | |
| C15 | C16 | doub | 1.35Å | 1.35Å | Aromatic |
| C15 | S1 | sing | 1.76Å | 1.73Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.42Å | Aromatic |
| C17 | C18 | doub | 1.33Å | 1.35Å | Aromatic |
| S1 | C18 | sing | 1.76Å | 1.71Å | Aromatic |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.08Å | 1.08Å | |
| C9 | H91 | sing | 1.08Å | 1.08Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | O2 | C8 | 117.7° | 117.0° |
| O2 | C10 | H103 | 109.5° | 109.5° |
| O2 | C10 | H102 | 109.5° | 109.4° |
| O2 | C10 | H101 | 109.5° | 109.5° |
| O2 | C8 | C9 | 126.4° | 119.8° |
| O2 | C8 | C7 | 113.2° | 119.8° |
| C9 | C8 | C7 | 120.4° | 120.4° |
| C8 | C9 | C4 | 119.7° | 119.5° |
| C8 | C9 | H91 | 120.1° | 120.2° |
| C8 | C7 | O3 | 113.5° | 119.7° |
| C8 | C7 | C6 | 120.4° | 120.7° |
| C9 | C4 | C2 | 122.2° | 121.8° |
| C9 | C4 | C5 | 120.0° | 120.2° |
| C4 | C9 | H91 | 120.2° | 120.2° |
| O1 | C2 | C4 | 124.4° | 121.3° |
| O1 | C2 | N1 | 119.5° | 121.3° |
| C7 | O3 | C11 | 117.9° | 117.0° |
| O3 | C7 | C6 | 126.1° | 119.7° |
| O3 | C11 | H112 | 109.5° | 109.5° |
| O3 | C11 | H113 | 109.5° | 109.5° |
| O3 | C11 | H111 | 109.5° | 109.5° |
| C7 | C6 | C5 | 120.6° | 119.7° |
| C7 | C6 | H61 | 119.7° | 120.1° |
| C2 | C4 | C5 | 117.8° | 118.0° |
| C4 | C2 | N1 | 116.1° | 117.4° |
| C4 | C5 | C6 | 118.9° | 119.5° |
| C4 | C5 | N2 | 122.1° | 119.0° |
| C2 | N1 | C1 | 122.2° | 120.7° |
| C2 | N1 | H11 | 118.9° | 119.7° |
| C6 | C5 | N2 | 118.9° | 121.5° |
| C5 | C6 | H61 | 119.7° | 120.2° |
| C5 | N2 | C1 | 118.2° | 121.6° |
| N1 | C1 | N2 | 123.5° | 123.3° |
| N1 | C1 | C3 | 118.6° | 118.4° |
| C1 | N1 | H11 | 118.9° | 119.7° |
| N2 | C1 | C3 | 117.7° | 118.4° |
| C1 | C3 | N3 | 116.3° | 109.5° |
| C1 | C3 | H32 | 107.7° | 109.5° |
| C1 | C3 | H31 | 107.7° | 109.4° |
| C3 | N3 | C13 | 113.9° | 111.0° |
| C3 | N3 | C14 | 110.5° | 111.0° |
| N3 | C3 | H32 | 107.7° | 109.5° |
| N3 | C3 | H31 | 107.7° | 109.5° |
| N3 | C13 | C12 | 110.6° | 109.1° |
| C13 | N3 | C14 | 113.4° | 111.3° |
| N3 | C13 | H131 | 109.2° | 109.6° |
| N3 | C13 | H132 | 109.2° | 109.6° |
| C13 | C12 | C15 | 109.4° | 108.1° |
| C12 | C13 | H131 | 109.2° | 109.5° |
| C12 | C13 | H132 | 109.2° | 109.5° |
| C13 | C12 | H122 | 109.5° | 109.8° |
| C13 | C12 | H121 | 109.5° | 109.8° |
| N3 | C14 | C16 | 111.4° | 108.7° |
| N3 | C14 | H142 | 109.0° | 109.6° |
| N3 | C14 | H141 | 109.0° | 109.8° |
