BM9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.36Å | 1.28Å | Aromatic |
| C1 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | S11 | sing | 1.76Å | 1.50Å | |
| C2 | C9 | sing | 1.41Å | 1.37Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.36Å | 1.37Å | Aromatic |
| C3 | C9 | sing | 1.40Å | 1.48Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.39Å | 1.34Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.36Å | 1.31Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C10 | sing | 1.40Å | 1.34Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.36Å | 1.33Å | Aromatic |
| C7 | C10 | sing | 1.41Å | 1.41Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | doub | 1.42Å | 1.35Å | Aromatic |
| S11 | O12 | doub | 1.42Å | 1.41Å | |
| S11 | O13 | doub | 1.42Å | 1.51Å | |
| S11 | N14 | sing | 1.66Å | 1.87Å | |
| N14 | C15 | sing | 1.46Å | 1.25Å | |
| N14 | HN4 | sing | 0.97Å | 1.00Å | |
| C15 | C16 | sing | 1.53Å | 1.46Å | |
| C15 | C18 | sing | 1.51Å | 1.64Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | O17 | sing | 1.43Å | 1.57Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| O17 | HO7 | sing | 0.97Å | 0.95Å | |
| C18 | O19 | doub | 1.21Å | 1.41Å | |
| C18 | N20 | sing | 1.35Å | 1.12Å | |
| N20 | C21 | sing | 1.47Å | 1.38Å | |
| N20 | C24 | sing | 1.47Å | 1.38Å | |
| C21 | C22 | sing | 1.55Å | 1.55Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.55Å | 1.25Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.54Å | 1.58Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.57Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | N26 | sing | 1.46Å | 1.60Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| N26 | C27 | sing | 1.35Å | 1.19Å | |
| N26 | HN6 | sing | 0.97Å | 1.00Å | |
| C27 | O28 | doub | 1.21Å | 1.12Å | |
| C27 | C29 | sing | 1.51Å | 1.52Å | |
| C29 | C30 | sing | 1.53Å | 1.47Å | |
| C29 | C34 | sing | 1.53Å | 1.43Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | N31 | sing | 1.47Å | 1.37Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| N31 | C32 | sing | 1.47Å | 1.23Å | |
| N31 | C35 | sing | 1.38Å | 1.39Å | |
| C32 | C33 | sing | 1.53Å | 1.20Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.53Å | 1.41Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C35 | N37 | doub | 1.30Å | 1.34Å | |
| C35 | N36 | sing | 1.38Å | 1.41Å | |
| N37 | HN7 | sing | 0.97Å | 1.00Å | |
| N36 | HN61 | sing | 0.97Å | 1.00Å | |
