INP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.42Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.44Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.43Å | Aromatic |
| C3 | C7 | sing | 1.51Å | 1.52Å | |
| C4 | C5 | sing | 1.38Å | 1.44Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | O8 | sing | 1.45Å | 1.45Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| O8 | C9 | sing | 1.35Å | 1.37Å | |
| C9 | O10 | doub | 1.21Å | 1.23Å | |
| C9 | N11 | sing | 1.35Å | 1.31Å | |
| N11 | C12 | sing | 1.46Å | 1.48Å | |
| N11 | HN1 | sing | 0.97Å | 1.02Å | |
| C12 | C13 | sing | 1.53Å | 1.58Å | |
| C12 | C19 | sing | 1.53Å | 1.56Å | |
| C12 | H12 | sing | 1.09Å | 1.12Å | |
| C13 | N14 | sing | 1.47Å | 1.47Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| N14 | C15 | sing | 1.49Å | 1.50Å | |
| N14 | C16 | sing | 1.48Å | 1.51Å | |
| C15 | C18 | sing | 1.54Å | 1.51Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C16 | C17 | sing | 1.52Å | 1.54Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C17 | C18 | sing | 1.52Å | 1.52Å | |
| C17 | O42 | doub | 1.21Å | 1.39Å | |
| C18 | N23 | sing | 1.46Å | 1.48Å | |
| C18 | H18 | sing | 1.09Å | 1.12Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C20 | C21 | sing | 1.53Å | 1.49Å | |
| C20 | C22 | sing | 1.53Å | 1.48Å | |
| C20 | H20 | sing | 1.09Å | 1.12Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| C21 | H213 | sing | 1.09Å | 1.12Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| C22 | H223 | sing | 1.09Å | 1.11Å | |
| N23 | C24 | sing | 1.35Å | 1.34Å | |
| N23 | HN2 | sing | 0.97Å | 1.02Å | |
| C24 | O25 | doub | 1.21Å | 1.25Å | |
| C24 | C26 | sing | 1.51Å | 1.57Å | |
| C26 | C27 | sing | 1.53Å | 1.57Å | |
| C26 | N31 | sing | 1.47Å | 1.49Å | |
| C26 | H26 | sing | 1.09Å | 1.11Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | H271 | sing | 1.09Å | 1.12Å | |
| C27 | H272 | sing | 1.09Å | 1.12Å | |
| C28 | C29 | sing | 1.53Å | 1.46Å | |
| C28 | C30 | sing | 1.53Å | 1.52Å | |
| C28 | H28 | sing | 1.09Å | 1.11Å | |
| C29 | H291 | sing | 1.09Å | 1.12Å | |
| C29 | H292 | sing | 1.09Å | 1.12Å | |
| C29 | H293 | sing | 1.09Å | 1.11Å | |
| C30 | H301 | sing | 1.09Å | 1.12Å | |
| C30 | H302 | sing | 1.09Å | 1.11Å | |
| C30 | H303 | sing | 1.09Å | 1.12Å | |
| N31 | C32 | sing | 1.35Å | 1.33Å | |
| N31 | HN3 | sing | 0.97Å | 1.02Å | |
| C32 | O33 | doub | 1.21Å | 1.22Å | |
| C32 | O34 | sing | 1.35Å | 1.40Å | |
| O34 | C35 | sing | 1.45Å | 1.44Å | |
| C35 | C36 | sing | 1.51Å | 1.54Å | |
| C35 | H351 | sing | 1.09Å | 1.11Å | |
| C35 | H352 | sing | 1.09Å | 1.12Å | |
| C36 | C37 | doub | 1.39Å | 1.41Å | Aromatic |
| C36 | C41 | sing | 1.39Å | 1.40Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.10Å | |
