WRT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| TB | N17 | sing | 2.46Å | 2.28Å | |
| TB | O27 | sing | 2.53Å | 2.37Å | |
| C1 | O1 | sing | 1.42Å | 1.43Å | |
| C1 | C2 | sing | 1.52Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | N06 | sing | 1.53Å | 1.48Å | |
| C10 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C30 | sing | 1.51Å | 1.52Å | |
| C10 | N17 | sing | 1.34Å | 1.35Å | Aromatic |
| C11 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C29 | sing | 1.51Å | 1.52Å | |
| C11 | N23 | sing | 1.34Å | 1.35Å | Aromatic |
| C01 | C03 | sing | 1.53Å | 1.52Å | |
| C01 | N02 | sing | 1.49Å | 1.48Å | |
| C03 | N09 | sing | 1.50Å | 1.50Å | |
| C04 | C05 | sing | 1.51Å | 1.54Å | |
| C04 | N02 | sing | 1.49Å | 1.49Å | |
| C05 | N06 | sing | 1.49Å | 1.48Å | |
| C07 | C08 | sing | 1.52Å | 1.52Å | |
| C07 | N06 | sing | 1.50Å | 1.47Å | |
| C08 | N09 | sing | 1.50Å | 1.49Å | |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C18 | sing | 1.52Å | 1.50Å | |
| C16 | N17 | doub | 1.34Å | 1.35Å | Aromatic |
| C18 | O27 | sing | 1.25Å | 1.25Å | |
| C18 | O28 | doub | 1.26Å | 1.25Å | |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C24 | sing | 1.52Å | 1.50Å | |
| C22 | N23 | doub | 1.34Å | 1.35Å | Aromatic |
| C24 | O25 | doub | 1.26Å | 1.25Å | |
| C24 | O26 | sing | 1.25Å | 1.25Å | |
| C29 | N09 | sing | 1.49Å | 1.50Å | |
| C30 | N02 | sing | 1.48Å | 1.49Å | |
| C1 | H12 | sing | 0.98Å | 1.10Å | |
| C1 | H11 | sing | 0.98Å | 1.10Å | |
| O1 | H13 | sing | 0.85Å | 0.95Å | |
| C2 | H21 | sing | 0.98Å | 1.10Å | |
| C2 | H2 | sing | 0.98Å | 1.10Å | |
| C21 | H211 | sing | 0.93Å | 1.08Å | |
| C3 | H3 | sing | 0.98Å | 1.10Å | |
| C3 | H32 | sing | 0.98Å | 1.10Å | |
| C01 | H011 | sing | 0.98Å | 1.10Å | |
| C01 | H012 | sing | 0.98Å | 1.10Å | |
| C03 | H031 | sing | 0.98Å | 1.10Å | |
| C03 | H032 | sing | 0.98Å | 1.10Å | |
| C04 | H041 | sing | 0.98Å | 1.10Å | |
| C04 | H042 | sing | 0.98Å | 1.10Å | |
| C05 | H052 | sing | 0.97Å | 1.10Å | |
| C05 | H051 | sing | 0.98Å | 1.10Å | |
| C07 | H071 | sing | 0.98Å | 1.10Å | |
| C07 | H072 | sing | 0.97Å | 1.10Å | |
| C08 | H082 | sing | 0.98Å | 1.10Å | |
| C08 | H081 | sing | 0.98Å | 1.10Å | |
| C13 | H131 | sing | 0.93Å | 1.08Å | |
| C14 | H141 | sing | 0.95Å | 1.08Å | |
| C15 | H151 | sing | 0.93Å | 1.08Å | |
| C19 | H191 | sing | 0.93Å | 1.08Å | |
| C20 | H201 | sing | 0.95Å | 1.08Å | |
| C29 | H291 | sing | 0.99Å | 1.10Å | |
| C29 | H292 | sing | 0.99Å | 1.10Å | |
| C30 | H301 | sing | 0.99Å | 1.10Å | |
| C30 | H302 | sing | 0.99Å | 1.10Å | |
| N06 | TB | sing | 3.57Å | 2.66Å | |
| N02 | TB | sing | 2.86Å | 3.32Å | |
| N23 | TB | sing | 2.39Å | 2.57Å | |
| O26 | TB | sing | 2.57Å | 2.43Å | |
| N09 | TB | sing | 2.64Å | 3.61Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N17 | TB | O27 | 73.4° | 65.5° |
| TB | N17 | C10 | 125.8° | 121.4° |
| TB | N17 | C16 | 112.9° | 119.8° |
| N17 | TB | N06 | 85.9° | 126.4° |
| N17 | TB | N02 | 63.6° | 65.8° |
| N17 | TB | N23 | 127.2° | 118.2° |
| N17 | TB | O26 | 71.4° | 133.1° |
| N17 | TB | N09 | 128.3° | 91.5° |
| TB | O27 | C18 | 114.6° | 120.1° |
| O27 | TB | N06 | 97.6° | 159.6° |
| O27 | TB | N02 | 132.9° | 128.7° |
