AKP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.56Å | |
| C1 | C3 | sing | 1.53Å | 1.55Å | |
| C1 | N7 | sing | 1.46Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.11Å | |
| C2 | O1 | sing | 1.43Å | 1.41Å | |
| C2 | C11 | sing | 1.51Å | 1.54Å | |
| C2 | O15 | sing | 1.43Å | 1.42Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C3 | C4 | sing | 1.51Å | 1.52Å | |
| C3 | H31A | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | doub | 1.31Å | 1.35Å | |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | H51 | sing | 1.08Å | 1.10Å | |
| C5 | H52 | sing | 1.08Å | 1.10Å | |
| N1 | C6 | sing | 1.46Å | 1.48Å | |
| N1 | C11 | sing | 1.35Å | 1.34Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C6 | C7 | sing | 1.51Å | 1.57Å | |
| C6 | C8 | sing | 1.53Å | 1.56Å | |
| C6 | H6 | sing | 1.09Å | 1.11Å | |
| C7 | O2 | doub | 1.34Å | 1.22Å | |
| C7 | O3 | sing | 1.21Å | 1.22Å | |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C9 | C10 | doub | 1.38Å | 1.42Å | Aromatic |
| C9 | C39 | sing | 1.38Å | 1.42Å | Aromatic |
| O3 | HO3 | sing | 7.41Å | 0.95Å | |
| C10 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | O5 | doub | 1.21Å | 1.21Å | |
| C12 | N3 | sing | 1.32Å | 1.37Å | Aromatic |
| C12 | C37 | doub | 1.39Å | 1.42Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| N3 | C13 | doub | 1.32Å | 1.37Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.43Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | sing | 1.48Å | 1.48Å | |
| C14 | N2 | doub | 1.33Å | 1.38Å | Aromatic |
| C15 | O9 | doub | 1.22Å | 1.25Å | |
| C15 | N4 | sing | 1.35Å | 1.38Å | |
| N4 | C16 | sing | 1.47Å | 1.49Å | |
| N4 | HN4 | sing | 0.97Å | 1.02Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C16 | C18 | sing | 1.53Å | 1.55Å | |
| C16 | H16 | sing | 1.09Å | 1.11Å | |
| C17 | O12 | doub | 1.21Å | 1.23Å | |
| C17 | N5 | sing | 1.35Å | 1.35Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| C19 | C28 | sing | 1.53Å | 1.54Å | |
| C19 | C29 | sing | 1.53Å | 1.54Å | |
| C19 | H19 | sing | 1.09Å | 1.11Å | |
| N5 | C20 | sing | 1.46Å | 1.49Å | |
| N5 | HN5 | sing | 0.97Å | 1.02Å | |
| C20 | C21 | sing | 1.51Å | 1.58Å | |
| C20 | C22 | sing | 1.53Å | 1.56Å | |
| C20 | H20 | sing | 1.09Å | 1.12Å | |
| C21 | O13 | doub | 1.21Å | 1.22Å | |
| C21 | N6 | sing | 1.35Å | 1.34Å | |
| C22 | C23 | sing | 1.53Å | 1.56Å | |
| C22 | C24 | sing | 1.53Å | 1.57Å | |
| C22 | H22 | sing | 1.09Å | 1.11Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C23 | H233 | sing | 1.09Å | 1.11Å | |
| C24 | C30 | sing | 1.53Å | 1.55Å | |
| C24 | H241 | sing | 1.09Å | 1.12Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| N6 | C25 | sing | 1.47Å | 1.45Å | |
| N6 | HN6 | sing | 0.97Å | 1.02Å | |
| C25 | C26 | sing | 1.51Å | 1.53Å | |
| C25 | C27 | sing | 1.53Å | 1.53Å | |
| C25 | H25 | sing | 1.09Å | 1.12Å | |
| C26 | O14 | doub | 1.21Å | 1.22Å | |
| C26 | N7 | sing | 1.35Å | 1.32Å | |
| C27 | C31 | sing | 1.53Å | 1.53Å | |
| C27 | H271 | sing | 1.09Å | 1.12Å | |
| C27 | H272 | sing | 1.09Å | 1.11Å | |
| N7 | HN7 | sing | 0.97Å | 1.02Å | |
| C28 | H281 | sing | 1.09Å | 1.12Å | |
| C28 | H282 | sing | 1.09Å | 1.12Å | |
| C28 | H283 | sing | 1.09Å | 1.11Å | |
| C29 | H291 | sing | 1.09Å | 1.11Å | |
| C29 | H292 | sing | 1.09Å | 1.12Å | |
| C29 | H293 | sing | 1.09Å | 1.12Å | |
| C30 | H301 | sing | 1.09Å | 1.12Å | |
| C30 | H302 | sing | 1.09Å | 1.12Å | |
| C30 | H303 | sing | 1.09Å | 1.11Å | |
| C31 | C32 | sing | 1.53Å | 1.56Å | |
| C31 | C33 | sing | 1.53Å | 1.55Å | |
| C31 | H31 | sing | 1.09Å | 1.11Å | |
| C32 | C34 | sing | 1.53Å | 1.55Å | |
| C32 | H321 | sing | 1.09Å | 1.12Å | |
| C32 | H322 | sing | 1.09Å | 1.11Å | |
| C33 | C35 | sing | 1.53Å | 1.54Å | |
| C33 | H331 | sing | 1.09Å | 1.11Å | |
| C33 | H332 | sing | 1.09Å | 1.12Å | |
| C34 | C36 | sing | 1.53Å | 1.55Å | |
| C34 | H341 | sing | 1.09Å | 1.11Å | |
| C34 | H342 | sing | 1.09Å | 1.12Å | |
| C35 | C36 | sing | 1.53Å | 1.55Å | |
| C35 | H351 | sing | 1.09Å | 1.12Å | |
| C35 | H352 | sing | 1.09Å | 1.11Å | |