| C38 | N39 | doub | 1.32Å | 1.34Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.10Å | |
| N39 | C40 | sing | 1.32Å | 1.34Å | Aromatic |
| C40 | C41 | doub | 1.38Å | 1.39Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.10Å | |
| C41 | H41 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 122.5° | 120.0° |
| C2 | C1 | H1 | 117.8° | 120.0° |
| C1 | C2 | C3 | 118.7° | 120.0° |
| C1 | C2 | H2 | 121.3° | 120.0° |
| C6 | C1 | H1 | 119.7° | 120.0° |
| C1 | C6 | C5 | 119.3° | 120.0° |
| C1 | C6 | H6 | 122.1° | 120.0° |
| C3 | C2 | H2 | 120.0° | 120.0° |
| C2 | C3 | C4 | 119.2° | 120.0° |
| C2 | C3 | C7 | 119.5° | 120.0° |
| C4 | C3 | C7 | 121.2° | 120.0° |
| C3 | C4 | C5 | 122.2° | 120.1° |
| C3 | C4 | H4 | 118.4° | 119.9° |
| C3 | C7 | O8 | 111.2° | 109.5° |
| C3 | C7 | H71 | 111.6° | 109.4° |
| C3 | C7 | H72 | 111.6° | 109.4° |
| C5 | C4 | H4 | 119.4° | 120.0° |
| C4 | C5 | C6 | 118.0° | 120.0° |
| C4 | C5 | H5 | 122.7° | 120.0° |
| C6 | C5 | H5 | 119.3° | 120.0° |
| C5 | C6 | H6 | 118.7° | 120.0° |
| O8 | C7 | H71 | 111.6° | 109.5° |
| O8 | C7 | H72 | 111.6° | 109.5° |
| C7 | O8 | C9 | 118.2° | 120.0° |
| H71 | C7 | H72 | 98.7° | 109.5° |
| O8 | C9 | O10 | 125.1° | 120.0° |
| O8 | C9 | N11 | 112.3° | 120.0° |
| O10 | C9 | N11 | 122.5° | 120.0° |
| C9 | N11 | C12 | 124.8° | 120.0° |
| C9 | N11 | HN1 | 110.6° | 120.0° |
| C12 | N11 | HN1 | 124.6° | 120.0° |
| N11 | C12 | C13 | 109.9° | 109.5° |
| N11 | C12 | C19 | 105.3° | 109.5° |
| N11 | C12 | H12 | 112.9° | 109.4° |
| C13 | C12 | C19 | 112.2° | 109.5° |
| C13 | C12 | H12 | 106.1° | 109.5° |
| C12 | C13 | N14 | 113.1° | 109.5° |
| C12 | C13 | H131 | 110.9° | 109.5° |
| C12 | C13 | H132 | 110.9° | 109.5° |
| C19 | C12 | H12 | 110.6° | 109.4° |
| C12 | C19 | C20 | 115.1° | 109.5° |
| C12 | C19 | H191 | 110.1° | 109.5° |
| C12 | C19 | H192 | 110.1° | 109.5° |
| N14 | C13 | H131 | 110.9° | 109.4° |
| N14 | C13 | H132 | 110.8° | 109.5° |
| C13 | N14 | C15 | 111.9° | 106.7° |
| C13 | N14 | C16 | 111.0° | 106.7° |
| H131 | C13 | H132 | 99.5° | 109.5° |
| C15 | N14 | C16 | 108.5° | 103.8° |
| N14 | C15 | C18 | 106.7° | 104.2° |
| N14 | C15 | H151 | 113.2° | 110.5° |
| N14 | C15 | H152 | 113.3° | 110.5° |
| N14 | C16 | C17 | 103.0° | 104.9° |
| N14 | C16 | H161 | 114.6° | 110.4° |
| N14 | C16 | H162 | 114.6° | 110.4° |
| C18 | C15 | H151 | 113.2° | 110.4° |
| C18 | C15 | H152 | 113.2° | 110.5° |
| C15 | C18 | C17 | 100.5° | 105.3° |
| C15 | C18 | N23 | 118.1° | 110.3° |
| C15 | C18 | H18 | 112.1° | 110.3° |
| H151 | C15 | H152 | 97.2° | 110.6° |
| C17 | C16 | H161 | 114.7° | 110.3° |
| C17 | C16 | H162 | 114.6° | 110.3° |
| C16 | C17 | C18 | 107.6° | 105.7° |
| C16 | C17 | O42 | 121.1° | 127.1° |
| H161 | C16 | H162 | 95.9° | 110.4° |