| N36 | HN62 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C8 | 119.9° | 121.0° |
| C2 | C1 | S11 | 119.7° | 119.5° |
| C1 | C2 | C9 | 121.6° | 119.7° |
| C1 | C2 | H2 | 119.2° | 120.2° |
| C8 | C1 | S11 | 120.3° | 119.5° |
| C1 | C8 | C7 | 121.2° | 121.0° |
| C1 | C8 | H8 | 119.4° | 119.5° |
| C1 | S11 | O12 | 121.3° | 106.4° |
| C1 | S11 | O13 | 114.8° | 106.4° |
| C1 | S11 | N14 | 98.9° | 107.2° |
| C9 | C2 | H2 | 119.2° | 120.2° |
| C2 | C9 | C3 | 123.0° | 121.3° |
| C2 | C9 | C10 | 119.8° | 119.3° |
| C4 | C3 | C9 | 120.0° | 119.6° |
| C4 | C3 | H3 | 120.0° | 120.2° |
| C3 | C4 | C5 | 118.6° | 121.0° |
| C3 | C4 | H4 | 120.7° | 119.5° |
| C9 | C3 | H3 | 120.0° | 120.2° |
| C3 | C9 | C10 | 117.2° | 119.4° |
| C5 | C4 | H4 | 120.7° | 119.4° |
| C4 | C5 | C6 | 120.0° | 120.9° |
| C4 | C5 | H5 | 120.0° | 119.6° |
| C6 | C5 | H5 | 120.0° | 119.5° |
| C5 | C6 | C10 | 126.3° | 119.6° |
| C5 | C6 | H6 | 116.9° | 120.1° |
| C10 | C6 | H6 | 116.8° | 120.2° |
| C6 | C10 | C7 | 122.6° | 121.3° |
| C6 | C10 | C9 | 117.7° | 119.4° |
| C8 | C7 | C10 | 117.9° | 119.7° |
| C8 | C7 | H7 | 121.1° | 120.2° |
| C7 | C8 | H8 | 119.4° | 119.5° |
| C10 | C7 | H7 | 121.0° | 120.2° |
| C7 | C10 | C9 | 119.4° | 119.4° |
| O12 | S11 | O13 | 101.7° | 123.2° |
| O12 | S11 | N14 | 104.4° | 106.4° |
| O13 | S11 | N14 | 116.0° | 106.4° |
| S11 | N14 | C15 | 136.1° | 120.0° |
| S11 | N14 | HN4 | 101.4° | 120.1° |
| C15 | N14 | HN4 | 101.4° | 120.0° |
| N14 | C15 | C16 | 117.4° | 109.5° |
| N14 | C15 | C18 | 103.3° | 109.5° |
| N14 | C15 | H15 | 106.4° | 109.5° |
| C16 | C15 | C18 | 102.0° | 109.5° |
| C16 | C15 | H15 | 107.7° | 109.5° |
| C15 | C16 | O17 | 110.4° | 109.5° |
| C15 | C16 | H161 | 109.1° | 109.4° |
| C15 | C16 | H162 | 109.2° | 109.4° |
| C18 | C15 | H15 | 120.8° | 109.4° |
| C15 | C18 | O19 | 115.0° | 120.0° |
| C15 | C18 | N20 | 126.1° | 120.0° |
| O17 | C16 | H161 | 109.2° | 109.5° |
| O17 | C16 | H162 | 109.1° | 109.5° |
| C16 | O17 | HO7 | 109.5° | 114.0° |
| H161 | C16 | H162 | 109.8° | 109.4° |
| O19 | C18 | N20 | 118.9° | 120.0° |
| C18 | N20 | C21 | 122.6° | 125.6° |
| C18 | N20 | C24 | 136.4° | 125.7° |
| C21 | N20 | C24 | 100.7° | 108.7° |
| N20 | C21 | C22 | 108.3° | 104.8° |
| N20 | C21 | H211 | 109.8° | 110.3° |
| N20 | C21 | H212 | 109.8° | 110.3° |
| N20 | C24 | C23 | 112.9° | 107.2° |
| N20 | C24 | C25 | 112.7° | 109.9° |
| N20 | C24 | H24 | 104.2° | 109.8° |