| C36 | H361 | sing | 1.09Å | 1.12Å | |
| C36 | H362 | sing | 1.09Å | 1.11Å | |
| C37 | N2 | sing | 1.32Å | 1.39Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.10Å | |
| C39 | C41 | doub | 1.38Å | 1.41Å | Aromatic |
| C39 | H39 | sing | 1.08Å | 1.10Å | |
| C38 | C40 | doub | 1.39Å | 1.41Å | Aromatic |
| C38 | H38 | sing | 1.08Å | 1.10Å | |
| C40 | C41 | sing | 1.39Å | 1.42Å | Aromatic |
| C40 | O6 | sing | 1.36Å | 1.41Å | |
| C41 | H41 | sing | 1.08Å | 1.10Å | |
| O6 | P1 | sing | 1.61Å | 1.58Å | |
| P1 | O8 | doub | 1.61Å | 1.56Å | |
| P1 | O10 | sing | 1.61Å | 1.56Å | |
| P1 | O7 | sing | 1.48Å | 1.56Å | |
| O10 | H2 | sing | 0.97Å | 0.95Å | |
| O7 | HO7 | sing | 9.58Å | 0.95Å | |
| O15 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 119.4° | 109.5° |
| C2 | C1 | N7 | 102.1° | 109.5° |
| C2 | C1 | H1 | 108.4° | 109.4° |
| C1 | C2 | O1 | 111.5° | 109.4° |
| C1 | C2 | C11 | 106.4° | 109.5° |
| C1 | C2 | O15 | 108.0° | 109.5° |
| C3 | C1 | N7 | 110.6° | 109.5° |
| C3 | C1 | H1 | 99.6° | 109.5° |
| C1 | C3 | C4 | 114.8° | 109.5° |
| C1 | C3 | H31A | 110.3° | 109.4° |
| C1 | C3 | H32 | 110.3° | 109.5° |
| N7 | C1 | H1 | 117.6° | 109.4° |
| C1 | N7 | C26 | 124.3° | 120.0° |
| C1 | N7 | HN7 | 122.4° | 120.0° |
| O1 | C2 | C11 | 115.6° | 109.5° |
| O1 | C2 | O15 | 103.3° | 109.5° |
| C2 | O1 | HO1 | 111.5° | 106.8° |
| C11 | C2 | O15 | 111.9° | 109.5° |
| C2 | C11 | N1 | 112.9° | 120.0° |
| C2 | C11 | O5 | 119.7° | 120.0° |
| C2 | O15 | H15 | 108.0° | 106.8° |
| C4 | C3 | H31A | 110.3° | 109.5° |
| C4 | C3 | H32 | 110.3° | 109.5° |
| C3 | C4 | C5 | 124.8° | 120.0° |
| C3 | C4 | H4 | 124.2° | 120.0° |
| H31A | C3 | H32 | 99.9° | 109.5° |
| C5 | C4 | H4 | 111.0° | 120.0° |
| C4 | C5 | H51 | 124.8° | 120.0° |
| C4 | C5 | H52 | 111.0° | 120.0° |
| H51 | C5 | H52 | 124.2° | 120.0° |
| C6 | N1 | C11 | 122.4° | 120.0° |
| C6 | N1 | HN1 | 123.9° | 120.0° |
| N1 | C6 | C7 | 108.8° | 109.5° |
| N1 | C6 | C8 | 109.2° | 109.5° |
| N1 | C6 | H6 | 111.1° | 109.4° |
| C11 | N1 | HN1 | 113.8° | 120.0° |
| N1 | C11 | O5 | 127.4° | 120.0° |
| C7 | C6 | C8 | 112.2° | 109.5° |
| C7 | C6 | H6 | 108.0° | 109.5° |
| C6 | C7 | O2 | 119.4° | 120.0° |
| C6 | C7 | O3 | 119.6° | 120.0° |
| C8 | C6 | H6 | 107.6° | 109.5° |
| C6 | C8 | C9 | 111.8° | 109.4° |
| C6 | C8 | H81 | 111.4° | 109.4° |
| C6 | C8 | H82 | 111.4° | 109.5° |
| O2 | C7 | O3 | 121.1° | 120.1° |
| C7 | O3 | HO3 | 119.5° | 118.0° |
| C9 | C8 | H81 | 111.4° | 109.5° |
| C9 | C8 | H82 | 111.3° | 109.5° |
| C8 | C9 | C10 | 120.3° | 119.9° |
| C8 | C9 | C39 | 120.5° | 119.9° |
| H81 | C8 | H82 | 99.0° | 109.4° |
| C10 | C9 | C39 | 119.2° | 120.1° |
| C9 | C10 | C38 | 121.0° | 120.1° |
| C9 | C10 | H10 | 120.5° | 120.0° |
| C9 | C39 | C41 | 120.3° | 120.0° |
| C9 | C39 | H39 | 120.2° | 120.0° |
| C38 | C10 | H10 | 118.5° | 119.9° |
| C10 | C38 | C40 | 119.2° | 119.9° |
| C10 | C38 | H38 | 119.8° | 120.1° |
| N3 | C12 | C37 | 120.7° | 120.2° |
| N3 | C12 | H12 | 117.7° | 119.9° |
| C12 | N3 | C13 | 118.2° | 120.1° |
| C37 | C12 | H12 | 121.5° | 119.9° |
| C12 | C37 | N2 | 121.6° | 120.2° |
| C12 | C37 | H37 | 120.6° | 119.9° |
| N3 | C13 | C14 | 121.6° | 119.9° |
| N3 | C13 | H13 | 117.0° | 120.1° |
| C14 | C13 | H13 | 121.4° | 120.0° |
| C13 | C14 | C15 | 118.8° | 120.1° |
| C13 | C14 | N2 | 120.5° | 119.8° |
| C15 | C14 | N2 | 120.7° | 120.1° |
| C14 | C15 | O9 | 122.0° | 120.0° |
| C14 | C15 | N4 | 115.9° | 120.0° |
| C14 | N2 | C37 | 117.4° | 119.9° |
| O9 | C15 | N4 | 122.1° | 120.0° |
| C15 | N4 | C16 | 120.7° | 120.0° |
| C15 | N4 | HN4 | 115.8° | 120.0° |
| C16 | N4 | HN4 | 123.5° | 120.0° |
| N4 | C16 | C17 | 108.4° | 109.5° |
| N4 | C16 | C18 | 113.6° | 109.5° |
| N4 | C16 | H16 | 106.6° | 109.5° |
| C17 | C16 | C18 | 107.0° | 109.5° |
| C17 | C16 | H16 | 113.3° | 109.4° |
| C16 | C17 | O12 | 120.6° | 120.0° |
| C16 | C17 | N5 | 114.2° | 120.0° |
| C18 | C16 | H16 | 108.0° | 109.5° |
| C16 | C18 | C19 | 119.1° | 109.4° |
| C16 | C18 | H181 | 108.8° | 109.4° |
| C16 | C18 | H182 | 108.7° | 109.5° |