| C18 | C17 | O42 | 101.3° | 127.1° |
| C17 | C18 | N23 | 115.0° | 110.3° |
| C17 | C18 | H18 | 115.4° | 110.2° |
| N23 | C18 | H18 | 96.7° | 110.3° |
| C18 | N23 | C24 | 118.7° | 120.0° |
| C18 | N23 | HN2 | 125.4° | 120.0° |
| C20 | C19 | H191 | 110.2° | 109.5° |
| C20 | C19 | H192 | 110.2° | 109.5° |
| C19 | C20 | C21 | 109.9° | 109.5° |
| C19 | C20 | C22 | 104.9° | 109.5° |
| C19 | C20 | H20 | 113.1° | 109.4° |
| H191 | C19 | H192 | 100.1° | 109.4° |
| C21 | C20 | C22 | 112.3° | 109.5° |
| C21 | C20 | H20 | 105.9° | 109.5° |
| C20 | C21 | H211 | 109.9° | 109.4° |
| C20 | C21 | H212 | 112.0° | 109.5° |
| C20 | C21 | H213 | 112.0° | 109.5° |
| C22 | C20 | H20 | 110.9° | 109.5° |
| C20 | C22 | H221 | 104.9° | 109.5° |
| C20 | C22 | H222 | 113.9° | 109.5° |
| C20 | C22 | H223 | 113.9° | 109.5° |
| H211 | C21 | H212 | 112.1° | 109.5° |
| H211 | C21 | H213 | 112.0° | 109.5° |
| H212 | C21 | H213 | 98.4° | 109.5° |
| H221 | C22 | H222 | 114.0° | 109.4° |
| H221 | C22 | H223 | 114.0° | 109.5° |
| H222 | C22 | H223 | 96.5° | 109.5° |
| C24 | N23 | HN2 | 115.9° | 120.0° |
| N23 | C24 | O25 | 120.6° | 120.0° |
| N23 | C24 | C26 | 117.8° | 120.1° |
| O25 | C24 | C26 | 121.6° | 120.0° |
| C24 | C26 | C27 | 110.3° | 109.5° |
| C24 | C26 | N31 | 112.4° | 109.5° |
| C24 | C26 | H26 | 106.4° | 109.5° |
| C27 | C26 | N31 | 107.7° | 109.5° |
| C27 | C26 | H26 | 111.2° | 109.5° |
| C26 | C27 | C28 | 116.6° | 109.5° |
| C26 | C27 | H271 | 109.6° | 109.5° |
| C26 | C27 | H272 | 109.7° | 109.5° |
| N31 | C26 | H26 | 108.9° | 109.4° |
| C26 | N31 | C32 | 126.2° | 120.0° |
| C26 | N31 | HN3 | 123.4° | 119.9° |
| C28 | C27 | H271 | 109.6° | 109.5° |
| C28 | C27 | H272 | 109.6° | 109.5° |
| C27 | C28 | C29 | 108.0° | 109.5° |
| C27 | C28 | C30 | 109.4° | 109.5° |
| C27 | C28 | H28 | 111.4° | 109.5° |
| H271 | C27 | H272 | 100.5° | 109.4° |
| C29 | C28 | C30 | 112.1° | 109.5° |
| C29 | C28 | H28 | 108.7° | 109.4° |
| C28 | C29 | H291 | 107.9° | 109.5° |
| C28 | C29 | H292 | 112.7° | 109.5° |
| C28 | C29 | H293 | 112.8° | 109.4° |
| C30 | C28 | H28 | 107.2° | 109.5° |
| C28 | C30 | H301 | 109.5° | 109.5° |
| C28 | C30 | H302 | 112.3° | 109.5° |
| C28 | C30 | H303 | 112.3° | 109.4° |
| H291 | C29 | H292 | 112.8° | 109.5° |
| H291 | C29 | H293 | 112.8° | 109.5° |
| H292 | C29 | H293 | 97.7° | 109.5° |
| H301 | C30 | H302 | 112.2° | 109.6° |
| H301 | C30 | H303 | 112.2° | 109.4° |
| H302 | C30 | H303 | 98.2° | 109.5° |
| C32 | N31 | HN3 | 110.4° | 120.1° |
| N31 | C32 | O33 | 121.1° | 120.0° |
| N31 | C32 | O34 | 113.7° | 120.0° |
| O33 | C32 | O34 | 125.2° | 120.0° |
| C32 | O34 | C35 | 116.1° | 120.0° |
| O34 | C35 | C36 | 111.9° | 109.4° |
| O34 | C35 | H351 | 111.3° | 109.5° |
| O34 | C35 | H352 | 111.3° | 109.5° |
