IIP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C2 | doub | 1.36Å | 1.39Å | Aromatic |
| C | N2 | sing | 1.33Å | 1.40Å | Aromatic |
| C | N8 | sing | 1.40Å | 1.38Å | |
| C1 | C6 | sing | 1.40Å | 1.35Å | Aromatic |
| C1 | C10 | doub | 1.38Å | 1.35Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | N | sing | 1.36Å | 1.43Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | N | sing | 1.46Å | 1.49Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C3 | H33 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.47Å | 1.43Å | |
| C4 | N | sing | 1.37Å | 1.43Å | Aromatic |
| C4 | N2 | doub | 1.32Å | 1.39Å | Aromatic |
| C5 | O1 | doub | 1.22Å | 1.24Å | |
| C5 | N1 | sing | 1.35Å | 1.38Å | |
| C6 | C8 | doub | 1.36Å | 1.38Å | Aromatic |
| C6 | N1 | sing | 1.41Å | 1.37Å | |
| C8 | N3 | sing | 1.36Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| C9 | N3 | sing | 1.47Å | 1.60Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C9 | H93 | sing | 1.09Å | 1.11Å | |
| C10 | C11 | sing | 1.47Å | 1.44Å | |
| C10 | N3 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | O2 | doub | 1.22Å | 1.34Å | |
| C11 | N4 | sing | 1.35Å | 1.37Å | |
| C12 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | C14 | doub | 1.36Å | 1.41Å | Aromatic |
| C12 | N4 | sing | 1.41Å | 1.38Å | |
| C13 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | N5 | sing | 1.36Å | 1.40Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | N5 | sing | 1.47Å | 1.51Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C15 | H153 | sing | 1.09Å | 1.11Å | |
| C16 | C23 | sing | 1.47Å | 1.43Å | |
| C16 | N5 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | N6 | sing | 1.46Å | 1.45Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| C19 | C20 | sing | 1.53Å | 1.56Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.11Å | |
| C20 | N7 | sing | 1.47Å | 1.52Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C21 | N7 | sing | 1.47Å | 1.48Å | |
| C21 | H211 | sing | 1.09Å | 1.12Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| C21 | H213 | sing | 1.09Å | 1.12Å | |
| C22 | N7 | sing | 1.47Å | 1.46Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| C22 | H223 | sing | 1.09Å | 1.12Å | |
| C23 | O3 | doub | 1.22Å | 1.27Å | |
| C23 | N11 | sing | 1.35Å | 1.33Å | |
| C24 | C25 | sing | 1.47Å | 1.44Å | |
| C24 | O4 | doub | 1.22Å | 1.29Å | |
| C24 | N8 | sing | 1.35Å | 1.33Å | |
| C25 | N9 | sing | 1.37Å | 1.41Å | Aromatic |
| C25 | N10 | doub | 1.32Å | 1.36Å | Aromatic |
| C26 | C27 | doub | 1.36Å | 1.38Å | Aromatic |
| C26 | N10 | sing | 1.33Å | 1.37Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | N9 | sing | 1.36Å | 1.33Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | N9 | sing | 1.47Å | 1.47Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| C28 | H282 | sing | 1.09Å | 1.11Å | |