| O12 | C17 | N5 | 125.2° | 120.0° |
| C17 | N5 | C20 | 120.8° | 120.0° |
| C17 | N5 | HN5 | 114.5° | 120.0° |
| C19 | C18 | H181 | 108.8° | 109.5° |
| C19 | C18 | H182 | 108.8° | 109.5° |
| C18 | C19 | C28 | 111.9° | 109.5° |
| C18 | C19 | C29 | 110.1° | 109.5° |
| C18 | C19 | H19 | 107.0° | 109.5° |
| H181 | C18 | H182 | 101.3° | 109.5° |
| C28 | C19 | C29 | 108.4° | 109.5° |
| C28 | C19 | H19 | 108.8° | 109.5° |
| C19 | C28 | H281 | 111.3° | 109.5° |
| C19 | C28 | H282 | 111.9° | 109.5° |
| C19 | C28 | H283 | 111.3° | 109.5° |
| C29 | C19 | H19 | 110.7° | 109.4° |
| C19 | C29 | H291 | 112.0° | 109.5° |
| C19 | C29 | H292 | 110.1° | 109.5° |
| C19 | C29 | H293 | 112.0° | 109.5° |
| C20 | N5 | HN5 | 124.6° | 120.0° |
| N5 | C20 | C21 | 111.0° | 109.5° |
| N5 | C20 | C22 | 109.2° | 109.5° |
| N5 | C20 | H20 | 109.1° | 109.4° |
| C21 | C20 | C22 | 110.7° | 109.4° |
| C21 | C20 | H20 | 107.5° | 109.5° |
| C20 | C21 | O13 | 121.4° | 120.0° |
| C20 | C21 | N6 | 112.6° | 120.0° |
| C22 | C20 | H20 | 109.4° | 109.5° |
| C20 | C22 | C23 | 111.9° | 109.4° |
| C20 | C22 | C24 | 109.9° | 109.5° |
| C20 | C22 | H22 | 107.9° | 109.5° |
| O13 | C21 | N6 | 126.0° | 120.0° |
| C21 | N6 | C25 | 122.7° | 120.0° |
| C21 | N6 | HN6 | 114.4° | 119.9° |
| C23 | C22 | C24 | 110.6° | 109.4° |
| C23 | C22 | H22 | 107.2° | 109.5° |
| C22 | C23 | H231 | 111.3° | 109.5° |
| C22 | C23 | H232 | 111.9° | 109.5° |
| C22 | C23 | H233 | 111.3° | 109.5° |
| C24 | C22 | H22 | 109.3° | 109.5° |
| C22 | C24 | C30 | 116.6° | 109.5° |
| C22 | C24 | H241 | 109.7° | 109.5° |
| C22 | C24 | H242 | 109.6° | 109.5° |
| H231 | C23 | H232 | 111.3° | 109.4° |
| H231 | C23 | H233 | 99.1° | 109.5° |
| H232 | C23 | H233 | 111.3° | 109.5° |
| C30 | C24 | H241 | 109.6° | 109.4° |
| C30 | C24 | H242 | 109.6° | 109.5° |
| C24 | C30 | H301 | 109.7° | 109.5° |
| C24 | C30 | H302 | 116.5° | 109.5° |
| C24 | C30 | H303 | 109.7° | 109.5° |
| H241 | C24 | H242 | 100.5° | 109.4° |
| C25 | N6 | HN6 | 122.9° | 120.0° |
| N6 | C25 | C26 | 106.9° | 109.5° |
| N6 | C25 | C27 | 106.9° | 109.5° |
| N6 | C25 | H25 | 113.4° | 109.4° |
| C26 | C25 | C27 | 111.3° | 109.5° |
| C26 | C25 | H25 | 109.2° | 109.5° |
| C25 | C26 | O14 | 122.4° | 120.0° |
| C25 | C26 | N7 | 111.9° | 120.0° |
| C27 | C25 | H25 | 109.2° | 109.4° |
| C25 | C27 | C31 | 115.1° | 109.5° |
| C25 | C27 | H271 | 110.1° | 109.5° |
| C25 | C27 | H272 | 110.1° | 109.5° |
| O14 | C26 | N7 | 125.6° | 120.0° |
| C26 | N7 | HN7 | 113.4° | 120.0° |
| C31 | C27 | H271 | 110.1° | 109.4° |
| C31 | C27 | H272 | 110.2° | 109.5° |
| C27 | C31 | C32 | 110.1° | 109.5° |
| C27 | C31 | C33 | 112.6° | 109.5° |
| C27 | C31 | H31 | 106.9° | 109.5° |
| H271 | C27 | H272 | 100.1° | 109.5° |
| H281 | C28 | H282 | 111.3° | 109.5° |
| H281 | C28 | H283 | 99.0° | 109.4° |
| H282 | C28 | H283 | 111.3° | 109.5° |
| H291 | C29 | H292 | 112.0° | 109.4° |
| H291 | C29 | H293 | 98.4° | 109.5° |
| H292 | C29 | H293 | 111.9° | 109.5° |
| H301 | C30 | H302 | 109.6° | 109.5° |
| H301 | C30 | H303 | 100.5° | 109.4° |
| H302 | C30 | H303 | 109.7° | 109.5° |
| C32 | C31 | C33 | 109.6° | 109.5° |
| C32 | C31 | H31 | 110.1° | 109.4° |
| C31 | C32 | C34 | 112.3° | 109.5° |
| C31 | C32 | H321 | 111.2° | 109.5° |
| C31 | C32 | H322 | 111.2° | 109.5° |
| C33 | C31 | H31 | 107.5° | 109.5° |
| C31 | C33 | C35 | 111.1° | 109.5° |
| C31 | C33 | H331 | 111.6° | 109.5° |
| C31 | C33 | H332 | 111.6° | 109.4° |
| C34 | C32 | H321 | 111.2° | 109.5° |
| C34 | C32 | H322 | 111.2° | 109.4° |
| C32 | C34 | C36 | 111.8° | 109.5° |
| C32 | C34 | H341 | 111.3° | 109.5° |
| C32 | C34 | H342 | 111.3° | 109.4° |
| H321 | C32 | H322 | 99.2° | 109.5° |
| C35 | C33 | H331 | 111.6° | 109.5° |
| C35 | C33 | H332 | 111.6° | 109.5° |
| C33 | C35 | C36 | 111.2° | 109.5° |
| C33 | C35 | H351 | 111.5° | 109.5° |
| C33 | C35 | H352 | 111.5° | 109.5° |
| H331 | C33 | H332 | 98.8° | 109.5° |
| C36 | C34 | H341 | 111.3° | 109.5° |
| C36 | C34 | H342 | 111.4° | 109.5° |
| C34 | C36 | C35 | 111.4° | 109.5° |