| C36 | C35 | H351 | 111.3° | 109.4° |
| C36 | C35 | H352 | 111.3° | 109.5° |
| C35 | C36 | C37 | 120.1° | 120.8° |
| C35 | C36 | C41 | 121.4° | 120.8° |
| H351 | C35 | H352 | 99.1° | 109.5° |
| C37 | C36 | C41 | 118.4° | 118.4° |
| C36 | C37 | C38 | 119.4° | 119.1° |
| C36 | C37 | H37 | 120.5° | 120.5° |
| C36 | C41 | C40 | 119.1° | 119.2° |
| C36 | C41 | H41 | 120.9° | 120.4° |
| C38 | C37 | H37 | 120.1° | 120.4° |
| C37 | C38 | N39 | 120.1° | 120.7° |
| C37 | C38 | H38 | 122.3° | 119.6° |
| N39 | C38 | H38 | 117.5° | 119.7° |
| C38 | N39 | C40 | 121.8° | 121.7° |
| N39 | C40 | C41 | 121.2° | 120.8° |
| N39 | C40 | H40 | 117.5° | 119.6° |
| C41 | C40 | H40 | 121.3° | 119.6° |
| C40 | C41 | H41 | 120.0° | 120.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.2° |
| C1 | C2 | C3 | C7 | 179.9° | 180.0° |
| C2 | C1 | C6 | C5 | 0.3° | 0.1° |
| C2 | C1 | C6 | H6 | 179.8° | 179.9° |
| C6 | C1 | C2 | C3 | 0.1° | 0.0° |
| C6 | C1 | C2 | H2 | 179.9° | 180.0° |
| C1 | C6 | C5 | C4 | 0.2° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 179.7° | 179.9° |
| H1 | C1 | C2 | C3 | 179.9° | 179.9° |
| H1 | C1 | C2 | H2 | 0.1° | 0.1° |
| H1 | C1 | C6 | C5 | 179.7° | 180.0° |
| H1 | C1 | C6 | H6 | 0.3° | 0.0° |
| C2 | C3 | C4 | C7 | 179.8° | 179.8° |
| C2 | C3 | C4 | C5 | 0.2° | 0.4° |
| C2 | C3 | C4 | H4 | 179.8° | 179.9° |
| C2 | C3 | C7 | O8 | 13.1° | 90.0° |
| C2 | C3 | C7 | H71 | 138.5° | 30.0° |
| C2 | C3 | C7 | H72 | 112.2° | 150.0° |
| H2 | C2 | C3 | C4 | 179.9° | 179.8° |
| H2 | C2 | C3 | C7 | 0.1° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 0.0° | 0.3° |
| C3 | C4 | C5 | H5 | 180.0° | 179.7° |
| C4 | C3 | C7 | O8 | 167.1° | 90.2° |
| C4 | C3 | C7 | H71 | 41.8° | 149.7° |
| C4 | C3 | C7 | H72 | 67.6° | 29.8° |
| C7 | C3 | C4 | C5 | 179.9° | 179.8° |
| C7 | C3 | C4 | H4 | 0.0° | 0.1° |
| C3 | C7 | O8 | H71 | 125.3° | 120.0° |
| C3 | C7 | O8 | H72 | 125.3° | 120.0° |
| C3 | C7 | H71 | H72 | 117.4° | 119.9° |
| C3 | C7 | O8 | C9 | 161.0° | 180.0° |
| C4 | C5 | C6 | H5 | 179.9° | 179.9° |
| C4 | C5 | C6 | H6 | 179.8° | 179.9° |
| H4 | C4 | C5 | C6 | 179.9° | 180.0° |
| H4 | C4 | C5 | H5 | 0.0° | 0.0° |
| H5 | C5 | C6 | H6 | 0.2° | 0.0° |
| O8 | C7 | H71 | H72 | 117.5° | 120.0° |
| C7 | O8 | C9 | O10 | 38.5° | 0.0° |
| C7 | O8 | C9 | N11 | 141.2° | 180.0° |
| H71 | C7 | O8 | C9 | 35.6° | 60.0° |
| H72 | C7 | O8 | C9 | 73.8° | 60.0° |
| O8 | C9 | O10 | N11 | 179.7° | 180.0° |
| O8 | C9 | N11 | C12 | 179.8° | 174.2° |
| O8 | C9 | N11 | HN1 | 0.2° | 5.8° |
| O10 | C9 | N11 | C12 | 0.1° | 5.8° |
| O10 | C9 | N11 | HN1 | 179.9° | 174.2° |
| C9 | N11 | C12 | HN1 | 180.0° | 180.0° |
| C9 | N11 | C12 | C13 | 105.7° | 133.5° |
| C9 | N11 | C12 | C19 | 133.3° | 106.5° |
| C9 | N11 | C12 | H12 | 12.5° | 13.4° |
