PRD_000043
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C21 | sing | 1.53Å | 1.59Å | |
| C11 | O11 | sing | 1.43Å | 1.31Å | |
| C11 | O51 | sing | 1.43Å | 1.50Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| O11 | C42 | sing | 1.43Å | 1.37Å | |
| C21 | C31 | sing | 1.53Å | 1.58Å | |
| C21 | N21 | sing | 1.47Å | 1.42Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| N21 | H211 | sing | 1.01Å | 1.00Å | |
| N21 | H212 | sing | 1.01Å | 1.00Å | |
| C31 | O31 | sing | 1.43Å | 1.41Å | |
| C31 | C41 | sing | 1.53Å | 1.61Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| O31 | HO31 | sing | 0.97Å | 0.95Å | |
| C41 | O41 | sing | 1.43Å | 1.49Å | |
| C41 | C51 | sing | 1.53Å | 1.62Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| O41 | HO41 | sing | 0.97Å | 0.95Å | |
| C51 | C61 | sing | 1.53Å | 1.46Å | |
| C51 | O51 | sing | 1.43Å | 1.50Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C61 | O61 | sing | 1.43Å | 1.32Å | |
| C61 | H611 | sing | 1.09Å | 1.10Å | |
| C61 | H612 | sing | 1.09Å | 1.10Å | |
| O61 | HO61 | sing | 0.97Å | 0.95Å | |
| C12 | C22 | sing | 1.53Å | 1.66Å | |
| C12 | N12 | sing | 1.47Å | 1.51Å | |
| C12 | C62 | sing | 1.53Å | 1.60Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| N12 | C17 | sing | 1.35Å | 1.35Å | |
| N12 | HN12 | sing | 0.97Å | 1.00Å | |
| C22 | C32 | sing | 1.53Å | 1.62Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C32 | N32 | sing | 1.47Å | 1.49Å | |
| C32 | C42 | sing | 1.53Å | 1.67Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| N32 | H321 | sing | 1.01Å | 1.00Å | |
| N32 | H322 | sing | 1.01Å | 1.00Å | |
| C42 | C52 | sing | 1.53Å | 1.60Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C52 | O52 | sing | 1.43Å | 1.46Å | |
| C52 | C62 | sing | 1.53Å | 1.55Å | |
| C52 | H52 | sing | 1.09Å | 1.10Å | |
| O52 | C13 | sing | 1.43Å | 1.43Å | |
| C62 | O62 | sing | 1.43Å | 1.43Å | |
| C62 | H62 | sing | 1.09Å | 1.10Å | |
| O62 | HO62 | sing | 0.97Å | 0.95Å | |
| C13 | O13 | sing | 1.44Å | 1.46Å | |
| C13 | C23 | sing | 1.54Å | 1.50Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| O13 | C43 | sing | 1.44Å | 1.51Å | |
| C23 | O23 | sing | 1.43Å | 1.43Å | |
| C23 | C33 | sing | 1.55Å | 1.50Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| O23 | C15 | sing | 1.43Å | 1.42Å | |
| C33 | C43 | sing | 1.54Å | 1.55Å | |
| C33 | O33 | sing | 1.43Å | 1.37Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| O33 | C14 | sing | 1.43Å | 1.40Å | |
| C43 | C53 | sing | 1.53Å | 1.63Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C53 | O53 | sing | 1.43Å | 1.38Å | |
| C53 | H531 | sing | 1.09Å | 1.10Å | |
| C53 | H532 | sing | 1.09Å | 1.10Å | |
| O53 | HO53 | sing | 0.97Å | 0.95Å | |
| C14 | O54 | sing | 1.43Å | 1.56Å | |
| C14 | C24 | sing | 1.53Å | 1.59Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | N24 | sing | 1.47Å | 1.50Å | |
| C24 | C34 | sing | 1.53Å | 1.62Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| N24 | H241 | sing | 1.01Å | 1.00Å | |
| N24 | H242 | sing | 1.01Å | 1.00Å | |
| C34 | C44 | sing | 1.53Å | 1.68Å | |
| C34 | O34 | sing | 1.43Å | 1.47Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| O34 | HO34 | sing | 0.97Å | 0.95Å | |
| C44 | C54 | sing | 1.53Å | 1.66Å | |
| C44 | O44 | sing | 1.43Å | 1.48Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| O44 | HO44 | sing | 0.97Å | 0.95Å | |
| C54 | O54 | sing | 1.43Å | 1.52Å | |
| C54 | C64 | sing | 1.53Å | 1.58Å | |
| C54 | H54 | sing | 1.09Å | 1.10Å | |
| C64 | N64 | sing | 1.47Å | 1.44Å | |
| C64 | H641 | sing | 1.09Å | 1.10Å | |
| C64 | H642 | sing | 1.09Å | 1.10Å | |
| N64 | HN41 | sing | 1.01Å | 1.00Å | |
| N64 | HN42 | sing | 1.01Å | 1.00Å | |
| C15 | C25 | sing | 1.53Å | 1.53Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C25 | N25 | sing | 1.47Å | 1.49Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| N25 | C35 | sing | 1.47Å | 1.50Å | |
| N25 | HN25 | sing | 1.01Å | 1.00Å | |