| O27 | TB | N23 | 134.4° | 61.9° |
| O27 | TB | O26 | 89.5° | 80.9° |
| O27 | TB | N09 | 144.5° | 99.6° |
| O1 | C1 | C2 | 110.1° | 111.6° |
| O1 | C1 | H12 | 109.3° | 109.2° |
| O1 | C1 | H11 | 109.3° | 109.0° |
| C1 | O1 | H13 | 109.5° | 108.9° |
| C1 | C2 | C3 | 111.1° | 116.8° |
| C2 | C1 | H12 | 109.3° | 109.9° |
| C2 | C1 | H11 | 109.3° | 109.2° |
| C1 | C2 | H21 | 109.1° | 108.3° |
| C1 | C2 | H2 | 109.1° | 108.2° |
| C2 | C3 | N06 | 114.4° | 112.9° |
| C3 | C2 | H21 | 109.1° | 108.0° |
| C3 | C2 | H2 | 109.0° | 108.0° |
| C2 | C3 | H3 | 108.2° | 107.8° |
| C2 | C3 | H32 | 108.2° | 107.0° |
| C20 | C21 | C22 | 119.0° | 118.5° |
| C21 | C20 | C19 | 119.1° | 119.3° |
| C20 | C21 | H211 | 120.5° | 120.5° |
| C21 | C20 | H201 | 120.4° | 120.4° |
| C21 | C22 | C24 | 120.2° | 121.4° |
| C21 | C22 | N23 | 120.7° | 122.4° |
| C22 | C21 | H211 | 120.5° | 121.0° |
| C3 | N06 | C05 | 111.8° | 111.6° |
| C3 | N06 | C07 | 111.6° | 111.7° |
| N06 | C3 | H3 | 108.2° | 111.3° |
| N06 | C3 | H32 | 108.2° | 110.9° |
| C3 | N06 | TB | 92.9° | 141.2° |
| C13 | C10 | C30 | 117.8° | 121.7° |
| C13 | C10 | N17 | 119.5° | 122.0° |
| C10 | C13 | C14 | 120.2° | 119.1° |
| C10 | C13 | H131 | 119.9° | 120.3° |
| C30 | C10 | N17 | 122.6° | 116.3° |
| C10 | C30 | N02 | 116.8° | 114.9° |
| C10 | C30 | H301 | 107.6° | 107.8° |
| C10 | C30 | H302 | 107.6° | 109.1° |
| C10 | N17 | C16 | 121.2° | 118.7° |
| C19 | C11 | C29 | 118.4° | 121.2° |
| C19 | C11 | N23 | 119.3° | 121.9° |
| C11 | C19 | C20 | 120.3° | 119.2° |
| C11 | C19 | H191 | 119.8° | 120.3° |
| C29 | C11 | N23 | 122.3° | 116.9° |
| C11 | C29 | N09 | 120.5° | 116.3° |
| C11 | C29 | H291 | 106.6° | 107.3° |
| C11 | C29 | H292 | 106.6° | 108.9° |
| C11 | N23 | C22 | 121.6° | 118.7° |
| C11 | N23 | TB | 124.9° | 119.5° |
| C03 | C01 | N02 | 116.4° | 115.1° |
| C01 | C03 | N09 | 115.4° | 119.4° |
| C03 | C01 | H011 | 107.7° | 108.0° |
| C03 | C01 | H012 | 107.7° | 107.5° |
| C01 | C03 | H031 | 108.0° | 107.3° |
| C01 | C03 | H032 | 108.0° | 106.3° |
| C01 | N02 | C04 | 118.3° | 115.0° |
| C01 | N02 | C30 | 111.8° | 114.7° |
| N02 | C01 | H011 | 107.7° | 109.3° |
| N02 | C01 | H012 | 107.7° | 109.9° |
| C01 | N02 | TB | 46.3° | 109.8° |
| C03 | N09 | C08 | 118.4° | 115.6° |
| C03 | N09 | C29 | 118.6° | 110.6° |
| N09 | C03 | H031 | 108.0° | 108.0° |
| N09 | C03 | H032 | 108.0° | 108.5° |
| C03 | N09 | TB | 77.2° | 106.1° |
| C05 | C04 | N02 | 121.6° | 113.3° |
| C04 | C05 | N06 | 115.6° | 114.5° |
| C05 | C04 | H041 | 106.3° | 108.2° |
| C05 | C04 | H042 | 106.4° | 108.2° |
| C04 | C05 | H052 | 107.9° | 108.6° |
| C04 | C05 | H051 | 107.9° | 107.3° |
| C04 | N02 | C30 | 112.7° | 113.4° |
| N02 | C04 | H041 | 106.4° | 110.3° |
| N02 | C04 | H042 | 106.3° | 109.8° |
| C04 | N02 | TB | 97.4° | 105.0° |
| C05 | N06 | C07 | 112.8° | 123.9° |
| N06 | C05 | H052 | 107.9° | 109.1° |
| N06 | C05 | H051 | 107.9° | 110.3° |
| C05 | N06 | TB | 105.4° | 62.2° |
| C08 | C07 | N06 | 108.3° | 116.8° |
| C07 | C08 | N09 | 118.1° | 115.9° |
| C08 | C07 | H071 | 109.8° | 106.7° |
| C08 | C07 | H072 | 109.7° | 108.5° |
| C07 | C08 | H082 | 107.3° | 107.5° |
| C07 | C08 | H081 | 107.3° | 107.9° |