| C22 | C21 | H211 | 109.9° | 110.4° |
| C22 | C21 | H212 | 109.9° | 110.4° |
| C21 | C22 | C23 | 109.7° | 101.6° |
| C21 | C22 | H221 | 109.4° | 111.0° |
| C21 | C22 | H222 | 109.4° | 111.0° |
| H211 | C21 | H212 | 109.1° | 110.5° |
| C23 | C22 | H221 | 109.4° | 111.0° |
| C23 | C22 | H222 | 109.4° | 111.0° |
| C22 | C23 | C24 | 96.9° | 103.0° |
| C22 | C23 | H231 | 113.9° | 110.7° |
| C22 | C23 | H232 | 113.9° | 110.7° |
| H221 | C22 | H222 | 109.5° | 110.9° |
| C24 | C23 | H231 | 113.9° | 110.8° |
| C24 | C23 | H232 | 113.9° | 110.5° |
| C23 | C24 | C25 | 107.8° | 110.0° |
| C23 | C24 | H24 | 109.5° | 109.7° |
| H231 | C23 | H232 | 104.7° | 110.8° |
| C25 | C24 | H24 | 109.7° | 110.0° |
| C24 | C25 | N26 | 102.1° | 109.4° |
| C24 | C25 | H251 | 112.0° | 109.4° |
| C24 | C25 | H252 | 112.0° | 109.5° |
| N26 | C25 | H251 | 112.0° | 109.5° |
| N26 | C25 | H252 | 112.0° | 109.5° |
| C25 | N26 | C27 | 130.8° | 120.0° |
| C25 | N26 | HN6 | 114.6° | 120.0° |
| H251 | C25 | H252 | 106.9° | 109.5° |
| C27 | N26 | HN6 | 114.6° | 120.0° |
| N26 | C27 | O28 | 105.3° | 120.0° |
| N26 | C27 | C29 | 138.7° | 120.0° |
| O28 | C27 | C29 | 114.0° | 120.0° |
| C27 | C29 | C30 | 110.1° | 109.5° |
| C27 | C29 | C34 | 117.8° | 109.5° |
| C27 | C29 | H29 | 102.8° | 109.5° |
| C30 | C29 | C34 | 108.5° | 109.3° |
| C30 | C29 | H29 | 113.2° | 109.5° |
| C29 | C30 | N31 | 105.3° | 108.7° |
| C29 | C30 | H301 | 110.9° | 109.6° |
| C29 | C30 | H302 | 110.9° | 109.5° |
| C34 | C29 | H29 | 104.5° | 109.6° |
| C29 | C34 | C33 | 109.2° | 109.5° |
| C29 | C34 | H341 | 109.6° | 109.4° |
| C29 | C34 | H342 | 109.6° | 109.5° |
| N31 | C30 | H301 | 110.9° | 109.6° |
| N31 | C30 | H302 | 110.9° | 109.6° |
| C30 | N31 | C32 | 116.2° | 118.7° |
| C30 | N31 | C35 | 124.1° | 120.6° |
| H301 | C30 | H302 | 108.0° | 109.7° |
| C32 | N31 | C35 | 119.0° | 120.6° |
| N31 | C32 | C33 | 124.5° | 108.8° |
| N31 | C32 | H321 | 104.7° | 109.6° |
| N31 | C32 | H322 | 104.7° | 109.6° |
| N31 | C35 | N37 | 125.3° | 120.0° |
| N31 | C35 | N36 | 118.5° | 119.9° |
| C33 | C32 | H321 | 104.7° | 109.6° |
| C33 | C32 | H322 | 104.7° | 109.6° |
| C32 | C33 | C34 | 109.7° | 109.3° |
| C32 | C33 | H331 | 109.4° | 109.5° |
| C32 | C33 | H332 | 109.4° | 109.5° |
| H321 | C32 | H322 | 113.8° | 109.7° |
| C34 | C33 | H331 | 109.4° | 109.5° |
| C34 | C33 | H332 | 109.4° | 109.5° |
| C33 | C34 | H341 | 109.6° | 109.5° |