| C12 | C15 | C16 | 123.9° | 123.9° |
| C12 | C15 | S1 | 124.7° | 126.0° |
| C15 | C12 | H122 | 109.5° | 109.7° |
| C15 | C12 | H121 | 109.5° | 109.7° |
| C14 | C16 | C15 | 121.6° | 122.1° |
| C14 | C16 | C17 | 125.3° | 124.3° |
| C16 | C14 | H142 | 109.0° | 109.6° |
| C16 | C14 | H141 | 109.0° | 109.6° |
| C16 | C15 | S1 | 111.4° | 110.0° |
| C15 | C16 | C17 | 113.0° | 113.6° |
| C15 | S1 | C18 | 91.2° | 91.0° |
| C16 | C17 | C18 | 111.8° | 115.7° |
| C16 | C17 | H171 | 124.1° | 122.1° |
| C17 | C18 | S1 | 112.7° | 109.6° |
| C18 | C17 | H171 | 124.1° | 122.2° |
| C17 | C18 | H181 | 123.6° | 125.2° |
| S1 | C18 | H181 | 123.7° | 125.2° |
| H131 | C13 | H132 | 109.5° | 109.6° |
| H142 | C14 | H141 | 109.5° | 109.6° |
| H122 | C12 | H121 | 109.5° | 109.8° |
| H32 | C3 | H31 | 109.5° | 109.4° |
| H103 | C10 | H102 | 109.5° | 109.5° |
| H103 | C10 | H101 | 109.4° | 109.5° |
| H102 | C10 | H101 | 109.5° | 109.4° |
| H112 | C11 | H113 | 109.4° | 109.5° |
| H112 | C11 | H111 | 109.5° | 109.5° |
| H113 | C11 | H111 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | O2 | C8 | C9 | 13.1° | 0.0° |
| C10 | O2 | C8 | C7 | 167.2° | 179.8° |
| O2 | C10 | H103 | H102 | 120.0° | 120.0° |
| O2 | C10 | H103 | H101 | 120.0° | 120.0° |
| O2 | C10 | H102 | H101 | 120.0° | 120.0° |
| O2 | C8 | C9 | C7 | 179.6° | 179.8° |
| O2 | C8 | C9 | C4 | 180.0° | 179.8° |
| O2 | C8 | C7 | O3 | 0.4° | 0.2° |
| O2 | C8 | C7 | C6 | 179.5° | 179.7° |
| O2 | C8 | C9 | H91 | 0.0° | 0.2° |
| C8 | O2 | C10 | H103 | 180.0° | 60.0° |
| C8 | O2 | C10 | H102 | 60.0° | 60.0° |
| C8 | O2 | C10 | H101 | 60.0° | 179.9° |
| C8 | C9 | C4 | H91 | 180.0° | 180.0° |
| C9 | C8 | C7 | O3 | 179.9° | 180.0° |
| C9 | C8 | C7 | C6 | 0.8° | 0.0° |
| C8 | C9 | C4 | C2 | 179.9° | 180.0° |
| C8 | C9 | C4 | C5 | 0.1° | 0.0° |
| C7 | C8 | C9 | C4 | 0.3° | 0.0° |
| C8 | C7 | O3 | C6 | 179.0° | 180.0° |
| C8 | C7 | O3 | C11 | 177.2° | 180.0° |
| C8 | C7 | C6 | C5 | 0.8° | 0.0° |
| C8 | C7 | C6 | H61 | 179.2° | 180.0° |
| C7 | C8 | C9 | H91 | 179.7° | 180.0° |
| C9 | C4 | C2 | O1 | 0.4° | 0.1° |
| C9 | C4 | C2 | C5 | 179.9° | 179.9° |
| C9 | C4 | C2 | N1 | 179.0° | 180.0° |
| C9 | C4 | C5 | C6 | 0.1° | 0.0° |
| C9 | C4 | C5 | N2 | 179.9° | 180.0° |
| O1 | C2 | C4 | N1 | 178.6° | 179.9° |
| O1 | C2 | C4 | C5 | 179.5° | 180.0° |
| O1 | C2 | N1 | C1 | 178.2° | 180.0° |
| O1 | C2 | N1 | H11 | 1.8° | 0.1° |
| O3 | C7 | C6 | C5 | 179.8° | 180.0° |