| N11 | C12 | C13 | C19 | 116.8° | 120.0° |
| N11 | C12 | C13 | H12 | 122.3° | 120.0° |
| N11 | C12 | C19 | H12 | 122.3° | 119.9° |
| N11 | C12 | C13 | N14 | 101.1° | 60.0° |
| N11 | C12 | C13 | H131 | 133.6° | 180.0° |
| N11 | C12 | C13 | H132 | 24.1° | 60.0° |
| N11 | C12 | C19 | C20 | 98.2° | 63.3° |
| N11 | C12 | C19 | H191 | 136.5° | 176.7° |
| N11 | C12 | C19 | H192 | 27.0° | 56.7° |
| HN1 | N11 | C12 | C13 | 74.3° | 46.5° |
| HN1 | N11 | C12 | C19 | 46.8° | 73.5° |
| HN1 | N11 | C12 | H12 | 167.5° | 166.5° |
| C13 | C12 | C19 | H12 | 118.2° | 120.0° |
| C12 | C13 | N14 | H131 | 125.3° | 120.0° |
| C12 | C13 | N14 | H132 | 125.2° | 120.1° |
| C12 | C13 | H131 | H132 | 116.8° | 120.1° |
| C12 | C13 | N14 | C15 | 54.2° | 180.0° |
| C12 | C13 | N14 | C16 | 175.6° | 69.6° |
| C13 | C12 | C19 | C20 | 21.2° | 176.7° |
| C13 | C12 | C19 | H191 | 104.1° | 56.7° |
| C13 | C12 | C19 | H192 | 146.5° | 63.3° |
| C19 | C12 | C13 | N14 | 142.1° | 180.0° |
| C19 | C12 | C13 | H131 | 16.8° | 60.0° |
| C19 | C12 | C13 | H132 | 92.7° | 60.0° |
| C12 | C19 | C20 | H191 | 125.2° | 120.1° |
| C12 | C19 | C20 | H192 | 125.3° | 120.0° |
| C12 | C19 | H191 | H192 | 115.9° | 120.0° |
| C12 | C19 | C20 | C21 | 143.6° | 174.6° |
| C12 | C19 | C20 | C22 | 95.5° | 65.4° |
| C12 | C19 | C20 | H20 | 25.4° | 54.6° |
| H12 | C12 | C13 | N14 | 21.2° | 60.0° |
| H12 | C12 | C13 | H131 | 104.0° | 60.0° |
| H12 | C12 | C13 | H132 | 146.4° | 180.0° |
| H12 | C12 | C19 | C20 | 139.5° | 56.7° |
| H12 | C12 | C19 | H191 | 14.2° | 63.4° |
| H12 | C12 | C19 | H192 | 95.3° | 176.7° |
| N14 | C13 | H131 | H132 | 116.7° | 120.0° |
| C13 | N14 | C15 | C16 | 122.8° | 112.5° |
| C13 | N14 | C15 | C18 | 143.9° | 151.1° |
| C13 | N14 | C15 | H151 | 90.8° | 90.3° |
| C13 | N14 | C15 | H152 | 18.6° | 32.4° |
| C13 | N14 | C16 | C17 | 121.7° | 151.7° |
| C13 | N14 | C16 | H161 | 3.6° | 32.9° |
| C13 | N14 | C16 | H162 | 113.1° | 89.5° |
| H131 | C13 | N14 | C15 | 71.1° | 60.0° |
| H131 | C13 | N14 | C16 | 50.3° | 170.5° |
| H132 | C13 | N14 | C15 | 179.4° | 60.0° |
| H132 | C13 | N14 | C16 | 59.2° | 50.5° |
| N14 | C15 | C18 | H151 | 125.3° | 118.7° |
| N14 | C15 | C18 | H152 | 125.3° | 118.7° |
| N14 | C15 | H151 | H152 | 119.2° | 122.7° |
| C15 | N14 | C16 | C17 | 1.7° | 39.2° |
| C15 | N14 | C16 | H161 | 126.9° | 79.6° |
| C15 | N14 | C16 | H162 | 123.6° | 158.0° |
| N14 | C15 | C18 | C17 | 34.5° | 23.4° |
| N14 | C15 | C18 | N23 | 160.4° | 142.4° |
| N14 | C15 | C18 | H18 | 88.6° | 95.5° |
| C16 | N14 | C15 | C18 | 21.1° | 38.6° |
| C16 | N14 | C15 | H151 | 146.4° | 157.3° |
| C16 | N14 | C15 | H152 | 104.2° | 80.1° |
| N14 | C16 | C17 | H161 | 125.3° | 118.8° |
| N14 | C16 | C17 | H162 | 125.2° | 118.9° |
| N14 | C16 | H161 | H162 | 120.5° | 122.3° |