| C33 | C34 | H342 | 109.6° | 109.5° |
| H331 | C33 | H332 | 109.5° | 109.5° |
| H341 | C34 | H342 | 109.3° | 109.4° |
| N37 | C35 | N36 | 116.1° | 120.0° |
| C35 | N37 | HN7 | 112.0° | 120.0° |
| C35 | N36 | HN61 | 120.0° | 120.0° |
| C35 | N36 | HN62 | 120.0° | 120.0° |
| HN61 | N36 | HN62 | 120.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C8 | S11 | 176.8° | 179.7° |
| C1 | C2 | C9 | H2 | 180.0° | 180.0° |
| C1 | C2 | C9 | C3 | 177.0° | 180.0° |
| C2 | C1 | C8 | C7 | 1.0° | 0.0° |
| C2 | C1 | C8 | H8 | 179.0° | 180.0° |
| C1 | C2 | C9 | C10 | 5.1° | 0.1° |
| C2 | C1 | S11 | O12 | 158.8° | 156.5° |
| C2 | C1 | S11 | O13 | 35.9° | 23.5° |
| C2 | C1 | S11 | N14 | 88.3° | 90.0° |
| C8 | C1 | C2 | C9 | 1.8° | 0.0° |
| C8 | C1 | C2 | H2 | 178.2° | 180.0° |
| C1 | C8 | C7 | H8 | 180.0° | 180.0° |
| C1 | C8 | C7 | C10 | 0.3° | 0.0° |
| C1 | C8 | C7 | H7 | 179.7° | 179.9° |
| C8 | C1 | S11 | O12 | 24.4° | 23.2° |
| C8 | C1 | S11 | O13 | 147.3° | 156.2° |
| C8 | C1 | S11 | N14 | 88.6° | 90.3° |
| S11 | C1 | C2 | C9 | 178.6° | 179.7° |
| S11 | C1 | C2 | H2 | 1.4° | 0.3° |
| S11 | C1 | C8 | C7 | 175.8° | 179.7° |
| S11 | C1 | C8 | H8 | 4.2° | 0.3° |
| C1 | S11 | O12 | O13 | 128.9° | 123.0° |
| C1 | S11 | O12 | N14 | 110.1° | 114.1° |
| C1 | S11 | O13 | N14 | 114.5° | 114.1° |
| C1 | S11 | N14 | C15 | 90.3° | 65.0° |
| C1 | S11 | N14 | HN4 | 149.7° | 115.0° |
| C2 | C9 | C3 | C4 | 178.5° | 180.0° |
| C2 | C9 | C3 | C10 | 177.9° | 179.9° |
| C2 | C9 | C3 | H3 | 1.5° | 0.0° |
| C2 | C9 | C10 | C6 | 179.6° | 180.0° |
| C2 | C9 | C10 | C7 | 5.7° | 0.1° |
| H2 | C2 | C9 | C3 | 3.0° | 0.0° |
| H2 | C2 | C9 | C10 | 174.9° | 180.0° |
| C4 | C3 | C9 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 3.0° | 0.0° |
| C3 | C4 | C5 | H5 | 176.9° | 180.0° |
| C4 | C3 | C9 | C10 | 3.6° | 0.0° |
| C9 | C3 | C4 | C5 | 4.3° | 0.0° |
| C9 | C3 | C4 | H4 | 175.7° | 180.0° |
| C3 | C9 | C10 | C6 | 1.6° | 0.1° |
| C3 | C9 | C10 | C7 | 176.3° | 179.9° |
| H3 | C3 | C4 | C5 | 175.7° | 180.0° |
| H3 | C3 | C4 | H4 | 4.3° | 0.0° |
| H3 | C3 | C9 | C10 | 176.4° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C10 | 1.1° | 0.1° |
| C4 | C5 | C6 | H6 | 178.9° | 180.0° |
| H4 | C4 | C5 | C6 | 177.0° | 180.0° |
| H4 | C4 | C5 | H5 | 3.1° | 0.0° |
| C5 | C6 | C10 | H6 | 180.0° | 179.9° |
| C5 | C6 | C10 | C7 | 175.0° | 180.0° |
| C5 | C6 | C10 | C9 | 0.4° | 0.1° |
| H5 | C5 | C6 | C10 | 178.9° | 180.0° |