| N06 | C07 | H071 | 109.7° | 109.5° |
| N06 | C07 | H072 | 109.8° | 108.3° |
| C07 | N06 | TB | 120.7° | 61.7° |
| C08 | N09 | C29 | 109.4° | 114.3° |
| N09 | C08 | H082 | 107.2° | 109.0° |
| N09 | C08 | H081 | 107.3° | 109.7° |
| C08 | N09 | TB | 73.0° | 106.8° |
| C13 | C14 | C15 | 119.1° | 119.3° |
| C14 | C13 | H131 | 119.9° | 120.6° |
| C13 | C14 | H141 | 120.4° | 120.4° |
| C14 | C15 | C16 | 119.3° | 118.6° |
| C15 | C14 | H141 | 120.4° | 120.3° |
| C14 | C15 | H151 | 120.4° | 120.4° |
| C15 | C16 | C18 | 119.3° | 121.3° |
| C15 | C16 | N17 | 120.6° | 122.3° |
| C16 | C15 | H151 | 120.4° | 120.9° |
| C18 | C16 | N17 | 120.0° | 116.5° |
| C16 | C18 | O27 | 118.7° | 117.5° |
| C16 | C18 | O28 | 119.2° | 118.9° |
| O27 | C18 | O28 | 122.1° | 123.6° |
| C20 | C19 | H191 | 119.9° | 120.5° |
| C19 | C20 | H201 | 120.4° | 120.4° |
| C24 | C22 | N23 | 119.1° | 116.2° |
| C22 | C24 | O25 | 118.7° | 119.1° |
| C22 | C24 | O26 | 118.4° | 116.9° |
| C22 | N23 | TB | 113.5° | 121.2° |
| O25 | C24 | O26 | 122.9° | 124.0° |
| C24 | O26 | TB | 122.2° | 117.2° |
| N09 | C29 | H291 | 106.7° | 110.3° |
| N09 | C29 | H292 | 106.6° | 109.1° |
| C29 | N09 | TB | 82.6° | 102.1° |
| N02 | C30 | H301 | 107.6° | 109.7° |
| N02 | C30 | H302 | 107.6° | 108.9° |
| C30 | N02 | TB | 86.4° | 96.8° |
| H12 | C1 | H11 | 109.5° | 107.8° |
| H21 | C2 | H2 | 109.5° | 107.2° |
| H3 | C3 | H32 | 109.5° | 106.7° |
| H011 | C01 | H012 | 109.5° | 106.7° |
| H031 | C03 | H032 | 109.5° | 106.6° |
| H041 | C04 | H042 | 109.5° | 106.9° |
| H052 | C05 | H051 | 109.5° | 106.7° |
| H071 | C07 | H072 | 109.5° | 106.5° |
| H082 | C08 | H081 | 109.5° | 106.4° |
| H291 | C29 | H292 | 109.4° | 104.3° |
| H301 | C30 | H302 | 109.4° | 106.1° |
| N06 | TB | N02 | 62.4° | 60.7° |
| N06 | TB | N23 | 121.6° | 98.4° |
| N06 | TB | O26 | 153.2° | 96.3° |
| N06 | TB | N09 | 61.9° | 65.9° |
| N02 | TB | N23 | 88.9° | 135.4° |
| N02 | TB | O26 | 94.1° | 147.8° |
| N02 | TB | N09 | 65.7° | 66.9° |
| N23 | TB | O26 | 66.5° | 65.4° |
| N23 | TB | N09 | 60.0° | 68.6° |
| O26 | TB | N09 | 122.2° | 127.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N17 | TB | O27 | N06 | 83.4° | 130.0° |
| N17 | TB | O27 | N02 | 24.4° | 19.2° |
| N17 | TB | O27 | N23 | 126.3° | 146.5° |
| N17 | TB | O27 | O26 | 70.7° | 146.6° |
| N17 | TB | O27 | N09 | 134.1° | 87.2° |
| N17 | TB | N06 | C3 | 95.7° | 148.0° |
| TB | N17 | C10 | C13 | 173.8° | 175.6° |
| TB | N17 | C10 | C30 | 4.4° | 4.2° |
| TB | N17 | C10 | C16 | 175.4° | 176.0° |
| N17 | TB | N23 | C11 | 137.3° | 56.5° |
| N17 | TB | N02 | C01 | 160.7° | 84.8° |
| N17 | TB | N09 | C03 | 29.5° | 28.1° |
| N17 | TB | N02 | C04 | 76.8° | 151.1° |
| N17 | TB | N06 | C05 | 17.8° | 57.5° |
| N17 | TB | N06 | C07 | 147.0° | 122.0° |
| N17 | TB | N09 | C08 | 95.9° | 151.9° |
| TB | N17 | C16 | C15 | 174.8° | 175.5° |
| TB | N17 | C16 | C18 | 5.1° | 3.9° |
| N17 | TB | O27 | C18 | 2.4° | 7.4° |
| N17 | TB | N23 | C22 | 42.7° | 114.9° |
| N17 | TB | O26 | C24 | 152.1° | 90.8° |
| N17 | TB | N09 | C29 | 151.1° | 87.8° |
| N17 | TB | N02 | C30 | 35.7° | 34.6° |
| N17 | TB | N06 | N02 | 62.2° | 3.2° |
| N17 | TB | N06 | N23 | 131.9° | 134.7° |