| N14 | C16 | C17 | C18 | 24.0° | 24.1° |
| N14 | C16 | C17 | O42 | 139.6° | 155.9° |
| C18 | C15 | H151 | H152 | 119.2° | 122.6° |
| C15 | C18 | C17 | C16 | 36.1° | 0.3° |
| C15 | C18 | C17 | N23 | 127.9° | 119.0° |
| C15 | C18 | C17 | H18 | 120.8° | 118.9° |
| C15 | C18 | C17 | O42 | 164.2° | 179.7° |
| C15 | C18 | N23 | H18 | 119.4° | 122.1° |
| C15 | C18 | N23 | C24 | 144.4° | 150.0° |
| C15 | C18 | N23 | HN2 | 35.6° | 29.9° |
| H151 | C15 | C18 | C17 | 159.7° | 142.0° |
| H151 | C15 | C18 | N23 | 74.4° | 98.9° |
| H151 | C15 | C18 | H18 | 36.6° | 23.1° |
| H152 | C15 | C18 | C17 | 90.8° | 95.3° |
| H152 | C15 | C18 | N23 | 35.1° | 23.7° |
| H152 | C15 | C18 | H18 | 146.1° | 145.8° |
| C17 | C16 | H161 | H162 | 120.5° | 122.2° |
| C16 | C17 | C18 | O42 | 128.1° | 180.0° |
| C16 | C17 | C18 | N23 | 164.0° | 118.7° |
| C16 | C17 | C18 | H18 | 84.7° | 119.3° |
| H161 | C16 | C17 | C18 | 149.2° | 94.8° |
| H161 | C16 | C17 | O42 | 95.1° | 85.2° |
| H162 | C16 | C17 | C18 | 101.3° | 142.9° |
| H162 | C16 | C17 | O42 | 14.4° | 37.1° |
| C17 | C18 | N23 | H18 | 122.1° | 122.0° |
| C17 | C18 | N23 | C24 | 97.2° | 94.1° |
| C17 | C18 | N23 | HN2 | 82.9° | 86.0° |
| O42 | C17 | C18 | N23 | 67.9° | 61.3° |
| O42 | C17 | C18 | H18 | 43.4° | 60.7° |
| C18 | N23 | C24 | HN2 | 180.0° | 179.9° |
| C18 | N23 | C24 | O25 | 1.0° | 0.0° |
| C18 | N23 | C24 | C26 | 177.8° | 180.0° |
| H18 | C18 | N23 | C24 | 24.9° | 27.9° |
| H18 | C18 | N23 | HN2 | 155.0° | 152.0° |
| C20 | C19 | H191 | H192 | 116.0° | 120.0° |
| C19 | C20 | C21 | C22 | 116.3° | 120.0° |
| C19 | C20 | C21 | H20 | 122.5° | 120.0° |
| C19 | C20 | C22 | H20 | 122.4° | 120.0° |
| C19 | C20 | C21 | H211 | 180.0° | 180.0° |
| C19 | C20 | C21 | H212 | 54.7° | 60.0° |
| C19 | C20 | C21 | H213 | 54.7° | 60.0° |
| C19 | C20 | C22 | H221 | 180.0° | 58.0° |
| C19 | C20 | C22 | H222 | 54.7° | 61.9° |
| C19 | C20 | C22 | H223 | 54.7° | 178.1° |
| H191 | C19 | C20 | C21 | 91.1° | 65.3° |
| H191 | C19 | C20 | C22 | 29.7° | 54.7° |
| H191 | C19 | C20 | H20 | 150.7° | 174.7° |
| H192 | C19 | C20 | C21 | 18.4° | 54.6° |
| H192 | C19 | C20 | C22 | 139.2° | 174.6° |
| H192 | C19 | C20 | H20 | 99.8° | 65.4° |
| C21 | C20 | C22 | H20 | 118.3° | 120.0° |
| C20 | C21 | H211 | H212 | 125.3° | 120.0° |
| C20 | C21 | H211 | H213 | 125.2° | 120.0° |
| C20 | C21 | H212 | H213 | 117.9° | 120.0° |
| C21 | C20 | C22 | H221 | 60.7° | 62.0° |
| C21 | C20 | C22 | H222 | 174.0° | 178.1° |
| C21 | C20 | C22 | H223 | 64.6° | 58.1° |
| C22 | C20 | C21 | H211 | 63.7° | 60.0° |
| C22 | C20 | C21 | H212 | 61.6° | 180.0° |
| C22 | C20 | C21 | H213 | 171.1° | 60.0° |
| C20 | C22 | H221 | H222 | 125.2° | 119.9° |
| C20 | C22 | H221 | H223 | 125.3° | 120.0° |