| O3 | C7 | C6 | H61 | 0.2° | 0.1° |
| C7 | O3 | C11 | H112 | 180.0° | 60.0° |
| C7 | O3 | C11 | H113 | 60.0° | 60.0° |
| C7 | O3 | C11 | H111 | 60.0° | 180.0° |
| C11 | O3 | C7 | C6 | 1.8° | 0.0° |
| O3 | C11 | H112 | H113 | 120.0° | 120.0° |
| O3 | C11 | H112 | H111 | 120.0° | 120.0° |
| O3 | C11 | H113 | H111 | 120.0° | 120.0° |
| C7 | C6 | C5 | C4 | 0.4° | 0.0° |
| C7 | C6 | C5 | H61 | 180.0° | 179.9° |
| C7 | C6 | C5 | N2 | 179.6° | 180.0° |
| C2 | C4 | C5 | C6 | 179.9° | 180.0° |
| C2 | C4 | C5 | N2 | 0.0° | 0.0° |
| C4 | C2 | N1 | C1 | 3.1° | 0.0° |
| C2 | C4 | C9 | H91 | 0.1° | 0.0° |
| C4 | C2 | N1 | H11 | 176.9° | 180.0° |
| C5 | C4 | C2 | N1 | 0.9° | 0.0° |
| C4 | C5 | C6 | N2 | 180.0° | 180.0° |
| C4 | C5 | N2 | C1 | 1.4° | 0.0° |
| C4 | C5 | C6 | H61 | 179.6° | 179.9° |
| C5 | C4 | C9 | H91 | 179.9° | 180.0° |
| C2 | N1 | C1 | H11 | 180.0° | 180.0° |
| C2 | N1 | C1 | N2 | 4.7° | 0.0° |
| C2 | N1 | C1 | C3 | 179.1° | 179.9° |
| C6 | C5 | N2 | C1 | 178.6° | 180.0° |
| C5 | N2 | C1 | N1 | 3.7° | 0.0° |
| C5 | N2 | C1 | C3 | 178.1° | 179.9° |
| N2 | C5 | C6 | H61 | 0.4° | 0.0° |
| N1 | C1 | N2 | C3 | 174.4° | 179.9° |
| N1 | C1 | C3 | N3 | 83.2° | 180.0° |
| N1 | C1 | C3 | H32 | 37.7° | 59.9° |
| N1 | C1 | C3 | H31 | 155.8° | 60.0° |
| N2 | C1 | C3 | N3 | 102.1° | 0.0° |
| N2 | C1 | C3 | H32 | 136.9° | 120.0° |
| N2 | C1 | C3 | H31 | 18.9° | 120.0° |
| N2 | C1 | N1 | H11 | 175.3° | 180.0° |
| C1 | C3 | N3 | H32 | 121.0° | 120.0° |
| C1 | C3 | N3 | H31 | 121.0° | 120.0° |
| C1 | C3 | N3 | C13 | 54.1° | 170.0° |
| C1 | C3 | N3 | C14 | 74.9° | 65.7° |
| C1 | C3 | H32 | H31 | 116.9° | 120.0° |
| C3 | C1 | N1 | H11 | 0.9° | 0.0° |
| C3 | N3 | C13 | C14 | 127.5° | 124.2° |
| C3 | N3 | C13 | C12 | 167.8° | 163.9° |
| C3 | N3 | C14 | C16 | 174.7° | 176.9° |
| C3 | N3 | C13 | H131 | 72.1° | 44.1° |
| C3 | N3 | C13 | H132 | 47.6° | 76.2° |
| C3 | N3 | C14 | H142 | 65.0° | 57.1° |
| C3 | N3 | C14 | H141 | 54.5° | 63.3° |
| N3 | C3 | H32 | H31 | 116.9° | 120.0° |
| N3 | C13 | C12 | H131 | 120.2° | 119.9° |
| N3 | C13 | C12 | H132 | 120.2° | 119.9° |
| N3 | C13 | C12 | C15 | 47.4° | 48.8° |
| C13 | N3 | C14 | C16 | 45.5° | 52.6° |
| N3 | C13 | H131 | H132 | 119.5° | 120.2° |
| C13 | N3 | C14 | H142 | 165.8° | 67.1° |
| C13 | N3 | C14 | H141 | 74.8° | 172.5° |
| N3 | C13 | C12 | H122 | 167.4° | 168.4° |
| N3 | C13 | C12 | H121 | 72.6° | 70.8° |