| C34 | C36 | H361 | 111.5° | 109.5° |
| C34 | C36 | H362 | 111.5° | 109.5° |
| H341 | C34 | H342 | 99.0° | 109.5° |
| C36 | C35 | H351 | 111.6° | 109.5° |
| C36 | C35 | H352 | 111.6° | 109.5° |
| C35 | C36 | H361 | 111.5° | 109.5° |
| C35 | C36 | H362 | 111.5° | 109.5° |
| H351 | C35 | H352 | 98.9° | 109.4° |
| H361 | C36 | H362 | 98.8° | 109.5° |
| N2 | C37 | H37 | 117.8° | 120.0° |
| C41 | C39 | H39 | 119.5° | 120.0° |
| C39 | C41 | C40 | 119.1° | 120.0° |
| C39 | C41 | H41 | 120.2° | 120.0° |
| C40 | C38 | H38 | 120.9° | 120.0° |
| C38 | C40 | C41 | 121.2° | 119.9° |
| C38 | C40 | O6 | 120.1° | 120.0° |
| C41 | C40 | O6 | 118.6° | 120.1° |
| C40 | C41 | H41 | 120.7° | 120.0° |
| C40 | O6 | P1 | 125.2° | 106.8° |
| O6 | P1 | O8 | 110.4° | 109.5° |
| O6 | P1 | O10 | 104.6° | 109.5° |
| O6 | P1 | O7 | 106.9° | 109.5° |
| O8 | P1 | O10 | 110.4° | 109.5° |
| O8 | P1 | O7 | 111.4° | 109.4° |
| O10 | P1 | O7 | 112.9° | 109.5° |
| P1 | O10 | H2 | 104.6° | 106.8° |
| P1 | O7 | HO7 | 106.9° | 118.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | N7 | 118.0° | 120.0° |
| C2 | C1 | C3 | H1 | 117.6° | 120.0° |
| C2 | C1 | N7 | H1 | 118.5° | 119.9° |
| C1 | C2 | O1 | C11 | 121.7° | 119.9° |
| C1 | C2 | O1 | O15 | 115.7° | 120.0° |
| C1 | C2 | C11 | O15 | 117.7° | 120.0° |
| C1 | C2 | O1 | HO1 | 180.0° | 60.0° |
| C2 | C1 | C3 | C4 | 161.7° | 175.0° |
| C2 | C1 | C3 | H31A | 36.4° | 65.0° |
| C2 | C1 | C3 | H32 | 73.1° | 54.9° |
| C1 | C2 | C11 | N1 | 98.7° | 55.0° |
| C1 | C2 | C11 | O5 | 80.2° | 125.0° |
| C2 | C1 | N7 | C26 | 142.9° | 155.0° |
| C2 | C1 | N7 | HN7 | 37.1° | 25.1° |
| C1 | C2 | O15 | H15 | 180.0° | 60.0° |
| C3 | C1 | N7 | H1 | 113.4° | 120.0° |
| C3 | C1 | C2 | O1 | 124.2° | 55.0° |
| C3 | C1 | C2 | C11 | 108.9° | 65.0° |
| C3 | C1 | C2 | O15 | 11.5° | 175.0° |
| C1 | C3 | C4 | H31A | 125.3° | 120.0° |
| C1 | C3 | C4 | H32 | 125.3° | 120.0° |
| C1 | C3 | H31A | H32 | 116.1° | 119.9° |
| C1 | C3 | C4 | C5 | 83.8° | 125.0° |
| C1 | C3 | C4 | H4 | 96.2° | 55.0° |
| C3 | C1 | N7 | C26 | 89.0° | 84.9° |
| C3 | C1 | N7 | HN7 | 91.0° | 95.0° |
| N7 | C1 | C2 | O1 | 2.0° | 65.1° |
| N7 | C1 | C2 | C11 | 128.9° | 175.0° |
| N7 | C1 | C2 | O15 | 110.8° | 55.0° |
| N7 | C1 | C3 | C4 | 80.4° | 65.0° |
| N7 | C1 | C3 | H31A | 154.3° | 55.0° |
| N7 | C1 | C3 | H32 | 44.9° | 175.0° |
| C1 | N7 | C26 | C25 | 140.5° | 180.0° |
| C1 | N7 | C26 | O14 | 39.5° | 0.1° |
| C1 | N7 | C26 | HN7 | 180.0° | 179.9° |
| H1 | C1 | C2 | O1 | 122.8° | 175.0° |
| H1 | C1 | C2 | C11 | 4.0° | 55.1° |
| H1 | C1 | C2 | O15 | 124.4° | 65.0° |
| H1 | C1 | C3 | C4 | 44.1° | 55.0° |
| H1 | C1 | C3 | H31A | 81.2° | 175.0° |
| H1 | C1 | C3 | H32 | 169.4° | 65.0° |
| H1 | C1 | N7 | C26 | 24.5° | 35.1° |
| H1 | C1 | N7 | HN7 | 155.6° | 145.0° |
| O1 | C2 | C11 | O15 | 117.9° | 120.1° |
| O1 | C2 | C11 | N1 | 25.7° | 175.0° |
| O1 | C2 | C11 | O5 | 155.4° | 5.1° |
| O1 | C2 | O15 | H15 | 61.8° | 180.0° |
| C11 | C2 | O1 | HO1 | 58.3° | 59.9° |
| C2 | C11 | N1 | C6 | 171.3° | 180.0° |
| C2 | C11 | N1 | O5 | 178.9° | 180.0° |
| C2 | C11 | N1 | HN1 | 8.8° | 0.0° |
| C11 | C2 | O15 | H15 | 63.2° | 60.0° |
| O15 | C2 | O1 | HO1 | 64.3° | 180.0° |
| O15 | C2 | C11 | N1 | 143.5° | 65.0° |
| O15 | C2 | C11 | O5 | 37.5° | 115.0° |
| C4 | C3 | H31A | H32 | 116.1° | 120.1° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | H51 | 180.0° | 0.0° |
| C3 | C4 | C5 | H52 | 0.0° | 180.0° |
| H31A | C3 | C4 | C5 | 41.5° | 5.1° |
| H31A | C3 | C4 | H4 | 138.5° | 175.0° |
| H32 | C3 | C4 | C5 | 150.9° | 115.0° |
| H32 | C3 | C4 | H4 | 29.1° | 65.0° |
| C4 | C5 | H51 | H52 | 180.0° | 180.0° |
| H4 | C4 | C5 | H51 | 0.0° | 180.0° |
| H4 | C4 | C5 | H52 | 180.0° | 0.0° |
| C6 | N1 | C11 | HN1 | 180.0° | 180.0° |
| N1 | C6 | C7 | C8 | 121.0° | 120.1° |
| N1 | C6 | C7 | H6 | 120.7° | 120.0° |
| N1 | C6 | C8 | H6 | 120.6° | 120.0° |
| N1 | C6 | C7 | O2 | 173.6° | 179.9° |
| N1 | C6 | C7 | O3 | 7.9° | 0.0° |
| N1 | C6 | C8 | C9 | 50.2° | 65.0° |
| N1 | C6 | C8 | H81 | 75.1° | 55.0° |