| H5 | C5 | C6 | H6 | 1.1° | 0.0° |
| C6 | C10 | C7 | C8 | 177.4° | 180.0° |
| C6 | C10 | C7 | C9 | 174.4° | 179.9° |
| C6 | C10 | C7 | H7 | 2.6° | 0.1° |
| H6 | C6 | C10 | C7 | 5.0° | 0.1° |
| H6 | C6 | C10 | C9 | 179.6° | 180.0° |
| C8 | C7 | C10 | H7 | 180.0° | 179.9° |
| C8 | C7 | C10 | C9 | 3.0° | 0.1° |
| C10 | C7 | C8 | H8 | 179.7° | 179.9° |
| H7 | C7 | C8 | H8 | 0.3° | 0.0° |
| H7 | C7 | C10 | C9 | 177.0° | 180.0° |
| O12 | S11 | O13 | N14 | 112.6° | 122.9° |
| O12 | S11 | N14 | C15 | 144.0° | 48.5° |
| O12 | S11 | N14 | HN4 | 24.0° | 131.4° |
| O13 | S11 | N14 | C15 | 33.0° | 178.6° |
| O13 | S11 | N14 | HN4 | 87.0° | 1.4° |
| S11 | N14 | C15 | HN4 | 120.0° | 180.0° |
| S11 | N14 | C15 | C16 | 149.0° | 95.0° |
| S11 | N14 | C15 | C18 | 99.8° | 145.0° |
| S11 | N14 | C15 | H15 | 28.4° | 25.1° |
| N14 | C15 | C16 | C18 | 112.0° | 120.0° |
| N14 | C15 | C16 | H15 | 119.9° | 120.0° |
| N14 | C15 | C18 | H15 | 118.6° | 120.0° |
| N14 | C15 | C16 | O17 | 67.4° | 65.0° |
| N14 | C15 | C16 | H161 | 52.6° | 175.0° |
| N14 | C15 | C16 | H162 | 172.6° | 55.1° |
| N14 | C15 | C18 | O19 | 54.3° | 0.0° |
| N14 | C15 | C18 | N20 | 126.6° | 180.0° |
| HN4 | N14 | C15 | C16 | 29.0° | 85.0° |
| HN4 | N14 | C15 | C18 | 140.2° | 35.0° |
| HN4 | N14 | C15 | H15 | 91.6° | 155.0° |
| C16 | C15 | C18 | H15 | 119.2° | 120.0° |
| C15 | C16 | O17 | H161 | 120.0° | 120.0° |
| C15 | C16 | O17 | H162 | 120.0° | 120.0° |
| C15 | C16 | H161 | H162 | 119.6° | 119.9° |
| C15 | C16 | O17 | HO7 | 180.0° | 180.0° |
| C16 | C15 | C18 | O19 | 67.8° | 120.0° |
| C16 | C15 | C18 | N20 | 111.2° | 60.0° |
| C18 | C15 | C16 | O17 | 179.4° | 55.0° |
| C18 | C15 | C16 | H161 | 59.4° | 65.0° |
| C18 | C15 | C16 | H162 | 60.6° | 175.1° |
| C15 | C18 | O19 | N20 | 179.1° | 180.0° |
| C15 | C18 | N20 | C21 | 15.4° | 5.0° |
| C15 | C18 | N20 | C24 | 172.4° | 174.6° |
| H15 | C15 | C16 | O17 | 52.5° | 175.0° |
| H15 | C15 | C16 | H161 | 172.5° | 54.9° |
| H15 | C15 | C16 | H162 | 67.5° | 65.0° |
| H15 | C15 | C18 | O19 | 173.0° | 120.0° |
| H15 | C15 | C18 | N20 | 8.0° | 60.0° |
| O17 | C16 | H161 | H162 | 119.6° | 120.1° |
| H161 | C16 | O17 | HO7 | 60.0° | 60.0° |
| H162 | C16 | O17 | HO7 | 60.0° | 60.0° |
| O19 | C18 | N20 | C21 | 165.6° | 175.0° |
| O19 | C18 | N20 | C24 | 6.6° | 5.4° |
| C18 | N20 | C21 | C24 | 174.6° | 179.6° |
| C18 | N20 | C21 | C22 | 175.7° | 155.9° |
| C18 | N20 | C21 | H211 | 55.7° | 37.1° |