| C28 | H283 | sing | 1.09Å | 1.11Å | |
| C29 | C30 | sing | 1.53Å | 1.41Å | |
| C29 | N11 | sing | 1.47Å | 1.40Å | |
| C29 | H291 | sing | 1.09Å | 1.11Å | |
| C29 | H292 | sing | 1.09Å | 1.11Å | |
| C30 | C31 | sing | 1.51Å | 1.49Å | |
| C30 | H301 | sing | 1.09Å | 1.12Å | |
| C30 | H302 | sing | 1.09Å | 1.11Å | |
| C31 | O5 | doub | 1.21Å | 1.16Å | |
| C31 | N6 | sing | 1.35Å | 1.35Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| N4 | HN4 | sing | 0.97Å | 1.02Å | |
| N6 | HN6 | sing | 0.97Å | 1.02Å | |
| N7 | HN7 | sing | 1.01Å | 1.02Å | |
| N8 | HN8 | sing | 0.97Å | 1.02Å | |
| N11 | H11 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C | N2 | 107.2° | 108.2° |
| C2 | C | N8 | 129.2° | 125.9° |
| C | C2 | N | 110.4° | 107.0° |
| C | C2 | H2 | 123.7° | 126.5° |
| N2 | C | N8 | 123.5° | 125.9° |
| C | N2 | C4 | 108.8° | 109.2° |
| C | N8 | C24 | 126.7° | 120.0° |
| C | N8 | HN8 | 118.7° | 120.1° |
| C6 | C1 | C10 | 108.2° | 107.1° |
| C6 | C1 | H1 | 126.0° | 126.4° |
| C1 | C6 | C8 | 108.0° | 107.7° |
| C1 | C6 | N1 | 124.8° | 126.2° |
| C10 | C1 | H1 | 125.8° | 126.5° |
| C1 | C10 | C11 | 125.1° | 126.1° |
| C1 | C10 | N3 | 110.4° | 107.7° |
| N | C2 | H2 | 125.9° | 126.6° |
| C2 | N | C3 | 125.8° | 126.5° |
| C2 | N | C4 | 104.3° | 107.1° |
| N | C3 | H31 | 125.8° | 109.5° |
| N | C3 | H32 | 106.4° | 109.5° |
| N | C3 | H33 | 106.4° | 109.5° |
| C3 | N | C4 | 129.9° | 126.4° |
| H31 | C3 | H32 | 106.5° | 109.5° |
| H31 | C3 | H33 | 106.5° | 109.4° |
| H32 | C3 | H33 | 103.1° | 109.4° |
| C5 | C4 | N | 124.4° | 125.7° |
| C5 | C4 | N2 | 126.1° | 125.8° |
| C4 | C5 | O1 | 114.0° | 120.0° |
| C4 | C5 | N1 | 122.0° | 120.0° |
| N | C4 | N2 | 109.2° | 108.5° |
| O1 | C5 | N1 | 123.6° | 120.0° |
| C5 | N1 | C6 | 121.5° | 120.0° |
| C5 | N1 | HN1 | 119.4° | 120.0° |
| C8 | C6 | N1 | 127.2° | 126.2° |
| C6 | C8 | N3 | 109.0° | 108.8° |
| C6 | C8 | H8 | 125.3° | 125.6° |
| C6 | N1 | HN1 | 119.0° | 120.0° |
| N3 | C8 | H8 | 125.7° | 125.6° |
| C8 | N3 | C9 | 123.0° | 125.6° |
| C8 | N3 | C10 | 104.4° | 108.7° |
| N3 | C9 | H91 | 123.0° | 109.5° |
| N3 | C9 | H92 | 107.4° | 109.4° |
| N3 | C9 | H93 | 107.4° | 109.5° |
| C9 | N3 | C10 | 132.6° | 125.6° |
| H91 | C9 | H92 | 107.4° | 109.5° |
| H91 | C9 | H93 | 107.5° | 109.5° |
| H92 | C9 | H93 | 102.3° | 109.4° |
| C11 | C10 | N3 | 124.1° | 126.2° |
| C10 | C11 | O2 | 119.3° | 120.0° |
| C10 | C11 | N4 | 118.8° | 120.0° |
| O2 | C11 | N4 | 121.9° | 120.0° |
| C11 | N4 | C12 | 120.1° | 120.0° |
| C11 | N4 | HN4 | 119.5° | 120.0° |
| C13 | C12 | C14 | 106.7° | 107.7° |