| N17 | TB | N06 | O26 | 31.5° | 159.3° |
| N17 | TB | N06 | N09 | 138.0° | 72.8° |
| N17 | TB | N02 | N23 | 133.2° | 106.4° |
| N17 | TB | N02 | O26 | 66.9° | 133.8° |
| N17 | TB | N02 | N09 | 169.4° | 102.9° |
| N17 | TB | N23 | O26 | 39.9° | 127.4° |
| N17 | TB | N23 | N09 | 117.4° | 79.7° |
| N17 | TB | O26 | N09 | 124.1° | 138.6° |
| O27 | TB | N06 | C3 | 23.1° | 92.0° |
| O27 | TB | N17 | C10 | 177.3° | 178.6° |
| O27 | TB | N23 | C11 | 118.8° | 91.2° |
| O27 | TB | N02 | C01 | 173.1° | 65.6° |
| O27 | TB | N09 | C03 | 148.3° | 93.4° |
| O27 | TB | N02 | C04 | 50.5° | 170.2° |
| O27 | TB | N06 | C05 | 90.4° | 177.6° |
| O27 | TB | N06 | C07 | 140.4° | 2.0° |
| O27 | TB | N09 | C08 | 22.9° | 142.8° |
| TB | O27 | C18 | C16 | 5.8° | 8.3° |
| O27 | TB | N17 | C16 | 1.6° | 5.5° |
| TB | O27 | C18 | O28 | 173.2° | 171.5° |
| O27 | TB | N23 | C22 | 61.3° | 80.2° |
| O27 | TB | O26 | C24 | 135.2° | 47.4° |
| O27 | TB | N09 | C29 | 90.1° | 22.5° |
| O27 | TB | N02 | C30 | 61.9° | 53.8° |
| O27 | TB | N06 | N02 | 134.9° | 123.2° |
| O27 | TB | N06 | N23 | 155.5° | 14.7° |
| O27 | TB | N06 | O26 | 104.2° | 80.6° |
| O27 | TB | N06 | N09 | 149.4° | 47.2° |
| O27 | TB | N02 | N23 | 159.5° | 87.2° |
| O27 | TB | N02 | O26 | 93.1° | 153.0° |
| O27 | TB | N02 | N09 | 143.2° | 83.7° |
| O27 | TB | N23 | O26 | 64.0° | 92.7° |
| O27 | TB | N23 | N09 | 138.7° | 114.4° |
| O27 | TB | O26 | N09 | 163.3° | 95.2° |
| O1 | C1 | C2 | H12 | 120.1° | 121.3° |
| O1 | C1 | C2 | H11 | 120.1° | 120.6° |
| O1 | C1 | C2 | C3 | 75.6° | 85.3° |
| O1 | C1 | H12 | H11 | 119.8° | 118.3° |
| O1 | C1 | C2 | H21 | 44.7° | 152.6° |
| O1 | C1 | C2 | H2 | 164.1° | 36.7° |
| C1 | C2 | C3 | H21 | 120.3° | 122.3° |
| C1 | C2 | C3 | H2 | 120.3° | 122.2° |
| C1 | C2 | C3 | N06 | 115.5° | 75.0° |
| C2 | C1 | H12 | H11 | 119.7° | 118.9° |
| C2 | C1 | O1 | H13 | 180.0° | 180.0° |
| C1 | C2 | H21 | H2 | 119.2° | 116.6° |
| C1 | C2 | C3 | H3 | 5.2° | 48.4° |
| C1 | C2 | C3 | H32 | 123.7° | 162.8° |
| C2 | C3 | N06 | H3 | 120.7° | 121.4° |
| C2 | C3 | N06 | H32 | 120.7° | 120.0° |
| C2 | C3 | N06 | C05 | 59.6° | 112.6° |
| C2 | C3 | N06 | C07 | 67.8° | 104.0° |
| C3 | C2 | C1 | H12 | 164.3° | 36.0° |
| C3 | C2 | C1 | H11 | 44.5° | 154.0° |
| C3 | C2 | H21 | H2 | 119.2° | 116.1° |
| C2 | C3 | H3 | H32 | 117.7° | 114.6° |
| C2 | C3 | N06 | TB | 167.4° | 175.4° |
| C20 | C21 | C22 | H211 | 180.0° | 179.3° |
| C21 | C20 | C19 | C11 | 0.4° | 0.9° |
| C21 | C20 | C19 | H201 | 180.0° | 179.9° |
| C20 | C21 | C22 | C24 | 180.0° | 179.9° |
| C20 | C21 | C22 | N23 | 0.2° | 1.3° |
| C21 | C20 | C19 | H191 | 179.6° | 180.0° |
| C21 | C22 | N23 | C11 | 1.5° | 2.4° |
| C22 | C21 | C20 | C19 | 0.4° | 0.5° |
| C21 | C22 | C24 | N23 | 179.8° | 178.7° |
| C21 | C22 | C24 | O25 | 2.2° | 3.3° |
| C21 | C22 | C24 | O26 | 177.4° | 175.6° |
| C22 | C21 | C20 | H201 | 179.6° | 179.6° |
| C21 | C22 | N23 | TB | 178.5° | 169.0° |
| C3 | N06 | C05 | C04 | 172.4° | 128.6° |
| C3 | N06 | C05 | C07 | 126.7° | 138.1° |
| C3 | N06 | C05 | TB | 99.6° | 137.6° |
| C3 | N06 | C07 | C08 | 86.9° | 135.6° |
| C3 | N06 | C07 | TB | 107.3° | 137.6° |
| N06 | C3 | C2 | H21 | 124.2° | 162.8° |