| C18 | N20 | C21 | H212 | 64.3° | 85.2° |
| C18 | N20 | C24 | C23 | 155.3° | 178.9° |
| C18 | N20 | C24 | C25 | 82.3° | 61.6° |
| C18 | N20 | C24 | H24 | 36.6° | 59.7° |
| N20 | C21 | C22 | H211 | 120.0° | 118.8° |
| N20 | C21 | C22 | H212 | 120.0° | 118.8° |
| N20 | C21 | H211 | H212 | 120.4° | 122.3° |
| N20 | C21 | C22 | C23 | 24.9° | 37.1° |
| N20 | C21 | C22 | H221 | 144.8° | 81.1° |
| N20 | C21 | C22 | H222 | 95.2° | 155.1° |
| C21 | N20 | C24 | C23 | 18.0° | 1.5° |
| C21 | N20 | C24 | C25 | 104.4° | 118.1° |
| C21 | N20 | C24 | H24 | 136.7° | 120.7° |
| C24 | N20 | C21 | C22 | 1.2° | 24.4° |
| C24 | N20 | C21 | H211 | 118.8° | 143.2° |
| C24 | N20 | C21 | H212 | 121.2° | 94.4° |
| N20 | C24 | C23 | C22 | 33.3° | 21.8° |
| N20 | C24 | C23 | C25 | 125.1° | 119.5° |
| N20 | C24 | C23 | H24 | 115.6° | 119.3° |
| N20 | C24 | C23 | H231 | 86.7° | 140.3° |
| N20 | C24 | C23 | H232 | 153.3° | 96.5° |
| N20 | C24 | C25 | H24 | 115.6° | 121.1° |
| N20 | C24 | C25 | N26 | 70.3° | 175.9° |
| N20 | C24 | C25 | H251 | 169.7° | 64.1° |
| N20 | C24 | C25 | H252 | 49.7° | 55.9° |
| C22 | C21 | H211 | H212 | 120.5° | 122.4° |
| C21 | C22 | C23 | H221 | 120.0° | 118.1° |
| C21 | C22 | C23 | H222 | 120.0° | 118.1° |
| C21 | C22 | H221 | H222 | 119.9° | 123.9° |
| C21 | C22 | C23 | C24 | 31.0° | 35.3° |
| C21 | C22 | C23 | H231 | 88.9° | 153.9° |
| C21 | C22 | C23 | H232 | 151.0° | 82.8° |
| H211 | C21 | C22 | C23 | 95.1° | 155.8° |
| H211 | C21 | C22 | H221 | 24.9° | 37.7° |
| H211 | C21 | C22 | H222 | 144.8° | 86.1° |
| H212 | C21 | C22 | C23 | 144.8° | 81.8° |
| H212 | C21 | C22 | H221 | 95.2° | 160.1° |
| H212 | C21 | C22 | H222 | 24.8° | 36.3° |
| C23 | C22 | H221 | H222 | 119.9° | 123.9° |
| C22 | C23 | C24 | H231 | 120.0° | 118.5° |
| C22 | C23 | C24 | H232 | 120.0° | 118.3° |
| C22 | C23 | H231 | H232 | 125.1° | 123.3° |
| C22 | C23 | C24 | C25 | 91.9° | 141.3° |
| C22 | C23 | C24 | H24 | 148.8° | 97.5° |
| H221 | C22 | C23 | C24 | 151.0° | 82.8° |
| H221 | C22 | C23 | H231 | 31.1° | 35.8° |
| H221 | C22 | C23 | H232 | 89.0° | 159.0° |
| H222 | C22 | C23 | C24 | 89.0° | 153.4° |
| H222 | C22 | C23 | H231 | 151.1° | 88.1° |
| H222 | C22 | C23 | H232 | 31.0° | 35.2° |
| C24 | C23 | H231 | H232 | 125.0° | 123.0° |
| C23 | C24 | C25 | H24 | 119.1° | 121.0° |
| C23 | C24 | C25 | N26 | 164.4° | 66.2° |
| C23 | C24 | C25 | H251 | 44.4° | 53.8° |
| C23 | C24 | C25 | H252 | 75.6° | 173.7° |