| N1 | C6 | C8 | H82 | 175.5° | 175.0° |
| C6 | N1 | C11 | O5 | 7.6° | 0.0° |
| C11 | N1 | C6 | C7 | 74.0° | 85.0° |
| C11 | N1 | C6 | C8 | 163.2° | 155.0° |
| C11 | N1 | C6 | H6 | 44.7° | 35.0° |
| HN1 | N1 | C6 | C7 | 106.0° | 95.0° |
| HN1 | N1 | C6 | C8 | 16.8° | 25.0° |
| HN1 | N1 | C6 | H6 | 135.3° | 145.0° |
| HN1 | N1 | C11 | O5 | 172.4° | 180.0° |
| C7 | C6 | C8 | H6 | 118.6° | 120.0° |
| C6 | C7 | O2 | O3 | 178.4° | 180.0° |
| C7 | C6 | C8 | C9 | 70.5° | 175.0° |
| C7 | C6 | C8 | H81 | 164.2° | 65.0° |
| C7 | C6 | C8 | H82 | 54.8° | 55.0° |
| C6 | C7 | O3 | HO3 | 180.0° | 20.2° |
| C8 | C6 | C7 | O2 | 65.4° | 60.0° |
| C8 | C6 | C7 | O3 | 113.0° | 120.0° |
| C6 | C8 | C9 | H81 | 125.3° | 120.0° |
| C6 | C8 | C9 | H82 | 125.3° | 120.0° |
| C6 | C8 | H81 | H82 | 117.2° | 120.0° |
| C6 | C8 | C9 | C10 | 78.6° | 90.0° |
| C6 | C8 | C9 | C39 | 100.7° | 90.3° |
| H6 | C6 | C7 | O2 | 53.0° | 60.0° |
| H6 | C6 | C7 | O3 | 128.6° | 120.0° |
| H6 | C6 | C8 | C9 | 170.8° | 55.0° |
| H6 | C6 | C8 | H81 | 45.6° | 175.0° |
| H6 | C6 | C8 | H82 | 63.9° | 65.0° |
| O2 | C7 | O3 | HO3 | 1.6° | 159.8° |
| C9 | C8 | H81 | H82 | 117.2° | 120.0° |
| C8 | C9 | C10 | C39 | 179.3° | 179.7° |
| C8 | C9 | C10 | C38 | 178.8° | 180.0° |
| C8 | C9 | C10 | H10 | 1.2° | 0.0° |
| C8 | C9 | C39 | C41 | 178.9° | 179.7° |
| C8 | C9 | C39 | H39 | 1.1° | 0.2° |
| H81 | C8 | C9 | C10 | 156.2° | 30.0° |
| H81 | C8 | C9 | C39 | 24.6° | 149.7° |
| H82 | C8 | C9 | C10 | 46.7° | 150.0° |
| H82 | C8 | C9 | C39 | 134.0° | 29.7° |
| C9 | C10 | C38 | H10 | 180.0° | 180.0° |
| C10 | C9 | C39 | C41 | 0.4° | 0.6° |
| C10 | C9 | C39 | H39 | 179.6° | 179.9° |
| C9 | C10 | C38 | C40 | 0.2° | 0.0° |
| C9 | C10 | C38 | H38 | 179.8° | 179.9° |
| C39 | C9 | C10 | C38 | 0.5° | 0.3° |
| C39 | C9 | C10 | H10 | 179.5° | 179.7° |
| C9 | C39 | C41 | H39 | 180.0° | 179.5° |
| C9 | C39 | C41 | C40 | 0.0° | 0.6° |
| C9 | C39 | C41 | H41 | 180.0° | 179.7° |
| C10 | C38 | C40 | H38 | 180.0° | 179.9° |
| C10 | C38 | C40 | C41 | 0.2° | 0.0° |
| C10 | C38 | C40 | O6 | 179.1° | 180.0° |
| H10 | C10 | C38 | C40 | 179.8° | 180.0° |
| H10 | C10 | C38 | H38 | 0.2° | 0.1° |
| N3 | C12 | C37 | H12 | 180.0° | 180.0° |
| C12 | N3 | C13 | C14 | 0.1° | 0.0° |
| C12 | N3 | C13 | H13 | 179.9° | 180.0° |
| N3 | C12 | C37 | N2 | 0.1° | 0.3° |
| N3 | C12 | C37 | H37 | 179.9° | 180.0° |
| C37 | C12 | N3 | C13 | 0.1° | 0.0° |
| C12 | C37 | N2 | C14 | 0.1° | 0.5° |
| C12 | C37 | N2 | H37 | 180.0° | 179.7° |
| H12 | C12 | N3 | C13 | 179.9° | 180.0° |
| H12 | C12 | C37 | N2 | 179.9° | 179.7° |
| H12 | C12 | C37 | H37 | 0.1° | 0.0° |
| N3 | C13 | C14 | H13 | 180.0° | 180.0° |
| N3 | C13 | C14 | C15 | 179.8° | 180.0° |
| N3 | C13 | C14 | N2 | 0.1° | 0.2° |
| C13 | C14 | C15 | N2 | 179.9° | 179.8° |
| C13 | C14 | C15 | O9 | 0.2° | 0.1° |
| C13 | C14 | C15 | N4 | 179.3° | 180.0° |
| C13 | C14 | N2 | C37 | 0.1° | 0.5° |
| H13 | C13 | C14 | C15 | 0.2° | 0.0° |
| H13 | C13 | C14 | N2 | 179.9° | 179.7° |
| C14 | C15 | O9 | N4 | 179.5° | 179.9° |
| C14 | C15 | N4 | C16 | 179.1° | 180.0° |
| C14 | C15 | N4 | HN4 | 0.9° | 0.0° |
| C15 | C14 | N2 | C37 | 179.9° | 179.7° |
| N2 | C14 | C15 | O9 | 179.9° | 179.7° |
| N2 | C14 | C15 | N4 | 0.5° | 0.2° |
| C14 | N2 | C37 | H37 | 179.9° | 179.8° |
| O9 | C15 | N4 | C16 | 0.5° | 0.1° |
| O9 | C15 | N4 | HN4 | 179.6° | 180.0° |
| C15 | N4 | C16 | HN4 | 180.0° | 180.0° |
| C15 | N4 | C16 | C17 | 96.5° | 155.0° |
| C15 | N4 | C16 | C18 | 144.7° | 85.0° |
| C15 | N4 | C16 | H16 | 25.8° | 35.1° |
| N4 | C16 | C17 | C18 | 122.9° | 120.0° |
| N4 | C16 | C17 | H16 | 118.1° | 120.0° |
| N4 | C16 | C18 | H16 | 118.1° | 120.0° |
| N4 | C16 | C17 | O12 | 80.1° | 0.1° |
| N4 | C16 | C17 | N5 | 98.8° | 180.0° |
| N4 | C16 | C18 | C19 | 61.0° | 65.0° |
| N4 | C16 | C18 | H181 | 173.7° | 55.0° |
| N4 | C16 | C18 | H182 | 64.3° | 175.0° |
| HN4 | N4 | C16 | C17 | 83.5° | 25.0° |
| HN4 | N4 | C16 | C18 | 35.3° | 95.0° |
| HN4 | N4 | C16 | H16 | 154.2° | 145.0° |
| C17 | C16 | C18 | H16 | 122.3° | 120.0° |