| N06 | C3 | C2 | H2 | 4.7° | 47.2° |
| N06 | C3 | H3 | H32 | 117.8° | 121.1° |
| C3 | N06 | C05 | H052 | 51.5° | 109.4° |
| C3 | N06 | C05 | H051 | 66.7° | 7.5° |
| C3 | N06 | C07 | H071 | 153.3° | 14.2° |
| C3 | N06 | C07 | H072 | 32.9° | 101.7° |
| C3 | N06 | TB | N02 | 158.0° | 144.8° |
| C3 | N06 | TB | N23 | 132.4° | 77.3° |
| C3 | N06 | TB | O26 | 127.3° | 11.3° |
| C3 | N06 | TB | N09 | 126.3° | 139.2° |
| C13 | C10 | C30 | N17 | 178.2° | 179.9° |
| C10 | C13 | C14 | H131 | 180.0° | 179.9° |
| C10 | C13 | C14 | C15 | 0.6° | 0.1° |
| C13 | C10 | N17 | C16 | 1.6° | 0.4° |
| C13 | C10 | C30 | N02 | 135.6° | 133.6° |
| C10 | C13 | C14 | H141 | 179.4° | 180.0° |
| C13 | C10 | C30 | H301 | 14.5° | 103.8° |
| C13 | C10 | C30 | H302 | 103.3° | 10.9° |
| C10 | C30 | N02 | C01 | 87.3° | 62.7° |
| C10 | C30 | N02 | C04 | 48.8° | 162.4° |
| C30 | C10 | C13 | C14 | 179.6° | 180.0° |
| C30 | C10 | N17 | C16 | 179.8° | 179.8° |
| C10 | C30 | N02 | H301 | 121.1° | 121.5° |
| C10 | C30 | N02 | H302 | 121.1° | 122.7° |
| C30 | C10 | C13 | H131 | 0.4° | 0.0° |
| C10 | C30 | H301 | H302 | 116.6° | 116.8° |
| C10 | C30 | N02 | TB | 47.7° | 52.8° |
| N17 | C10 | C13 | C14 | 1.4° | 0.2° |
| C10 | N17 | C16 | C15 | 1.1° | 0.5° |
| C10 | N17 | C16 | C18 | 179.0° | 180.0° |
| N17 | C10 | C30 | N02 | 46.2° | 46.3° |
| N17 | C10 | C13 | H131 | 178.6° | 179.9° |
| N17 | C10 | C30 | H301 | 167.3° | 76.3° |
| N17 | C10 | C30 | H302 | 74.9° | 169.0° |
| C10 | N17 | TB | N06 | 83.5° | 20.9° |
| C10 | N17 | TB | N02 | 22.5° | 17.8° |
| C10 | N17 | TB | N23 | 43.7° | 147.9° |
| C10 | N17 | TB | O26 | 82.1° | 130.4° |
| C10 | N17 | TB | N09 | 34.7° | 81.6° |
| C19 | C11 | C29 | N23 | 177.4° | 177.1° |
| C11 | C19 | C20 | H191 | 180.0° | 179.1° |
| C19 | C11 | N23 | C22 | 2.2° | 2.9° |
| C19 | C11 | C29 | N09 | 125.8° | 155.4° |
| C11 | C19 | C20 | H201 | 179.7° | 179.1° |
| C19 | C11 | C29 | H291 | 4.2° | 80.7° |
| C19 | C11 | C29 | H292 | 112.7° | 31.7° |
| C19 | C11 | N23 | TB | 177.8° | 168.7° |
| C11 | C29 | N09 | C03 | 16.0° | 154.7° |
| C11 | C29 | N09 | C08 | 124.0° | 72.7° |
| C29 | C11 | C19 | C20 | 179.1° | 179.1° |
| C29 | C11 | N23 | C22 | 179.6° | 180.0° |
| C11 | C29 | N09 | H291 | 121.6° | 122.4° |
| C11 | C29 | N09 | H292 | 121.6° | 123.6° |
| C29 | C11 | C19 | H191 | 0.9° | 1.8° |
| C11 | C29 | H291 | H292 | 115.0° | 115.4° |
| C29 | C11 | N23 | TB | 0.4° | 8.4° |
| C11 | C29 | N09 | TB | 55.0° | 42.2° |
| N23 | C11 | C19 | C20 | 1.6° | 2.1° |
| C11 | N23 | C22 | C24 | 178.7° | 178.9° |
| C11 | N23 | C22 | TB | 180.0° | 171.4° |
| N23 | C11 | C29 | N09 | 56.9° | 27.5° |
| N23 | C11 | C19 | H191 | 178.4° | 178.8° |
| N23 | C11 | C29 | H291 | 178.4° | 96.5° |
| N23 | C11 | C29 | H292 | 64.7° | 151.2° |
| C11 | N23 | TB | N06 | 26.1° | 83.1° |
| C11 | N23 | TB | N02 | 82.3° | 26.7° |
| C11 | N23 | TB | O26 | 177.2° | 176.1° |
| C11 | N23 | TB | N09 | 19.9° | 23.2° |
| C03 | C01 | N02 | H011 | 121.0° | 121.7° |
| C03 | C01 | N02 | H012 | 121.0° | 121.6° |
| C01 | C03 | N09 | H031 | 120.9° | 122.9° |
| C01 | C03 | N09 | H032 | 120.8° | 121.9° |
| C03 | C01 | N02 | C04 | 71.3° | 120.2° |
| C01 | C03 | N09 | C08 | 62.2° | 61.9° |