| H231 | C23 | C24 | C25 | 148.2° | 100.2° |
| H231 | C23 | C24 | H24 | 28.9° | 21.0° |
| H232 | C23 | C24 | C25 | 28.1° | 23.0° |
| H232 | C23 | C24 | H24 | 91.1° | 144.2° |
| C24 | C25 | N26 | H251 | 120.0° | 120.0° |
| C24 | C25 | N26 | H252 | 120.0° | 120.0° |
| C24 | C25 | H251 | H252 | 123.0° | 120.0° |
| C24 | C25 | N26 | C27 | 106.5° | 175.1° |
| C24 | C25 | N26 | HN6 | 73.5° | 4.9° |
| H24 | C24 | C25 | N26 | 45.3° | 54.8° |
| H24 | C24 | C25 | H251 | 74.7° | 174.8° |
| H24 | C24 | C25 | H252 | 165.3° | 65.2° |
| N26 | C25 | H251 | H252 | 123.0° | 120.1° |
| C25 | N26 | C27 | HN6 | 180.0° | 180.0° |
| C25 | N26 | C27 | O28 | 1.1° | 0.0° |
| C25 | N26 | C27 | C29 | 162.8° | 180.0° |
| H251 | C25 | N26 | C27 | 133.5° | 64.9° |
| H251 | C25 | N26 | HN6 | 46.5° | 115.1° |
| H252 | C25 | N26 | C27 | 13.5° | 55.1° |
| H252 | C25 | N26 | HN6 | 166.5° | 124.9° |
| N26 | C27 | O28 | C29 | 166.9° | 179.9° |
| N26 | C27 | C29 | C30 | 163.1° | 60.0° |
| N26 | C27 | C29 | C34 | 71.9° | 179.8° |
| N26 | C27 | C29 | H29 | 42.3° | 60.1° |
| HN6 | N26 | C27 | O28 | 178.9° | 180.0° |
| HN6 | N26 | C27 | C29 | 17.2° | 0.0° |
| O28 | C27 | C29 | C30 | 2.5° | 120.0° |
| O28 | C27 | C29 | C34 | 127.5° | 0.1° |
| O28 | C27 | C29 | H29 | 118.3° | 120.0° |
| C27 | C29 | C30 | C34 | 130.2° | 119.9° |
| C27 | C29 | C30 | H29 | 114.3° | 120.0° |
| C27 | C29 | C34 | H29 | 113.2° | 120.1° |
| C27 | C29 | C30 | N31 | 175.9° | 174.6° |
| C27 | C29 | C30 | H301 | 64.1° | 54.8° |
| C27 | C29 | C30 | H302 | 55.9° | 65.7° |
| C27 | C29 | C34 | C33 | 176.9° | 178.6° |
| C27 | C29 | C34 | H341 | 56.9° | 58.6° |
| C27 | C29 | C34 | H342 | 63.0° | 61.3° |
| C30 | C29 | C34 | H29 | 121.0° | 120.0° |
| C29 | C30 | N31 | H301 | 120.0° | 119.8° |
| C29 | C30 | N31 | H302 | 120.0° | 119.7° |
| C29 | C30 | H301 | H302 | 121.7° | 120.4° |
| C29 | C30 | N31 | C32 | 48.8° | 53.6° |
| C29 | C30 | N31 | C35 | 122.1° | 126.4° |
| C30 | C29 | C34 | C33 | 57.3° | 61.4° |
| C30 | C29 | C34 | H341 | 177.3° | 178.5° |
| C30 | C29 | C34 | H342 | 62.7° | 58.6° |
| C34 | C29 | C30 | N31 | 54.0° | 54.7° |
| C34 | C29 | C30 | H301 | 66.0° | 65.1° |
| C34 | C29 | C30 | H302 | 173.9° | 174.4° |
| C29 | C34 | C33 | C32 | 51.7° | 61.4° |
| C29 | C34 | C33 | H341 | 120.0° | 120.0° |
| C29 | C34 | C33 | H342 | 120.0° | 120.0° |
| C29 | C34 | C33 | H331 | 171.7° | 178.7° |
| C29 | C34 | C33 | H332 | 68.4° | 58.5° |