| C13 | C12 | N4 | 125.6° | 126.1° |
| C12 | C13 | C16 | 108.7° | 107.1° |
| C12 | C13 | H13 | 125.8° | 126.5° |
| C14 | C12 | N4 | 127.7° | 126.1° |
| C12 | C14 | N5 | 108.7° | 108.8° |
| C12 | C14 | H14 | 125.8° | 125.7° |
| C12 | N4 | HN4 | 120.4° | 120.0° |
| C16 | C13 | H13 | 125.5° | 126.4° |
| C13 | C16 | C23 | 126.8° | 126.2° |
| C13 | C16 | N5 | 108.6° | 107.6° |
| N5 | C14 | H14 | 125.4° | 125.5° |
| C14 | N5 | C15 | 122.0° | 125.7° |
| C14 | N5 | C16 | 106.9° | 108.7° |
| N5 | C15 | H151 | 121.9° | 109.5° |
| N5 | C15 | H152 | 107.7° | 109.4° |
| N5 | C15 | H153 | 107.7° | 109.4° |
| C15 | N5 | C16 | 131.1° | 125.6° |
| H151 | C15 | H152 | 107.8° | 109.6° |
| H151 | C15 | H153 | 107.8° | 109.5° |
| H152 | C15 | H153 | 102.1° | 109.4° |
| C23 | C16 | N5 | 124.6° | 126.2° |
| C16 | C23 | O3 | 120.3° | 120.0° |
| C16 | C23 | N11 | 119.3° | 120.0° |
| C19 | C18 | N6 | 112.9° | 109.5° |
| C19 | C18 | H181 | 111.0° | 109.5° |
| C19 | C18 | H182 | 111.0° | 109.5° |
| C18 | C19 | C20 | 114.0° | 109.5° |
| C18 | C19 | H191 | 110.5° | 109.5° |
| C18 | C19 | H192 | 110.5° | 109.5° |
| N6 | C18 | H181 | 110.9° | 109.5° |
| N6 | C18 | H182 | 110.9° | 109.5° |
| C18 | N6 | C31 | 132.8° | 120.1° |
| C18 | N6 | HN6 | 118.2° | 120.0° |
| H181 | C18 | H182 | 99.4° | 109.4° |
| C20 | C19 | H191 | 110.6° | 109.5° |
| C20 | C19 | H192 | 110.6° | 109.5° |
| C19 | C20 | N7 | 121.9° | 109.5° |
| C19 | C20 | H201 | 107.7° | 109.5° |
| C19 | C20 | H202 | 107.8° | 109.5° |
| H191 | C19 | H192 | 99.7° | 109.4° |
| N7 | C20 | H201 | 107.8° | 109.5° |
| N7 | C20 | H202 | 107.8° | 109.5° |
| C20 | N7 | C21 | 112.6° | 109.5° |
| C20 | N7 | C22 | 113.9° | 109.5° |
| C20 | N7 | HN7 | 105.5° | 109.5° |
| H201 | C20 | H202 | 102.1° | 109.5° |
| N7 | C21 | H211 | 112.6° | 109.5° |
| N7 | C21 | H212 | 111.1° | 109.5° |
| N7 | C21 | H213 | 111.1° | 109.5° |
| C21 | N7 | C22 | 113.5° | 109.4° |
| C21 | N7 | HN7 | 106.0° | 109.5° |
| H211 | C21 | H212 | 111.1° | 109.5° |
| H211 | C21 | H213 | 111.1° | 109.5° |
| H212 | C21 | H213 | 99.2° | 109.4° |
| N7 | C22 | H221 | 113.9° | 109.5° |
| N7 | C22 | H222 | 110.6° | 109.5° |
| N7 | C22 | H223 | 110.6° | 109.4° |
| C22 | N7 | HN7 | 104.4° | 109.4° |
| H221 | C22 | H222 | 110.6° | 109.5° |
| H221 | C22 | H223 | 110.6° | 109.4° |
| H222 | C22 | H223 | 99.7° | 109.5° |
| O3 | C23 | N11 | 120.1° | 120.0° |
| C23 | N11 | C29 | 122.9° | 120.0° |
| C23 | N11 | H11 | 115.7° | 120.0° |
| C25 | C24 | O4 | 119.0° | 120.0° |
| C25 | C24 | N8 | 120.0° | 120.0° |
| C24 | C25 | N9 | 124.8° | 125.8° |
| C24 | C25 | N10 | 124.0° | 125.9° |
| O4 | C24 | N8 | 121.1° | 120.0° |
| C24 | N8 | HN8 | 114.7° | 119.9° |
| N9 | C25 | N10 | 111.0° | 108.3° |