| C01 | C03 | N09 | C29 | 74.4° | 166.2° |
| C03 | C01 | N02 | C30 | 155.3° | 105.6° |
| C03 | C01 | H011 | H012 | 116.9° | 115.4° |
| C01 | C03 | H031 | H032 | 117.3° | 113.6° |
| C03 | C01 | N02 | TB | 143.0° | 2.1° |
| C01 | C03 | N09 | TB | 0.2° | 56.2° |
| N02 | C01 | C03 | N09 | 137.2° | 40.4° |
| C01 | N02 | C04 | C05 | 45.8° | 112.2° |
| C01 | N02 | C04 | C30 | 133.0° | 134.8° |
| C01 | N02 | C04 | TB | 43.8° | 120.8° |
| C01 | N02 | C30 | TB | 39.6° | 115.5° |
| N02 | C01 | H011 | H012 | 116.9° | 118.8° |
| N02 | C01 | C03 | H031 | 16.3° | 163.6° |
| N02 | C01 | C03 | H032 | 102.0° | 82.6° |
| C01 | N02 | C04 | H041 | 75.9° | 9.2° |
| C01 | N02 | C04 | H042 | 167.5° | 126.7° |
| C01 | N02 | C30 | H301 | 151.6° | 175.8° |
| C01 | N02 | C30 | H302 | 33.7° | 60.1° |
| C01 | N02 | TB | N06 | 99.5° | 92.4° |
| C01 | N02 | TB | N23 | 27.4° | 21.6° |
| C01 | N02 | TB | O26 | 93.8° | 141.4° |
| C01 | N02 | TB | N09 | 29.9° | 18.1° |
| C03 | N09 | C08 | C07 | 14.1° | 120.8° |
| C03 | N09 | C08 | C29 | 140.2° | 130.1° |
| C03 | N09 | C08 | TB | 64.7° | 117.7° |
| C03 | N09 | C29 | TB | 71.1° | 112.6° |
| N09 | C03 | C01 | H011 | 16.2° | 162.7° |
| N09 | C03 | C01 | H012 | 101.9° | 82.5° |
| N09 | C03 | H031 | H032 | 117.3° | 116.5° |
| C03 | N09 | C08 | H082 | 107.1° | 117.9° |
| C03 | N09 | C08 | H081 | 135.4° | 1.7° |
| C03 | N09 | C29 | H291 | 105.5° | 32.3° |
| C03 | N09 | C29 | H292 | 137.6° | 81.7° |
| C03 | N09 | TB | N06 | 87.8° | 101.7° |
| C03 | N09 | TB | N02 | 17.5° | 34.7° |
| C03 | N09 | TB | N23 | 86.2° | 148.0° |
| C03 | N09 | TB | O26 | 61.4° | 179.2° |
| C05 | C04 | N02 | H041 | 121.7° | 121.4° |
| C05 | C04 | N02 | H042 | 121.7° | 121.1° |
| C04 | C05 | N06 | H052 | 120.9° | 121.9° |
| C04 | C05 | N06 | H051 | 120.9° | 121.1° |
| C04 | C05 | N06 | C07 | 60.9° | 93.3° |
| C05 | C04 | N02 | C30 | 87.2° | 113.0° |
| C05 | C04 | H041 | H042 | 114.5° | 116.3° |
| C04 | C05 | H052 | H051 | 117.2° | 115.4° |
| C04 | C05 | N06 | TB | 72.8° | 93.8° |
| C05 | C04 | N02 | TB | 2.0° | 8.6° |
| N02 | C04 | C05 | N06 | 48.8° | 86.9° |
| C04 | N02 | C30 | TB | 96.5° | 109.6° |
| C04 | N02 | C01 | H011 | 49.7° | 118.1° |
| C04 | N02 | C01 | H012 | 167.8° | 1.3° |
| N02 | C04 | H041 | H042 | 114.5° | 119.3° |
| N02 | C04 | C05 | H052 | 72.1° | 35.3° |
| N02 | C04 | C05 | H051 | 169.7° | 150.3° |
| C04 | N02 | C30 | H301 | 72.3° | 40.9° |
| C04 | N02 | C30 | H302 | 169.9° | 74.8° |
| C04 | N02 | TB | N06 | 23.0° | 31.7° |
| C04 | N02 | TB | N23 | 150.0° | 102.5° |
| C04 | N02 | TB | O26 | 143.7° | 17.2° |
| C04 | N02 | TB | N09 | 92.7° | 106.1° |
| C05 | N06 | C07 | C08 | 146.3° | 86.4° |
| C05 | N06 | C07 | TB | 125.9° | 0.5° |
| C05 | N06 | C3 | H3 | 61.2° | 8.8° |
| C05 | N06 | C3 | H32 | 179.7° | 127.4° |
| N06 | C05 | C04 | H041 | 72.9° | 35.6° |
| N06 | C05 | C04 | H042 | 170.5° | 151.1° |
| N06 | C05 | H052 | H051 | 117.2° | 119.1° |
| C05 | N06 | C07 | H071 | 26.5° | 152.2° |
| C05 | N06 | C07 | H072 | 93.9° | 36.4° |
| C05 | N06 | TB | N02 | 44.5° | 54.3° |
| C05 | N06 | TB | N23 | 114.1° | 167.8° |
| C05 | N06 | TB | O26 | 13.7° | 101.8° |
| C05 | N06 | TB | N09 | 120.2° | 130.3° |