| C29 | C34 | H341 | H342 | 120.1° | 119.9° |
| H29 | C29 | C30 | N31 | 61.5° | 65.4° |
| H29 | C29 | C30 | H301 | 178.5° | 174.8° |
| H29 | C29 | C30 | H302 | 58.5° | 54.4° |
| H29 | C29 | C34 | C33 | 63.7° | 58.6° |
| H29 | C29 | C34 | H341 | 56.3° | 61.4° |
| H29 | C29 | C34 | H342 | 176.3° | 178.6° |
| N31 | C30 | H301 | H302 | 121.7° | 120.4° |
| C30 | N31 | C32 | C35 | 171.4° | 180.0° |
| C30 | N31 | C32 | C33 | 51.7° | 53.6° |
| C30 | N31 | C32 | H321 | 68.3° | 66.2° |
| C30 | N31 | C32 | H322 | 171.7° | 173.4° |
| C30 | N31 | C35 | N37 | 0.0° | 5.1° |
| C30 | N31 | C35 | N36 | 176.2° | 174.9° |
| H301 | C30 | N31 | C32 | 71.2° | 66.2° |
| H301 | C30 | N31 | C35 | 118.0° | 113.8° |
| H302 | C30 | N31 | C32 | 168.8° | 173.3° |
| H302 | C30 | N31 | C35 | 2.1° | 6.7° |
| N31 | C32 | C33 | H321 | 120.0° | 119.8° |
| N31 | C32 | C33 | H322 | 120.0° | 119.8° |
| N31 | C32 | H321 | H322 | 113.8° | 120.3° |
| N31 | C32 | C33 | C34 | 50.2° | 54.6° |
| N31 | C32 | C33 | H331 | 170.2° | 174.6° |
| N31 | C32 | C33 | H332 | 69.8° | 65.3° |
| C32 | N31 | C35 | N37 | 170.6° | 174.8° |
| C32 | N31 | C35 | N36 | 13.2° | 5.2° |
| C35 | N31 | C32 | C33 | 119.7° | 126.4° |
| C35 | N31 | C32 | H321 | 120.4° | 113.8° |
| C35 | N31 | C32 | H322 | 0.4° | 6.6° |
| N31 | C35 | N37 | N36 | 176.2° | 180.0° |
| N31 | C35 | N37 | HN7 | 176.2° | 180.0° |
| N31 | C35 | N36 | HN61 | 176.5° | 5.3° |
| N31 | C35 | N36 | HN62 | 3.5° | 174.7° |
| C33 | C32 | H321 | H322 | 113.8° | 120.4° |
| C32 | C33 | C34 | H331 | 120.0° | 119.9° |
| C32 | C33 | C34 | H332 | 120.0° | 119.9° |
| C32 | C33 | H331 | H332 | 119.9° | 120.1° |
| C32 | C33 | C34 | H341 | 171.7° | 178.6° |
| C32 | C33 | C34 | H342 | 68.4° | 58.6° |
| H321 | C32 | C33 | C34 | 69.8° | 65.1° |
| H321 | C32 | C33 | H331 | 50.2° | 54.8° |
| H321 | C32 | C33 | H332 | 170.2° | 174.9° |
| H322 | C32 | C33 | C34 | 170.2° | 174.4° |
| H322 | C32 | C33 | H331 | 69.8° | 65.6° |
| H322 | C32 | C33 | H332 | 50.2° | 54.5° |
| C34 | C33 | H331 | H332 | 119.9° | 120.1° |
| C33 | C34 | H341 | H342 | 120.1° | 120.0° |
| H331 | C33 | C34 | H341 | 68.3° | 58.7° |
| H331 | C33 | C34 | H342 | 51.6° | 61.3° |
| H332 | C33 | C34 | H341 | 51.7° | 61.5° |
| H332 | C33 | C34 | H342 | 171.6° | 178.6° |
| N37 | C35 | N36 | HN61 | 0.0° | 174.7° |
| N37 | C35 | N36 | HN62 | 180.0° | 5.2° |
| N36 | C35 | N37 | HN7 | 0.0° | 0.0° |
| C35 | N36 | HN61 | HN62 | 180.0° | 180.0° |