| C25 | N9 | C27 | 105.0° | 107.0° |
| C25 | N9 | C28 | 132.1° | 126.5° |
| C25 | N10 | C26 | 105.1° | 109.2° |
| C27 | C26 | N10 | 109.3° | 108.4° |
| C27 | C26 | H26 | 125.8° | 125.8° |
| C26 | C27 | N9 | 109.6° | 107.0° |
| C26 | C27 | H27 | 126.6° | 126.5° |
| N10 | C26 | H26 | 124.9° | 125.8° |
| N9 | C27 | H27 | 123.9° | 126.5° |
| C27 | N9 | C28 | 122.5° | 126.5° |
| N9 | C28 | H281 | 132.1° | 109.4° |
| N9 | C28 | H282 | 104.4° | 109.5° |
| N9 | C28 | H283 | 104.4° | 109.5° |
| H281 | C28 | H282 | 104.4° | 109.4° |
| H281 | C28 | H283 | 104.4° | 109.4° |
| H282 | C28 | H283 | 104.6° | 109.5° |
| C30 | C29 | N11 | 107.8° | 109.4° |
| C30 | C29 | H291 | 112.8° | 109.5° |
| C30 | C29 | H292 | 112.8° | 109.5° |
| C29 | C30 | C31 | 127.1° | 109.4° |
| C29 | C30 | H301 | 106.0° | 109.5° |
| C29 | C30 | H302 | 106.1° | 109.5° |
| N11 | C29 | H291 | 112.9° | 109.5° |
| N11 | C29 | H292 | 112.8° | 109.5° |
| C29 | N11 | H11 | 121.4° | 120.0° |
| H291 | C29 | H292 | 97.7° | 109.5° |
| C31 | C30 | H301 | 106.0° | 109.4° |
| C31 | C30 | H302 | 106.0° | 109.5° |
| C30 | C31 | O5 | 117.5° | 120.0° |
| C30 | C31 | N6 | 119.4° | 120.0° |
| H301 | C30 | H302 | 103.3° | 109.5° |
| O5 | C31 | N6 | 123.1° | 120.0° |
| C31 | N6 | HN6 | 109.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C | N2 | N8 | 178.2° | 179.8° |
| C | C2 | N | H2 | 180.0° | 179.9° |
| C | C2 | N | C3 | 175.9° | 180.0° |
| C | C2 | N | C4 | 3.1° | 0.0° |
| C2 | C | N2 | C4 | 2.4° | 0.3° |
| C2 | C | N8 | C24 | 12.1° | 0.1° |
| C2 | C | N8 | HN8 | 167.9° | 179.9° |
| N2 | C | C2 | N | 3.5° | 0.1° |
| N2 | C | C2 | H2 | 176.6° | 179.8° |
| C | N2 | C4 | C5 | 174.0° | 179.9° |
| C | N2 | C4 | N | 0.5° | 0.3° |
| N2 | C | N8 | C24 | 165.7° | 179.7° |
| N2 | C | N8 | HN8 | 14.3° | 0.3° |
| N8 | C | C2 | N | 178.4° | 180.0° |
| N8 | C | C2 | H2 | 1.5° | 0.0° |
| N8 | C | N2 | C4 | 179.4° | 179.9° |
| C | N8 | C24 | C25 | 179.7° | 180.0° |
| C | N8 | C24 | O4 | 0.7° | 0.0° |
| C | N8 | C24 | HN8 | 180.0° | 180.0° |
| C6 | C1 | C10 | H1 | 180.0° | 179.6° |
| C1 | C6 | N1 | C5 | 165.0° | 0.3° |
| C1 | C6 | C8 | N1 | 178.0° | 179.7° |
| C1 | C6 | C8 | N3 | 1.2° | 0.3° |
| C1 | C6 | C8 | H8 | 178.9° | 179.8° |
| C6 | C1 | C10 | C11 | 172.4° | 179.8° |
| C6 | C1 | C10 | N3 | 1.1° | 0.4° |
| C1 | C6 | N1 | HN1 | 15.0° | 179.7° |
| C10 | C1 | C6 | C8 | 1.4° | 0.4° |
| C10 | C1 | C6 | N1 | 179.4° | 179.8° |
| C1 | C10 | N3 | C8 | 0.4° | 0.2° |
| C1 | C10 | N3 | C9 | 179.7° | 179.7° |
| C1 | C10 | C11 | N3 | 172.6° | 179.7° |
| C1 | C10 | C11 | O2 | 163.8° | 174.6° |
| C1 | C10 | C11 | N4 | 16.9° | 5.3° |
| H1 | C1 | C6 | C8 | 178.7° | 180.0° |
| H1 | C1 | C6 | N1 | 0.6° | 0.3° |