| C16 | C17 | O12 | N5 | 178.8° | 179.9° |
| C17 | C16 | C18 | C19 | 179.4° | 175.0° |
| C17 | C16 | C18 | H181 | 54.1° | 65.1° |
| C17 | C16 | C18 | H182 | 55.4° | 55.0° |
| C16 | C17 | N5 | C20 | 153.4° | 180.0° |
| C16 | C17 | N5 | HN5 | 26.6° | 0.1° |
| C18 | C16 | C17 | O12 | 42.8° | 120.0° |
| C18 | C16 | C17 | N5 | 138.3° | 59.9° |
| C16 | C18 | C19 | H181 | 125.3° | 119.9° |
| C16 | C18 | C19 | H182 | 125.2° | 120.0° |
| C16 | C18 | H181 | H182 | 114.4° | 120.0° |
| C16 | C18 | C19 | C28 | 68.4° | 175.0° |
| C16 | C18 | C19 | C29 | 171.0° | 65.0° |
| C16 | C18 | C19 | H19 | 50.7° | 54.9° |
| H16 | C16 | C17 | O12 | 161.7° | 120.0° |
| H16 | C16 | C17 | N5 | 19.4° | 60.1° |
| H16 | C16 | C18 | C19 | 57.1° | 55.0° |
| H16 | C16 | C18 | H181 | 68.2° | 175.0° |
| H16 | C16 | C18 | H182 | 177.6° | 65.0° |
| O12 | C17 | N5 | C20 | 27.8° | 0.1° |
| O12 | C17 | N5 | HN5 | 152.2° | 180.0° |
| C17 | N5 | C20 | HN5 | 180.0° | 179.9° |
| C17 | N5 | C20 | C21 | 60.4° | 155.0° |
| C17 | N5 | C20 | C22 | 177.4° | 85.0° |
| C17 | N5 | C20 | H20 | 57.9° | 35.0° |
| C19 | C18 | H181 | H182 | 114.5° | 120.1° |
| C18 | C19 | C28 | C29 | 121.6° | 120.0° |
| C18 | C19 | C28 | H19 | 118.0° | 120.1° |
| C18 | C19 | C29 | H19 | 118.1° | 120.0° |
| C18 | C19 | C28 | H281 | 54.7° | 60.0° |
| C18 | C19 | C28 | H282 | 180.0° | 180.0° |
| C18 | C19 | C28 | H283 | 54.7° | 60.0° |
| C18 | C19 | C29 | H291 | 54.7° | 180.0° |
| C18 | C19 | C29 | H292 | 180.0° | 60.0° |
| C18 | C19 | C29 | H293 | 54.7° | 60.0° |
| H181 | C18 | C19 | C28 | 56.9° | 55.1° |
| H181 | C18 | C19 | C29 | 63.7° | 175.1° |
| H181 | C18 | C19 | H19 | 176.0° | 65.0° |
| H182 | C18 | C19 | C28 | 166.4° | 65.0° |
| H182 | C18 | C19 | C29 | 45.8° | 55.0° |
| H182 | C18 | C19 | H19 | 74.5° | 174.9° |
| C28 | C19 | C29 | H19 | 119.2° | 120.0° |
| C19 | C28 | H281 | H282 | 125.6° | 120.0° |
| C19 | C28 | H281 | H283 | 117.2° | 120.0° |
| C19 | C28 | H282 | H283 | 125.3° | 120.0° |
| C28 | C19 | C29 | H291 | 68.0° | 59.9° |
| C28 | C19 | C29 | H292 | 57.3° | 60.0° |
| C28 | C19 | C29 | H293 | 177.5° | 180.0° |
| C29 | C19 | C28 | H281 | 176.4° | 60.1° |
| C29 | C19 | C28 | H282 | 58.4° | 60.0° |
| C29 | C19 | C28 | H283 | 66.9° | 180.0° |
| C19 | C29 | H291 | H292 | 124.2° | 119.9° |
| C19 | C29 | H291 | H293 | 117.9° | 120.0° |
| C19 | C29 | H292 | H293 | 125.3° | 120.0° |
| H19 | C19 | C28 | H281 | 63.3° | 180.0° |
| H19 | C19 | C28 | H282 | 62.0° | 59.9° |
| H19 | C19 | C28 | H283 | 172.7° | 60.0° |
| H19 | C19 | C29 | H291 | 172.8° | 60.1° |
| H19 | C19 | C29 | H292 | 61.9° | 180.0° |
| H19 | C19 | C29 | H293 | 63.3° | 60.0° |
| N5 | C20 | C21 | C22 | 121.4° | 120.0° |
| N5 | C20 | C21 | H20 | 119.2° | 120.0° |
| N5 | C20 | C22 | H20 | 119.3° | 120.0° |
| N5 | C20 | C21 | O13 | 32.0° | 0.0° |
| N5 | C20 | C21 | N6 | 149.0° | 180.0° |
| N5 | C20 | C22 | C23 | 179.8° | 60.0° |
| N5 | C20 | C22 | C24 | 56.9° | 60.0° |
| N5 | C20 | C22 | H22 | 62.2° | 180.0° |
| HN5 | N5 | C20 | C21 | 119.6° | 25.0° |
| HN5 | N5 | C20 | C22 | 2.7° | 95.0° |
| HN5 | N5 | C20 | H20 | 122.1° | 145.0° |
| C21 | C20 | C22 | H20 | 118.3° | 120.0° |
| C20 | C21 | O13 | N6 | 178.9° | 180.0° |
| C21 | C20 | C22 | C23 | 57.4° | 180.0° |
| C21 | C20 | C22 | C24 | 179.4° | 60.0° |
| C21 | C20 | C22 | H22 | 60.3° | 60.0° |
| C20 | C21 | N6 | C25 | 179.5° | 180.0° |
| C20 | C21 | N6 | HN6 | 0.5° | 0.0° |
| C22 | C20 | C21 | O13 | 89.3° | 120.0° |
| C22 | C20 | C21 | N6 | 89.7° | 60.0° |
| C20 | C22 | C23 | C24 | 122.9° | 120.0° |
| C20 | C22 | C23 | H22 | 118.1° | 120.0° |
| C20 | C22 | C24 | H22 | 118.2° | 120.0° |
| C20 | C22 | C23 | H231 | 54.7° | 180.0° |
| C20 | C22 | C23 | H232 | 180.0° | 60.1° |
| C20 | C22 | C23 | H233 | 54.8° | 60.0° |
| C20 | C22 | C24 | C30 | 63.0° | 175.0° |
| C20 | C22 | C24 | H241 | 171.8° | 55.0° |
| C20 | C22 | C24 | H242 | 62.3° | 65.0° |
| H20 | C20 | C21 | O13 | 151.3° | 120.0° |
| H20 | C20 | C21 | N6 | 29.7° | 60.0° |
| H20 | C20 | C22 | C23 | 60.9° | 60.0° |
| H20 | C20 | C22 | C24 | 62.4° | 180.0° |