| C20 | C22 | H222 | H223 | 119.8° | 120.0° |
| H20 | C20 | C21 | H211 | 57.4° | 60.0° |
| H20 | C20 | C21 | H212 | 177.3° | 59.9° |
| H20 | C20 | C21 | H213 | 67.8° | 180.0° |
| H20 | C20 | C22 | H221 | 57.6° | 178.0° |
| H20 | C20 | C22 | H222 | 67.7° | 58.1° |
| H20 | C20 | C22 | H223 | 177.1° | 62.0° |
| H211 | C21 | H212 | H213 | 118.0° | 120.0° |
| H221 | C22 | H222 | H223 | 119.9° | 120.0° |
| N23 | C24 | O25 | C26 | 178.8° | 180.0° |
| N23 | C24 | C26 | C27 | 76.2° | 60.0° |
| N23 | C24 | C26 | N31 | 163.6° | 180.0° |
| N23 | C24 | C26 | H26 | 44.5° | 60.0° |
| HN2 | N23 | C24 | O25 | 178.9° | 180.0° |
| HN2 | N23 | C24 | C26 | 2.2° | 0.0° |
| O25 | C24 | C26 | C27 | 104.9° | 120.0° |
| O25 | C24 | C26 | N31 | 15.3° | 0.0° |
| O25 | C24 | C26 | H26 | 134.4° | 120.0° |
| C24 | C26 | C27 | N31 | 123.0° | 120.1° |
| C24 | C26 | C27 | H26 | 117.7° | 120.0° |
| C24 | C26 | N31 | H26 | 117.6° | 120.0° |
| C24 | C26 | C27 | C28 | 157.5° | 176.5° |
| C24 | C26 | C27 | H271 | 77.3° | 63.5° |
| C24 | C26 | C27 | H272 | 32.2° | 56.4° |
| C24 | C26 | N31 | C32 | 78.8° | 133.4° |
| C24 | C26 | N31 | HN3 | 101.1° | 46.6° |
| C27 | C26 | N31 | H26 | 120.7° | 120.0° |
| C26 | C27 | C28 | H271 | 125.2° | 120.0° |
| C26 | C27 | C28 | H272 | 125.3° | 120.0° |
| C26 | C27 | H271 | H272 | 115.4° | 120.0° |
| C26 | C27 | C28 | C29 | 140.2° | 173.7° |
| C26 | C27 | C28 | C30 | 97.5° | 66.3° |
| C26 | C27 | C28 | H28 | 20.9° | 53.7° |
| C27 | C26 | N31 | C32 | 159.5° | 106.6° |
| C27 | C26 | N31 | HN3 | 20.5° | 73.5° |
| N31 | C26 | C27 | C28 | 79.5° | 63.4° |
| N31 | C26 | C27 | H271 | 45.8° | 56.6° |
| N31 | C26 | C27 | H272 | 155.2° | 176.5° |
| C26 | N31 | C32 | HN3 | 180.0° | 180.0° |
| C26 | N31 | C32 | O33 | 1.3° | 1.5° |
| C26 | N31 | C32 | O34 | 177.9° | 178.4° |
| H26 | C26 | C27 | C28 | 39.8° | 56.5° |
| H26 | C26 | C27 | H271 | 165.0° | 176.5° |
| H26 | C26 | C27 | H272 | 85.5° | 63.6° |
| H26 | C26 | N31 | C32 | 38.8° | 13.4° |
| H26 | C26 | N31 | HN3 | 141.3° | 166.6° |
| C28 | C27 | H271 | H272 | 115.4° | 120.0° |
| C27 | C28 | C29 | C30 | 120.6° | 120.0° |
| C27 | C28 | C29 | H28 | 121.0° | 120.0° |
| C27 | C28 | C30 | H28 | 121.0° | 120.0° |
| C27 | C28 | C29 | H291 | 180.0° | 180.0° |
| C27 | C28 | C29 | H292 | 54.8° | 60.0° |
| C27 | C28 | C29 | H293 | 54.7° | 60.0° |
| C27 | C28 | C30 | H301 | 180.0° | 55.4° |
| C27 | C28 | C30 | H302 | 54.7° | 64.7° |
| C27 | C28 | C30 | H303 | 54.7° | 175.3° |
| H271 | C27 | C28 | C29 | 94.5° | 53.7° |
| H271 | C27 | C28 | C30 | 27.8° | 173.7° |
| H271 | C27 | C28 | H28 | 146.1° | 66.3° |
| H272 | C27 | C28 | C29 | 14.9° | 66.3° |
| H272 | C27 | C28 | C30 | 137.2° | 53.7° |
| H272 | C27 | C28 | H28 | 104.4° | 173.7° |
| C29 | C28 | C30 | H28 | 119.2° | 120.0° |