| H1 | C1 | C10 | C11 | 7.6° | 0.3° |
| H1 | C1 | C10 | N3 | 178.9° | 180.0° |
| C2 | N | C3 | C4 | 178.8° | 180.0° |
| C2 | N | C3 | H31 | 180.0° | 90.0° |
| C2 | N | C3 | H32 | 54.7° | 150.0° |
| C2 | N | C3 | H33 | 54.7° | 30.0° |
| C2 | N | C4 | C5 | 176.1° | 180.0° |
| C2 | N | C4 | N2 | 1.5° | 0.2° |
| H2 | C2 | N | C3 | 4.0° | 0.0° |
| H2 | C2 | N | C4 | 177.0° | 180.0° |
| N | C3 | H31 | H32 | 125.3° | 120.1° |
| N | C3 | H31 | H33 | 125.2° | 120.0° |
| N | C3 | H32 | H33 | 111.8° | 120.0° |
| C3 | N | C4 | C5 | 2.9° | 0.0° |
| C3 | N | C4 | N2 | 177.4° | 179.8° |
| H31 | C3 | H32 | H33 | 111.9° | 120.0° |
| H31 | C3 | N | C4 | 1.2° | 90.1° |
| H32 | C3 | N | C4 | 126.5° | 30.0° |
| H33 | C3 | N | C4 | 124.0° | 150.0° |
| C5 | C4 | N | N2 | 174.6° | 179.8° |
| C4 | C5 | O1 | N1 | 173.1° | 180.0° |
| C4 | C5 | N1 | C6 | 176.0° | 180.0° |
| C4 | C5 | N1 | HN1 | 3.9° | 0.0° |
| N | C4 | C5 | O1 | 9.7° | 0.0° |
| N | C4 | C5 | N1 | 177.2° | 180.0° |
| N2 | C4 | C5 | O1 | 164.0° | 179.8° |
| N2 | C4 | C5 | N1 | 9.2° | 0.2° |
| O1 | C5 | N1 | C6 | 3.5° | 0.0° |
| O1 | C5 | N1 | HN1 | 176.5° | 180.0° |
| C5 | N1 | C6 | C8 | 12.6° | 180.0° |
| C5 | N1 | C6 | HN1 | 180.0° | 180.0° |
| C6 | C8 | N3 | H8 | 180.0° | 179.9° |
| C6 | C8 | N3 | C9 | 179.5° | 179.9° |
| C6 | C8 | N3 | C10 | 0.5° | 0.1° |
| C8 | C6 | N1 | HN1 | 167.4° | 0.0° |
| N1 | C6 | C8 | N3 | 179.1° | 180.0° |
| N1 | C6 | C8 | H8 | 0.9° | 0.1° |
| C8 | N3 | C9 | C10 | 179.9° | 179.9° |
| C8 | N3 | C9 | H91 | 180.0° | 85.5° |
| C8 | N3 | C9 | H92 | 54.7° | 154.5° |
| C8 | N3 | C9 | H93 | 54.7° | 34.6° |
| C8 | N3 | C10 | C11 | 173.2° | 180.0° |
| H8 | C8 | N3 | C9 | 0.5° | 0.2° |
| H8 | C8 | N3 | C10 | 179.5° | 180.0° |
| N3 | C9 | H91 | H92 | 125.2° | 120.0° |
| N3 | C9 | H91 | H93 | 125.3° | 120.0° |
| N3 | C9 | H92 | H93 | 112.9° | 119.9° |
| C9 | N3 | C10 | C11 | 6.7° | 0.1° |
| H91 | C9 | H92 | H93 | 113.0° | 120.0° |
| H91 | C9 | N3 | C10 | 0.1° | 94.4° |
| H92 | C9 | N3 | C10 | 125.3° | 25.6° |
| H93 | C9 | N3 | C10 | 125.2° | 145.6° |
| C10 | C11 | O2 | N4 | 179.3° | 180.0° |
| C10 | C11 | N4 | C12 | 174.7° | 174.4° |
| C10 | C11 | N4 | HN4 | 5.3° | 5.5° |
| N3 | C10 | C11 | O2 | 8.8° | 5.1° |
| N3 | C10 | C11 | N4 | 170.5° | 174.9° |
| O2 | C11 | N4 | C12 | 6.0° | 5.6° |
| O2 | C11 | N4 | HN4 | 174.0° | 174.5° |
| C11 | N4 | C12 | C13 | 158.8° | 0.3° |
| C11 | N4 | C12 | C14 | 23.0° | 180.0° |
| C11 | N4 | C12 | HN4 | 180.0° | 179.9° |
| C13 | C12 | C14 | N4 | 178.5° | 179.8° |
| C12 | C13 | C16 | H13 | 180.0° | 179.7° |
| C13 | C12 | C14 | N5 | 1.1° | 0.2° |
| C13 | C12 | C14 | H14 | 178.9° | 179.8° |
| C12 | C13 | C16 | C23 | 174.9° | 179.9° |
| C12 | C13 | C16 | N5 | 5.7° | 0.3° |