| C13 | N3 | C3 | H32 | 66.8° | 70.0° |
| C13 | N3 | C3 | H31 | 175.1° | 50.0° |
| C12 | C13 | N3 | C14 | 64.7° | 71.9° |
| C13 | C12 | C15 | H122 | 120.0° | 119.6° |
| C13 | C12 | C15 | H121 | 120.0° | 119.6° |
| C13 | C12 | C15 | C16 | 17.6° | 15.5° |
| C13 | C12 | C15 | S1 | 161.1° | 164.5° |
| C12 | C13 | H131 | H132 | 119.5° | 120.1° |
| C13 | C12 | H122 | H121 | 120.0° | 120.8° |
| N3 | C14 | C16 | H142 | 120.3° | 119.8° |
| N3 | C14 | C16 | H141 | 120.3° | 120.0° |
| N3 | C14 | C16 | C15 | 13.7° | 17.4° |
| N3 | C14 | C16 | C17 | 168.9° | 162.7° |
| C14 | N3 | C13 | H131 | 55.5° | 168.3° |
| C14 | N3 | C13 | H132 | 175.2° | 48.0° |
| N3 | C14 | H142 | H141 | 119.1° | 120.5° |
| C14 | N3 | C3 | H32 | 164.1° | 54.4° |
| C14 | N3 | C3 | H31 | 46.1° | 174.4° |
| C12 | C15 | C16 | C14 | 0.8° | 0.1° |
| C12 | C15 | C16 | S1 | 178.9° | 180.0° |
| C12 | C15 | C16 | C17 | 178.5° | 179.9° |
| C12 | C15 | S1 | C18 | 178.3° | 179.9° |
| C15 | C12 | C13 | H131 | 72.8° | 168.7° |
| C15 | C12 | C13 | H132 | 167.5° | 71.1° |
| C15 | C12 | H122 | H121 | 120.0° | 120.6° |
| C14 | C16 | C15 | C17 | 177.7° | 180.0° |
| C14 | C16 | C15 | S1 | 178.1° | 179.9° |
| C14 | C16 | C17 | C18 | 177.5° | 179.9° |
| C16 | C14 | H142 | H141 | 119.1° | 120.3° |
| C14 | C16 | C17 | H171 | 2.5° | 0.1° |
| C15 | C16 | C17 | C18 | 0.1° | 0.1° |
| C16 | C15 | S1 | C18 | 0.6° | 0.1° |
| C15 | C16 | C14 | H142 | 133.9° | 102.4° |
| C15 | C16 | C14 | H141 | 106.6° | 137.3° |
| C15 | C16 | C17 | H171 | 179.8° | 179.9° |
| C16 | C15 | C12 | H122 | 137.6° | 135.2° |
| C16 | C15 | C12 | H121 | 102.4° | 104.1° |
| S1 | C15 | C16 | C17 | 0.4° | 0.1° |
| C15 | S1 | C18 | C17 | 0.7° | 0.0° |
| C15 | S1 | C18 | H181 | 179.4° | 180.0° |
| S1 | C15 | C12 | H122 | 41.1° | 44.8° |
| S1 | C15 | C12 | H121 | 78.9° | 75.9° |
| C16 | C17 | C18 | H171 | 180.0° | 180.0° |
| C16 | C17 | C18 | S1 | 0.6° | 0.1° |
| C17 | C16 | C14 | H142 | 48.6° | 77.6° |
| C17 | C16 | C14 | H141 | 70.8° | 42.7° |
| C16 | C17 | C18 | H181 | 179.4° | 180.0° |
| C17 | C18 | S1 | H181 | 180.0° | 180.0° |
| S1 | C18 | C17 | H171 | 179.4° | 179.9° |
| H131 | C13 | C12 | H122 | 47.2° | 71.6° |
| H131 | C13 | C12 | H121 | 167.2° | 49.2° |
| H132 | C13 | C12 | H122 | 72.5° | 48.5° |
| H132 | C13 | C12 | H121 | 47.5° | 169.3° |
| H171 | C17 | C18 | H181 | 0.6° | 0.0° |
| H103 | C10 | H102 | H101 | 119.9° | 120.0° |
| H112 | C11 | H113 | H111 | 120.0° | 120.0° |