| C28 | C29 | H291 | H292 | 125.2° | 120.0° |
| C28 | C29 | H291 | H293 | 125.3° | 120.0° |
| C28 | C29 | H292 | H293 | 118.7° | 120.0° |
| C29 | C28 | C30 | H301 | 60.2° | 64.6° |
| C29 | C28 | C30 | H302 | 174.5° | 175.3° |
| C29 | C28 | C30 | H303 | 65.0° | 55.3° |
| C30 | C28 | C29 | H291 | 59.3° | 60.0° |
| C30 | C28 | C29 | H292 | 65.9° | 180.0° |
| C30 | C28 | C29 | H293 | 175.3° | 60.0° |
| C28 | C30 | H301 | H302 | 125.3° | 120.0° |
| C28 | C30 | H301 | H303 | 125.3° | 119.9° |
| C28 | C30 | H302 | H303 | 118.2° | 120.0° |
| H28 | C28 | C29 | H291 | 59.0° | 60.0° |
| H28 | C28 | C29 | H292 | 175.8° | 60.0° |
| H28 | C28 | C29 | H293 | 66.3° | 180.0° |
| H28 | C28 | C30 | H301 | 59.0° | 175.4° |
| H28 | C28 | C30 | H302 | 66.3° | 55.4° |
| H28 | C28 | C30 | H303 | 175.7° | 64.6° |
| H291 | C29 | H292 | H293 | 118.8° | 120.1° |
| H301 | C30 | H302 | H303 | 118.0° | 120.0° |
| N31 | C32 | O33 | O34 | 179.1° | 179.9° |
| N31 | C32 | O34 | C35 | 154.1° | 180.0° |
| HN3 | N31 | C32 | O33 | 178.7° | 178.5° |
| HN3 | N31 | C32 | O34 | 2.1° | 1.6° |
| O33 | C32 | O34 | C35 | 25.1° | 0.1° |
| C32 | O34 | C35 | C36 | 132.8° | 180.0° |
| C32 | O34 | C35 | H351 | 7.5° | 60.1° |
| C32 | O34 | C35 | H352 | 102.0° | 60.0° |
| O34 | C35 | C36 | H351 | 125.3° | 120.0° |
| O34 | C35 | C36 | H352 | 125.2° | 120.0° |
| O34 | C35 | H351 | H352 | 117.2° | 120.0° |
| O34 | C35 | C36 | C37 | 127.4° | 90.1° |
| O34 | C35 | C36 | C41 | 55.2° | 90.4° |
| C36 | C35 | H351 | H352 | 117.2° | 120.0° |
| C35 | C36 | C37 | C41 | 177.5° | 179.6° |
| C35 | C36 | C37 | C38 | 177.2° | 180.0° |
| C35 | C36 | C37 | H37 | 2.8° | 0.2° |
| C35 | C36 | C41 | C40 | 177.3° | 179.7° |
| C35 | C36 | C41 | H41 | 2.7° | 0.4° |
| H351 | C35 | C36 | C37 | 107.3° | 29.9° |
| H351 | C35 | C36 | C41 | 70.1° | 149.7° |
| H352 | C35 | C36 | C37 | 2.2° | 150.0° |
| H352 | C35 | C36 | C41 | 179.6° | 29.6° |
| C36 | C37 | C38 | H37 | 180.0° | 179.8° |
| C36 | C37 | C38 | N39 | 0.2° | 0.1° |
| C36 | C37 | C38 | H38 | 179.9° | 180.0° |
| C37 | C36 | C41 | C40 | 0.2° | 0.7° |
| C37 | C36 | C41 | H41 | 179.8° | 180.0° |
| C41 | C36 | C37 | C38 | 0.3° | 0.4° |
| C41 | C36 | C37 | H37 | 179.7° | 179.8° |
| C36 | C41 | C40 | N39 | 0.0° | 0.7° |
| C36 | C41 | C40 | H41 | 180.0° | 179.3° |
| C36 | C41 | C40 | H40 | 179.9° | 179.7° |
| C37 | C38 | N39 | H38 | 179.9° | 180.0° |
| C37 | C38 | N39 | C40 | 0.0° | 0.1° |
| H37 | C37 | C38 | N39 | 179.8° | 179.9° |
| H37 | C37 | C38 | H38 | 0.2° | 0.1° |
| C38 | N39 | C40 | C41 | 0.1° | 0.4° |
| C38 | N39 | C40 | H40 | 179.8° | 180.0° |
| H38 | C38 | N39 | C40 | 179.9° | 180.0° |
| N39 | C40 | C41 | H40 | 179.9° | 179.6° |
| N39 | C40 | C41 | H41 | 180.0° | 180.0° |
| H40 | C40 | C41 | H41 | 0.0° | 0.3° |