| C13 | C12 | N4 | HN4 | 21.2° | 179.8° |
| C14 | C12 | C13 | C16 | 2.8° | 0.3° |
| C14 | C12 | C13 | H13 | 177.2° | 180.0° |
| C12 | C14 | N5 | H14 | 180.0° | 179.9° |
| C12 | C14 | N5 | C15 | 178.0° | 179.9° |
| C12 | C14 | N5 | C16 | 4.5° | 0.0° |
| C14 | C12 | N4 | HN4 | 157.0° | 0.0° |
| N4 | C12 | C13 | C16 | 175.7° | 179.9° |
| N4 | C12 | C13 | H13 | 4.2° | 0.2° |
| N4 | C12 | C14 | N5 | 179.6° | 180.0° |
| N4 | C12 | C14 | H14 | 0.4° | 0.0° |
| C13 | C16 | N5 | C14 | 6.3° | 0.2° |
| C13 | C16 | N5 | C15 | 176.6° | 179.7° |
| C13 | C16 | C23 | N5 | 179.4° | 179.8° |
| C13 | C16 | C23 | O3 | 170.4° | 174.6° |
| C13 | C16 | C23 | N11 | 15.3° | 5.3° |
| H13 | C13 | C16 | C23 | 5.1° | 0.2° |
| H13 | C13 | C16 | N5 | 174.3° | 180.0° |
| C14 | N5 | C15 | C16 | 176.8° | 179.9° |
| C14 | N5 | C15 | H151 | 180.0° | 85.4° |
| C14 | N5 | C15 | H152 | 54.7° | 154.4° |
| C14 | N5 | C15 | H153 | 54.7° | 34.6° |
| C14 | N5 | C16 | C23 | 174.3° | 180.0° |
| H14 | C14 | N5 | C15 | 2.0° | 0.0° |
| H14 | C14 | N5 | C16 | 175.4° | 180.0° |
| N5 | C15 | H151 | H152 | 125.3° | 120.0° |
| N5 | C15 | H151 | H153 | 125.2° | 119.9° |
| N5 | C15 | H152 | H153 | 113.3° | 119.9° |
| C15 | N5 | C16 | C23 | 2.9° | 0.1° |
| H151 | C15 | H152 | H153 | 113.4° | 120.1° |
| H151 | C15 | N5 | C16 | 3.2° | 94.5° |
| H152 | C15 | N5 | C16 | 128.5° | 25.7° |
| H153 | C15 | N5 | C16 | 122.0° | 145.5° |
| C16 | C23 | O3 | N11 | 174.2° | 180.0° |
| C16 | C23 | N11 | C29 | 165.2° | 174.9° |
| C16 | C23 | N11 | H11 | 14.8° | 5.1° |
| N5 | C16 | C23 | O3 | 10.2° | 5.2° |
| N5 | C16 | C23 | N11 | 164.1° | 174.9° |
| C19 | C18 | N6 | H181 | 125.3° | 120.1° |
| C19 | C18 | N6 | H182 | 125.3° | 120.0° |
| C19 | C18 | H181 | H182 | 116.9° | 120.0° |
| C18 | C19 | C20 | H191 | 125.2° | 120.0° |
| C18 | C19 | C20 | H192 | 125.3° | 120.0° |
| C18 | C19 | H191 | H192 | 116.4° | 120.0° |
| C18 | C19 | C20 | N7 | 117.5° | 180.0° |
| C18 | C19 | C20 | H201 | 7.8° | 60.0° |
| C18 | C19 | C20 | H202 | 117.2° | 60.0° |
| C19 | C18 | N6 | C31 | 35.0° | 180.0° |
| C19 | C18 | N6 | HN6 | 145.0° | 0.0° |
| N6 | C18 | H181 | H182 | 116.8° | 120.0° |
| N6 | C18 | C19 | C20 | 144.8° | 180.0° |
| N6 | C18 | C19 | H191 | 90.0° | 60.0° |
| N6 | C18 | C19 | H192 | 19.5° | 60.0° |
| C18 | N6 | C31 | C30 | 179.4° | 180.0° |
| C18 | N6 | C31 | O5 | 0.8° | 0.0° |
| C18 | N6 | C31 | HN6 | 180.0° | 180.0° |
| H181 | C18 | C19 | C20 | 90.0° | 60.0° |
| H181 | C18 | C19 | H191 | 35.2° | 180.0° |
| H181 | C18 | C19 | H192 | 144.7° | 60.0° |
| H181 | C18 | N6 | C31 | 160.2° | 59.9° |
| H181 | C18 | N6 | HN6 | 19.8° | 120.1° |
| H182 | C18 | C19 | C20 | 19.5° | 59.9° |
| H182 | C18 | C19 | H191 | 144.8° | 60.1° |