| H20 | C20 | C22 | H22 | 178.5° | 60.0° |
| O13 | C21 | N6 | C25 | 1.6° | 0.0° |
| O13 | C21 | N6 | HN6 | 178.4° | 180.0° |
| C21 | N6 | C25 | HN6 | 180.0° | 180.0° |
| C21 | N6 | C25 | C26 | 113.7° | 155.0° |
| C21 | N6 | C25 | C27 | 127.0° | 85.0° |
| C21 | N6 | C25 | H25 | 6.6° | 35.0° |
| C23 | C22 | C24 | H22 | 117.7° | 120.0° |
| C22 | C23 | H231 | H232 | 125.6° | 120.0° |
| C22 | C23 | H231 | H233 | 117.2° | 120.0° |
| C22 | C23 | H232 | H233 | 125.2° | 120.1° |
| C23 | C22 | C24 | C30 | 61.1° | 65.0° |
| C23 | C22 | C24 | H241 | 64.2° | 175.0° |
| C23 | C22 | C24 | H242 | 173.7° | 55.0° |
| C24 | C22 | C23 | H231 | 68.1° | 60.0° |
| C24 | C22 | C23 | H232 | 57.1° | 179.9° |
| C24 | C22 | C23 | H233 | 177.6° | 60.0° |
| C22 | C24 | C30 | H241 | 125.3° | 120.0° |
| C22 | C24 | C30 | H242 | 125.3° | 120.0° |
| C22 | C24 | H241 | H242 | 115.4° | 120.0° |
| C22 | C24 | C30 | H301 | 54.8° | 60.0° |
| C22 | C24 | C30 | H302 | 180.0° | 180.0° |
| C22 | C24 | C30 | H303 | 54.7° | 59.9° |
| H22 | C22 | C23 | H231 | 172.8° | 60.0° |
| H22 | C22 | C23 | H232 | 61.9° | 59.9° |
| H22 | C22 | C23 | H233 | 63.3° | 180.0° |
| H22 | C22 | C24 | C30 | 178.8° | 55.0° |
| H22 | C22 | C24 | H241 | 53.5° | 65.0° |
| H22 | C22 | C24 | H242 | 55.9° | 175.0° |
| H231 | C23 | H232 | H233 | 109.5° | 120.0° |
| C30 | C24 | H241 | H242 | 115.4° | 120.0° |
| C24 | C30 | H301 | H302 | 129.1° | 120.1° |
| C24 | C30 | H301 | H303 | 115.5° | 120.0° |
| C24 | C30 | H302 | H303 | 125.3° | 120.0° |
| H241 | C24 | C30 | H301 | 179.9° | 180.0° |
| H241 | C24 | C30 | H302 | 54.7° | 59.9° |
| H241 | C24 | C30 | H303 | 70.6° | 60.1° |
| H242 | C24 | C30 | H301 | 70.5° | 60.0° |
| H242 | C24 | C30 | H302 | 54.7° | 60.0° |
| H242 | C24 | C30 | H303 | 180.0° | 180.0° |
| N6 | C25 | C26 | C27 | 116.4° | 120.0° |
| N6 | C25 | C26 | H25 | 123.0° | 120.0° |
| N6 | C25 | C27 | H25 | 123.0° | 119.9° |
| N6 | C25 | C26 | O14 | 35.1° | 0.0° |
| N6 | C25 | C26 | N7 | 144.8° | 180.0° |
| N6 | C25 | C27 | C31 | 108.6° | 65.0° |
| N6 | C25 | C27 | H271 | 126.1° | 55.0° |
| N6 | C25 | C27 | H272 | 16.6° | 175.0° |
| HN6 | N6 | C25 | C26 | 66.3° | 25.0° |
| HN6 | N6 | C25 | C27 | 53.0° | 95.0° |
| HN6 | N6 | C25 | H25 | 173.3° | 145.0° |
| C26 | C25 | C27 | H25 | 120.5° | 120.0° |
| C25 | C26 | O14 | N7 | 180.0° | 179.9° |
| C26 | C25 | C27 | C31 | 135.0° | 175.0° |
| C26 | C25 | C27 | H271 | 9.7° | 65.1° |
| C26 | C25 | C27 | H272 | 99.8° | 55.0° |
| C25 | C26 | N7 | HN7 | 39.5° | 0.1° |
| C27 | C25 | C26 | O14 | 81.3° | 120.0° |
| C27 | C25 | C26 | N7 | 98.7° | 60.0° |
| C25 | C27 | C31 | H271 | 125.3° | 120.0° |
| C25 | C27 | C31 | H272 | 125.3° | 120.0° |
| C25 | C27 | H271 | H272 | 116.0° | 120.1° |
| C25 | C27 | C31 | C32 | 177.9° | 175.0° |
| C25 | C27 | C31 | C33 | 55.3° | 65.0° |
| C25 | C27 | C31 | H31 | 62.5° | 55.0° |
| H25 | C25 | C26 | O14 | 158.2° | 120.0° |
| H25 | C25 | C26 | N7 | 21.8° | 60.0° |
| H25 | C25 | C27 | C31 | 14.4° | 55.0° |
| H25 | C25 | C27 | H271 | 110.8° | 174.9° |
| H25 | C25 | C27 | H272 | 139.7° | 65.0° |
| O14 | C26 | N7 | HN7 | 140.5° | 180.0° |
| C31 | C27 | H271 | H272 | 116.0° | 120.0° |
| C27 | C31 | C32 | C33 | 124.4° | 120.0° |
| C27 | C31 | C32 | H31 | 117.6° | 120.0° |
| C27 | C31 | C33 | H31 | 117.4° | 120.0° |
| C27 | C31 | C32 | C34 | 179.6° | 179.9° |
| C27 | C31 | C32 | H321 | 55.1° | 60.0° |
| C27 | C31 | C32 | H322 | 54.3° | 60.0° |
| C27 | C31 | C33 | C35 | 180.0° | 180.0° |
| C27 | C31 | C33 | H331 | 54.7° | 60.0° |
| C27 | C31 | C33 | H332 | 54.7° | 60.0° |
| H271 | C27 | C31 | C32 | 56.8° | 55.0° |
| H271 | C27 | C31 | C33 | 179.5° | 175.0° |
| H271 | C27 | C31 | H31 | 62.7° | 65.0° |
| H272 | C27 | C31 | C32 | 52.7° | 65.0° |
| H272 | C27 | C31 | C33 | 70.0° | 55.0° |
| H272 | C27 | C31 | H31 | 172.2° | 175.0° |
| H281 | C28 | H282 | H283 | 109.5° | 120.0° |
| H291 | C29 | H292 | H293 | 109.5° | 120.0° |
| H301 | C30 | H302 | H303 | 109.4° | 119.9° |
| C32 | C31 | C33 | H31 | 119.6° | 120.0° |
| C31 | C32 | C34 | H321 | 125.3° | 120.0° |