| C08 | C07 | N06 | H071 | 119.8° | 121.4° |
| C08 | C07 | N06 | H072 | 119.8° | 122.8° |
| C07 | C08 | N09 | H082 | 121.2° | 121.4° |
| C07 | C08 | N09 | H081 | 121.2° | 122.4° |
| C07 | C08 | N09 | C29 | 154.3° | 109.1° |
| C08 | C07 | H071 | H072 | 120.5° | 115.8° |
| C07 | C08 | H082 | H081 | 116.1° | 115.4° |
| C08 | C07 | N06 | TB | 20.4° | 86.8° |
| C07 | C08 | N09 | TB | 78.8° | 3.0° |
| N06 | C07 | C08 | N09 | 91.6° | 94.2° |
| C07 | N06 | C3 | H3 | 171.5° | 134.5° |
| C07 | N06 | C3 | H32 | 52.9° | 15.9° |
| C07 | N06 | C05 | H052 | 178.2° | 28.7° |
| C07 | N06 | C05 | H051 | 60.0° | 145.6° |
| N06 | C07 | H071 | H072 | 120.5° | 116.9° |
| N06 | C07 | C08 | H082 | 29.6° | 143.6° |
| N06 | C07 | C08 | H081 | 147.2° | 29.2° |
| C07 | N06 | TB | N02 | 84.8° | 125.2° |
| C07 | N06 | TB | N23 | 15.1° | 12.7° |
| C07 | N06 | TB | O26 | 115.5° | 78.7° |
| C07 | N06 | TB | N09 | 9.0° | 49.2° |
| C08 | N09 | C29 | TB | 69.0° | 114.9° |
| C08 | N09 | C03 | H031 | 58.7° | 61.0° |
| C08 | N09 | C03 | H032 | 177.0° | 176.2° |
| N09 | C08 | C07 | H071 | 28.2° | 142.9° |
| N09 | C08 | C07 | H072 | 148.6° | 28.4° |
| N09 | C08 | H082 | H081 | 116.1° | 118.3° |
| C08 | N09 | C29 | H291 | 114.4° | 164.9° |
| C08 | N09 | C29 | H292 | 2.5° | 50.8° |
| C08 | N09 | TB | N06 | 37.6° | 22.2° |
| C08 | N09 | TB | N02 | 107.9° | 89.1° |
| C08 | N09 | TB | N23 | 148.4° | 88.2° |
| C08 | N09 | TB | O26 | 173.2° | 57.0° |
| C13 | C14 | C15 | H141 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.1° | 0.3° |
| C13 | C14 | C15 | H151 | 179.9° | 179.9° |
| C14 | C15 | C16 | H151 | 180.0° | 179.6° |
| C14 | C15 | C16 | C18 | 179.8° | 179.9° |
| C14 | C15 | C16 | N17 | 0.4° | 0.5° |
| C15 | C14 | C13 | H131 | 179.4° | 180.0° |
| C15 | C16 | C18 | N17 | 179.9° | 179.5° |
| C15 | C16 | C18 | O27 | 172.2° | 177.6° |
| C15 | C16 | C18 | O28 | 8.8° | 2.6° |
| C16 | C15 | C14 | H141 | 179.9° | 179.8° |
| C16 | C18 | O27 | O28 | 179.0° | 179.8° |
| C18 | C16 | C15 | H151 | 0.2° | 0.4° |
| N17 | C16 | C18 | O27 | 7.7° | 3.0° |
| N17 | C16 | C18 | O28 | 171.3° | 176.9° |
| N17 | C16 | C15 | H151 | 179.6° | 179.9° |
| C16 | N17 | TB | N06 | 100.7° | 155.1° |
| C16 | N17 | TB | N02 | 161.8° | 158.1° |
| C16 | N17 | TB | N23 | 132.0° | 28.0° |
| C16 | N17 | TB | O26 | 93.7° | 53.7° |
| C16 | N17 | TB | N09 | 149.5° | 94.4° |
| C18 | O27 | TB | N06 | 81.0° | 122.6° |
| C18 | O27 | TB | N02 | 22.0° | 11.8° |
| C18 | O27 | TB | N23 | 128.6° | 139.1° |
| C18 | O27 | TB | O26 | 73.1° | 154.0° |
| C18 | O27 | TB | N09 | 131.7° | 79.8° |
| C19 | C20 | C21 | H211 | 179.6° | 179.8° |
| C22 | C24 | O25 | O26 | 179.6° | 178.8° |
| C24 | C22 | C21 | H211 | 0.0° | 0.8° |
| C24 | C22 | N23 | TB | 1.3° | 9.6° |
| C22 | C24 | O26 | TB | 5.9° | 16.9° |
| N23 | C22 | C24 | O25 | 177.6° | 175.3° |
| N23 | C22 | C24 | O26 | 2.9° | 5.8° |
| N23 | C22 | C21 | H211 | 179.8° | 179.4° |
| C22 | N23 | TB | N06 | 153.9° | 105.6° |
| C22 | N23 | TB | N02 | 97.7° | 161.9° |
| C22 | N23 | TB | O26 | 2.8° | 12.5° |
| C22 | N23 | TB | N09 | 160.1° | 165.4° |
| O25 | C24 | O26 | TB | 174.5° | 164.3° |
| C24 | O26 | TB | N06 | 118.8° | 112.2° |
| C24 | O26 | TB | N02 | 91.8° | 153.6° |