| H182 | C18 | C19 | H192 | 105.8° | 180.0° |
| H182 | C18 | N6 | C31 | 90.3° | 60.0° |
| H182 | C18 | N6 | HN6 | 89.7° | 120.0° |
| C20 | C19 | H191 | H192 | 116.5° | 120.0° |
| C19 | C20 | N7 | H201 | 125.2° | 120.0° |
| C19 | C20 | N7 | H202 | 125.2° | 120.0° |
| C19 | C20 | H201 | H202 | 113.4° | 120.0° |
| C19 | C20 | N7 | C21 | 47.1° | 65.0° |
| C19 | C20 | N7 | C22 | 83.9° | 175.0° |
| C19 | C20 | N7 | HN7 | 162.3° | 55.0° |
| H191 | C19 | C20 | N7 | 117.3° | 60.0° |
| H191 | C19 | C20 | H201 | 117.5° | 180.0° |
| H191 | C19 | C20 | H202 | 8.0° | 60.0° |
| H192 | C19 | C20 | N7 | 7.7° | 60.0° |
| H192 | C19 | C20 | H201 | 133.0° | 60.0° |
| H192 | C19 | C20 | H202 | 117.5° | 180.0° |
| N7 | C20 | H201 | H202 | 113.4° | 120.0° |
| C20 | N7 | C21 | C22 | 131.2° | 120.0° |
| C20 | N7 | C21 | HN7 | 114.8° | 120.1° |
| C20 | N7 | C21 | H211 | 180.0° | 60.0° |
| C20 | N7 | C21 | H212 | 54.7° | 60.0° |
| C20 | N7 | C21 | H213 | 54.7° | 180.0° |
| C20 | N7 | C22 | HN7 | 114.5° | 120.0° |
| C20 | N7 | C22 | H221 | 180.0° | 60.0° |
| C20 | N7 | C22 | H222 | 54.7° | 180.0° |
| C20 | N7 | C22 | H223 | 54.7° | 60.0° |
| H201 | C20 | N7 | C21 | 172.3° | 55.0° |
| H201 | C20 | N7 | C22 | 41.3° | 65.0° |
| H201 | C20 | N7 | HN7 | 72.5° | 175.0° |
| H202 | C20 | N7 | C21 | 78.2° | 175.0° |
| H202 | C20 | N7 | C22 | 150.9° | 55.0° |
| H202 | C20 | N7 | HN7 | 37.0° | 65.0° |
| N7 | C21 | H211 | H212 | 125.3° | 120.0° |
| N7 | C21 | H211 | H213 | 125.3° | 120.0° |
| N7 | C21 | H212 | H213 | 116.9° | 120.0° |
| C21 | N7 | C22 | HN7 | 115.0° | 119.9° |
| C21 | N7 | C22 | H221 | 49.5° | 180.0° |
| C21 | N7 | C22 | H222 | 75.8° | 60.0° |
| C21 | N7 | C22 | H223 | 174.8° | 60.1° |
| H211 | C21 | H212 | H213 | 116.9° | 120.0° |
| H211 | C21 | N7 | C22 | 48.8° | 180.0° |
| H211 | C21 | N7 | HN7 | 65.2° | 60.1° |
| H212 | C21 | N7 | C22 | 174.1° | 60.0° |
| H212 | C21 | N7 | HN7 | 60.1° | 180.0° |
| H213 | C21 | N7 | C22 | 76.5° | 60.0° |
| H213 | C21 | N7 | HN7 | 169.6° | 60.0° |
| N7 | C22 | H221 | H222 | 125.3° | 120.1° |
| N7 | C22 | H221 | H223 | 125.3° | 119.9° |
| N7 | C22 | H222 | H223 | 116.5° | 120.0° |
| H221 | C22 | H222 | H223 | 116.4° | 120.0° |
| H221 | C22 | N7 | HN7 | 65.5° | 60.1° |
| H222 | C22 | N7 | HN7 | 169.2° | 60.0° |
| H223 | C22 | N7 | HN7 | 59.8° | 180.0° |
| O3 | C23 | N11 | C29 | 9.0° | 5.1° |
| O3 | C23 | N11 | H11 | 170.9° | 174.9° |
| C23 | N11 | C29 | C30 | 123.5° | 180.0° |
| C23 | N11 | C29 | H11 | 179.9° | 180.0° |
| C23 | N11 | C29 | H291 | 1.8° | 60.0° |
| C23 | N11 | C29 | H292 | 111.4° | 60.0° |
| C25 | C24 | O4 | N8 | 179.1° | 180.0° |
| C24 | C25 | N9 | N10 | 173.9° | 179.6° |
| C24 | C25 | N10 | C26 | 172.0° | 180.0° |