| C31 | C32 | C34 | H322 | 125.2° | 120.0° |
| C31 | C32 | H321 | H322 | 117.1° | 120.0° |
| C32 | C31 | C33 | C35 | 57.0° | 60.0° |
| C32 | C31 | C33 | H331 | 68.3° | 60.0° |
| C32 | C31 | C33 | H332 | 177.7° | 180.0° |
| C31 | C32 | C34 | C36 | 53.8° | 60.0° |
| C31 | C32 | C34 | H341 | 71.4° | 60.0° |
| C31 | C32 | C34 | H342 | 179.1° | 180.0° |
| C33 | C31 | C32 | C34 | 55.2° | 60.0° |
| C33 | C31 | C32 | H321 | 179.6° | 180.0° |
| C33 | C31 | C32 | H322 | 70.1° | 60.0° |
| C31 | C33 | C35 | H331 | 125.3° | 120.0° |
| C31 | C33 | C35 | H332 | 125.3° | 119.9° |
| C31 | C33 | H331 | H332 | 117.5° | 120.0° |
| C31 | C33 | C35 | C36 | 57.8° | 60.0° |
| C31 | C33 | C35 | H351 | 177.0° | 60.0° |
| C31 | C33 | C35 | H352 | 67.5° | 180.0° |
| H31 | C31 | C32 | C34 | 62.8° | 60.0° |
| H31 | C31 | C32 | H321 | 62.4° | 60.0° |
| H31 | C31 | C32 | H322 | 171.9° | 180.0° |
| H31 | C31 | C33 | C35 | 62.6° | 60.0° |
| H31 | C31 | C33 | H331 | 172.1° | 180.0° |
| H31 | C31 | C33 | H332 | 62.7° | 60.0° |
| C34 | C32 | H321 | H322 | 117.0° | 120.0° |
| C32 | C34 | C36 | H341 | 125.2° | 120.0° |
| C32 | C34 | C36 | H342 | 125.2° | 120.0° |
| C32 | C34 | H341 | H342 | 117.2° | 119.9° |
| C32 | C34 | C36 | C35 | 53.2° | 60.0° |
| C32 | C34 | C36 | H361 | 178.4° | 180.0° |
| C32 | C34 | C36 | H362 | 72.1° | 60.0° |
| H321 | C32 | C34 | C36 | 179.1° | 180.0° |
| H321 | C32 | C34 | H341 | 53.9° | 60.0° |
| H321 | C32 | C34 | H342 | 55.6° | 60.0° |
| H322 | C32 | C34 | C36 | 71.4° | 60.0° |
| H322 | C32 | C34 | H341 | 163.3° | 180.0° |
| H322 | C32 | C34 | H342 | 53.8° | 60.1° |
| C35 | C33 | H331 | H332 | 117.5° | 120.0° |
| C33 | C35 | C36 | C34 | 55.3° | 60.0° |
| C33 | C35 | C36 | H351 | 125.2° | 120.1° |
| C33 | C35 | C36 | H352 | 125.2° | 120.0° |
| C33 | C35 | H351 | H352 | 117.4° | 120.0° |
| C33 | C35 | C36 | H361 | 179.4° | 180.0° |
| C33 | C35 | C36 | H362 | 70.0° | 60.0° |
| H331 | C33 | C35 | C36 | 67.5° | 60.0° |
| H331 | C33 | C35 | H351 | 57.8° | 179.9° |
| H331 | C33 | C35 | H352 | 167.3° | 60.0° |
| H332 | C33 | C35 | C36 | 177.0° | 180.0° |
| H332 | C33 | C35 | H351 | 51.7° | 59.9° |
| H332 | C33 | C35 | H352 | 57.8° | 60.0° |
| C36 | C34 | H341 | H342 | 117.3° | 120.0° |
| C34 | C36 | C35 | H361 | 125.3° | 120.0° |
| C34 | C36 | C35 | H362 | 125.3° | 120.0° |
| C34 | C36 | C35 | H351 | 179.4° | 60.0° |
| C34 | C36 | C35 | H352 | 69.9° | 180.0° |
| C34 | C36 | H361 | H362 | 117.4° | 120.0° |
| H341 | C34 | C36 | C35 | 72.1° | 60.0° |
| H341 | C34 | C36 | H361 | 53.2° | 60.0° |
| H341 | C34 | C36 | H362 | 162.7° | 180.0° |
| H342 | C34 | C36 | C35 | 178.4° | 180.0° |
| H342 | C34 | C36 | H361 | 56.3° | 60.0° |
| H342 | C34 | C36 | H362 | 53.1° | 60.0° |
| C36 | C35 | H351 | H352 | 117.5° | 120.0° |
| C35 | C36 | H361 | H362 | 117.4° | 120.0° |
| H351 | C35 | C36 | H361 | 54.2° | 60.0° |
| H351 | C35 | C36 | H362 | 55.3° | 179.9° |
| H352 | C35 | C36 | H361 | 55.4° | 60.0° |
| H352 | C35 | C36 | H362 | 164.8° | 60.0° |
| C39 | C41 | C40 | C38 | 0.3° | 0.3° |
| C39 | C41 | C40 | H41 | 180.0° | 179.7° |
| C39 | C41 | C40 | O6 | 179.0° | 179.7° |
| H39 | C39 | C41 | C40 | 180.0° | 179.9° |
| H39 | C39 | C41 | H41 | 0.0° | 0.2° |
| C38 | C40 | C41 | O6 | 179.4° | 180.0° |
| C38 | C40 | C41 | H41 | 179.7° | 180.0° |
| C38 | C40 | O6 | P1 | 35.5° | 90.0° |
| H38 | C38 | C40 | C41 | 179.8° | 179.9° |
| H38 | C38 | C40 | O6 | 0.9° | 0.0° |
| C41 | C40 | O6 | P1 | 145.2° | 90.0° |
| O6 | C40 | C41 | H41 | 1.0° | 0.0° |
| C40 | O6 | P1 | O8 | 50.7° | 64.9° |
| C40 | O6 | P1 | O10 | 169.4° | 175.1° |
| C40 | O6 | P1 | O7 | 70.6° | 55.0° |
| O6 | P1 | O8 | O10 | 115.2° | 120.0° |
| O6 | P1 | O8 | O7 | 118.6° | 120.0° |
| O6 | P1 | O10 | O7 | 115.9° | 120.0° |
| O6 | P1 | O10 | H2 | 180.0° | 180.0° |
| O6 | P1 | O7 | HO7 | 180.0° | 5.5° |
| O8 | P1 | O10 | O7 | 125.4° | 120.0° |
| O8 | P1 | O10 | H2 | 61.3° | 60.0° |
| O8 | P1 | O7 | HO7 | 59.4° | 125.5° |
| O10 | P1 | O7 | HO7 | 65.5° | 114.6° |
| O7 | P1 | O10 | H2 | 64.1° | 60.0° |