| C24 | O26 | TB | N23 | 4.8° | 15.7° |
| C24 | O26 | TB | N09 | 28.0° | 47.8° |
| C29 | N09 | C03 | H031 | 164.8° | 70.9° |
| C29 | N09 | C03 | H032 | 46.5° | 44.3° |
| C29 | N09 | C08 | H082 | 33.1° | 12.3° |
| C29 | N09 | C08 | H081 | 84.5° | 128.5° |
| N09 | C29 | H291 | H292 | 115.0° | 117.1° |
| C29 | N09 | TB | N06 | 150.6° | 142.5° |
| C29 | N09 | TB | N02 | 139.1° | 150.6° |
| C29 | N09 | TB | N23 | 35.4° | 32.1° |
| C29 | N09 | TB | O26 | 60.2° | 63.3° |
| C30 | N02 | C01 | H011 | 83.7° | 16.1° |
| C30 | N02 | C01 | H012 | 34.4° | 132.8° |
| C30 | N02 | C04 | H041 | 151.1° | 125.6° |
| C30 | N02 | C04 | H042 | 34.5° | 8.1° |
| N02 | C30 | H301 | H302 | 116.7° | 117.5° |
| C30 | N02 | TB | N06 | 135.4° | 148.2° |
| C30 | N02 | TB | N23 | 97.6° | 141.0° |
| C30 | N02 | TB | O26 | 31.2° | 99.2° |
| C30 | N02 | TB | N09 | 154.9° | 137.5° |
| H12 | C1 | O1 | H13 | 60.0° | 58.3° |
| H12 | C1 | C2 | H21 | 75.4° | 86.1° |
| H12 | C1 | C2 | H2 | 44.1° | 158.0° |
| H11 | C1 | O1 | H13 | 59.9° | 59.3° |
| H11 | C1 | C2 | H21 | 164.7° | 31.9° |
| H11 | C1 | C2 | H2 | 75.8° | 83.9° |
| H21 | C2 | C3 | H3 | 115.1° | 73.9° |
| H21 | C2 | C3 | H32 | 3.5° | 40.6° |
| H2 | C2 | C3 | H3 | 125.4° | 170.5° |
| H2 | C2 | C3 | H32 | 116.0° | 75.0° |
| H211 | C21 | C20 | H201 | 0.4° | 0.2° |
| H3 | C3 | N06 | TB | 46.7° | 63.2° |
| H32 | C3 | N06 | TB | 71.8° | 55.4° |
| H011 | C01 | C03 | H031 | 104.7° | 74.1° |
| H011 | C01 | C03 | H032 | 137.0° | 39.7° |
| H011 | C01 | N02 | TB | 22.0° | 123.8° |
| H012 | C01 | C03 | H031 | 137.3° | 40.7° |
| H012 | C01 | C03 | H032 | 19.0° | 154.5° |
| H012 | C01 | N02 | TB | 96.0° | 119.5° |
| H031 | C03 | N09 | TB | 121.1° | 179.1° |
| H032 | C03 | N09 | TB | 120.6° | 65.6° |
| H041 | C04 | C05 | H052 | 166.2° | 157.8° |
| H041 | C04 | C05 | H051 | 48.0° | 87.1° |
| H041 | C04 | N02 | TB | 119.7° | 130.0° |
| H042 | C04 | C05 | H052 | 49.6° | 86.7° |
| H042 | C04 | C05 | H051 | 68.6° | 28.3° |
| H042 | C04 | N02 | TB | 123.7° | 112.5° |
| H052 | C05 | N06 | TB | 48.1° | 28.2° |
| H051 | C05 | N06 | TB | 166.3° | 145.1° |
| H071 | C07 | C08 | H082 | 149.4° | 20.7° |
| H071 | C07 | C08 | H081 | 93.0° | 93.7° |
| H071 | C07 | N06 | TB | 99.4° | 151.7° |
| H072 | C07 | C08 | H082 | 90.2° | 93.8° |
| H072 | C07 | C08 | H081 | 27.3° | 151.8° |
| H072 | C07 | N06 | TB | 140.2° | 35.9° |
| H082 | C08 | N09 | TB | 42.4° | 124.4° |
| H081 | C08 | N09 | TB | 160.0° | 119.4° |
| H131 | C13 | C14 | H141 | 0.6° | 0.1° |
| H141 | C14 | C15 | H151 | 0.1° | 0.2° |
| H191 | C19 | C20 | H201 | 0.3° | 0.0° |
| H291 | C29 | N09 | TB | 176.6° | 80.2° |
| H292 | C29 | N09 | TB | 66.5° | 165.8° |
| H301 | C30 | N02 | TB | 168.8° | 68.7° |
| H302 | C30 | N02 | TB | 73.4° | 175.6° |
| N06 | TB | N02 | N23 | 127.0° | 70.8° |
| N06 | TB | N02 | O26 | 166.7° | 49.0° |
| N06 | TB | N02 | N09 | 69.7° | 74.3° |
| N06 | TB | N23 | O26 | 151.1° | 93.0° |
| N06 | TB | N23 | N09 | 6.2° | 59.9° |
| N06 | TB | O26 | N09 | 90.7° | 64.4° |
| N02 | TB | N23 | O26 | 94.9° | 149.4° |
| N02 | TB | N23 | N09 | 62.4° | 3.5° |
| N02 | TB | O26 | N09 | 63.7° | 105.8° |
| N23 | TB | O26 | N09 | 23.3° | 32.1° |