| C24 | C25 | N9 | C27 | 172.6° | 180.0° |
| C24 | C25 | N9 | C28 | 14.6° | 0.3° |
| C25 | C24 | N8 | HN8 | 0.3° | 0.0° |
| O4 | C24 | C25 | N9 | 9.9° | 0.5° |
| O4 | C24 | C25 | N10 | 177.0° | 180.0° |
| O4 | C24 | N8 | HN8 | 179.3° | 180.0° |
| N8 | C24 | C25 | N9 | 171.1° | 179.6° |
| N8 | C24 | C25 | N10 | 2.1° | 0.0° |
| C25 | N9 | C27 | C26 | 0.1° | 0.3° |
| N9 | C25 | N10 | C26 | 2.0° | 0.4° |
| C25 | N9 | C27 | C28 | 173.7° | 179.7° |
| C25 | N9 | C27 | H27 | 179.9° | 179.8° |
| C25 | N9 | C28 | H281 | 180.0° | 90.3° |
| C25 | N9 | C28 | H282 | 54.7° | 29.6° |
| C25 | N9 | C28 | H283 | 54.7° | 149.7° |
| C25 | N10 | C26 | C27 | 1.9° | 0.2° |
| C25 | N10 | C26 | H26 | 178.1° | 179.8° |
| N10 | C25 | N9 | C27 | 1.3° | 0.4° |
| N10 | C25 | N9 | C28 | 171.5° | 179.9° |
| C27 | C26 | N10 | H26 | 180.0° | 179.9° |
| C26 | C27 | N9 | H27 | 180.0° | 180.0° |
| C26 | C27 | N9 | C28 | 173.7° | 180.0° |
| N10 | C26 | C27 | N9 | 1.2° | 0.1° |
| N10 | C26 | C27 | H27 | 178.9° | 180.0° |
| H26 | C26 | C27 | N9 | 178.8° | 180.0° |
| H26 | C26 | C27 | H27 | 1.1° | 0.0° |
| C27 | N9 | C28 | H281 | 8.2° | 90.0° |
| C27 | N9 | C28 | H282 | 117.1° | 150.0° |
| C27 | N9 | C28 | H283 | 133.4° | 29.9° |
| H27 | C27 | N9 | C28 | 6.4° | 0.1° |
| N9 | C28 | H281 | H282 | 125.2° | 120.0° |
| N9 | C28 | H281 | H283 | 125.3° | 120.0° |
| N9 | C28 | H282 | H283 | 109.3° | 120.1° |
| H281 | C28 | H282 | H283 | 109.4° | 120.0° |
| C30 | C29 | N11 | H291 | 125.2° | 120.0° |
| C30 | C29 | N11 | H292 | 125.2° | 120.0° |
| C30 | C29 | H291 | H292 | 118.7° | 120.0° |
| C29 | C30 | C31 | H301 | 125.3° | 120.0° |
| C29 | C30 | C31 | H302 | 125.3° | 120.0° |
| C29 | C30 | H301 | H302 | 111.3° | 120.0° |
| C29 | C30 | C31 | O5 | 14.0° | 0.0° |
| C29 | C30 | C31 | N6 | 164.6° | 180.0° |
| C30 | C29 | N11 | H11 | 56.5° | 0.0° |
| N11 | C29 | H291 | H292 | 118.8° | 120.1° |
| N11 | C29 | C30 | C31 | 145.1° | 180.0° |
| N11 | C29 | C30 | H301 | 19.8° | 60.1° |
| N11 | C29 | C30 | H302 | 89.6° | 60.0° |
| H291 | C29 | C30 | C31 | 19.8° | 60.0° |
| H291 | C29 | C30 | H301 | 105.5° | 180.0° |
| H291 | C29 | C30 | H302 | 145.1° | 60.0° |
| H291 | C29 | N11 | H11 | 178.3° | 120.0° |
| H292 | C29 | C30 | C31 | 89.7° | 60.0° |
| H292 | C29 | C30 | H301 | 145.0° | 59.9° |
| H292 | C29 | C30 | H302 | 35.6° | 180.0° |
| H292 | C29 | N11 | H11 | 68.7° | 120.0° |
| C31 | C30 | H301 | H302 | 111.3° | 120.0° |
| C30 | C31 | O5 | N6 | 178.5° | 180.0° |
| C30 | C31 | N6 | HN6 | 0.6° | 0.0° |
| H301 | C30 | C31 | O5 | 111.3° | 120.0° |
| H301 | C30 | C31 | N6 | 70.1° | 60.0° |
| H302 | C30 | C31 | O5 | 139.3° | 120.0° |
| H302 | C30 | C31 | N6 | 39.3° | 60.0° |
| O5 | C31 | N6 | HN6 | 179.2° | 180.0° |