| C35 | C45 | sing | 1.53Å | 1.56Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C45 | C16 | sing | 1.51Å | 1.56Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C16 | C66 | doub | 1.38Å | 1.49Å | Aromatic |
| C16 | C26 | sing | 1.38Å | 1.50Å | Aromatic |
| C26 | C36 | doub | 1.38Å | 1.48Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C36 | C46 | sing | 1.38Å | 1.49Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C46 | C56 | doub | 1.38Å | 1.49Å | Aromatic |
| C46 | H46 | sing | 1.08Å | 1.08Å | |
| C56 | C66 | sing | 1.38Å | 1.50Å | Aromatic |
| C56 | H56 | sing | 1.08Å | 1.08Å | |
| C66 | H66 | sing | 1.08Å | 1.08Å | |
| C17 | O17 | doub | 1.21Å | 1.27Å | |
| C17 | C27 | sing | 1.51Å | 1.55Å | |
| C27 | O27 | sing | 1.43Å | 1.26Å | |
| C27 | C37 | sing | 1.53Å | 1.56Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| O27 | HO27 | sing | 0.97Å | 0.95Å | |
| C37 | C47 | sing | 1.53Å | 1.54Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C47 | N47 | sing | 1.47Å | 1.49Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| N47 | HN71 | sing | 1.01Å | 1.00Å | |
| N47 | HN72 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C11 | O11 | 111.9° | 109.5° |
| C21 | C11 | O51 | 109.3° | 109.4° |
| C21 | C11 | H11 | 108.9° | 109.5° |
| C11 | C21 | C31 | 109.2° | 109.2° |
| C11 | C21 | N21 | 110.4° | 109.5° |
| C11 | C21 | H21 | 109.9° | 109.6° |
| O11 | C11 | O51 | 111.9° | 109.4° |
| O11 | C11 | H11 | 106.0° | 109.5° |
| C11 | O11 | C42 | 120.6° | 114.0° |
| O51 | C11 | H11 | 108.8° | 109.5° |
| C11 | O51 | C51 | 116.6° | 114.1° |
| O11 | C42 | C32 | 108.1° | 109.4° |
| O11 | C42 | C52 | 111.1° | 109.5° |
| O11 | C42 | H42 | 109.5° | 109.5° |
| C31 | C21 | N21 | 112.0° | 109.5° |
| C31 | C21 | H21 | 108.2° | 109.5° |
| C21 | C31 | O31 | 106.9° | 109.5° |
| C21 | C31 | C41 | 109.2° | 109.0° |
| C21 | C31 | H31 | 112.5° | 109.5° |
| N21 | C21 | H21 | 107.0° | 109.6° |
| C21 | N21 | H211 | 109.5° | 111.0° |
| C21 | N21 | H212 | 109.4° | 111.0° |
| H211 | N21 | H212 | 109.5° | 110.9° |
| O31 | C31 | C41 | 112.8° | 109.6° |
| O31 | C31 | H31 | 108.9° | 109.6° |
| C31 | O31 | HO31 | 109.5° | 114.0° |
| C41 | C31 | H31 | 106.6° | 109.6° |
| C31 | C41 | O41 | 109.1° | 109.5° |
| C31 | C41 | C51 | 109.6° | 109.2° |
| C31 | C41 | H41 | 109.5° | 109.6° |
| O41 | C41 | C51 | 109.0° | 109.5° |
| O41 | C41 | H41 | 110.1° | 109.5° |
| C41 | O41 | HO41 | 109.5° | 114.0° |
| C51 | C41 | H41 | 109.5° | 109.6° |
| C41 | C51 | C61 | 109.3° | 109.5° |
| C41 | C51 | O51 | 104.3° | 109.4° |
| C41 | C51 | H51 | 113.6° | 109.5° |
| C61 | C51 | O51 | 111.5° | 109.5° |
| C61 | C51 | H51 | 106.7° | 109.5° |
| C51 | C61 | O61 | 106.5° | 109.5° |
| C51 | C61 | H611 | 110.5° | 109.5° |
| C51 | C61 | H612 | 111.2° | 109.5° |
| O51 | C51 | H51 | 111.5° | 109.5° |
| O61 | C61 | H611 | 110.5° | 109.5° |
| O61 | C61 | H612 | 111.1° | 109.4° |
| C61 | O61 | HO61 | 109.5° | 114.0° |
| H611 | C61 | H612 | 107.1° | 109.5° |
| C22 | C12 | N12 | 106.7° | 109.5° |
| C22 | C12 | C62 | 109.8° | 109.5° |
| C22 | C12 | H12 | 112.0° | 109.4° |
| C12 | C22 | C32 | 108.8° | 109.5° |
| C12 | C22 | H221 | 109.7° | 109.4° |
| C12 | C22 | H222 | 109.8° | 109.5° |
| N12 | C12 | C62 | 112.0° | 109.5° |
| N12 | C12 | H12 | 109.8° | 109.5° |
| C12 | N12 | C17 | 118.0° | 120.0° |
| C12 | N12 | HN12 | 121.0° | 119.9° |
| C62 | C12 | H12 | 106.7° | 109.4° |
| C12 | C62 | C52 | 110.0° | 109.5° |
| C12 | C62 | O62 | 108.1° | 109.5° |
| C12 | C62 | H62 | 109.6° | 109.4° |
| C17 | N12 | HN12 | 121.0° | 120.1° |
| N12 | C17 | O17 | 125.2° | 120.0° |
| N12 | C17 | C27 | 112.0° | 120.0° |
| C32 | C22 | H221 | 109.7° | 109.5° |
| C32 | C22 | H222 | 109.8° | 109.5° |
| C22 | C32 | N32 | 112.1° | 109.5° |
| C22 | C32 | C42 | 108.4° | 109.4° |
| C22 | C32 | H32 | 109.0° | 109.5° |
| H221 | C22 | H222 | 109.0° | 109.4° |
| N32 | C32 | C42 | 111.1° | 109.5° |
| N32 | C32 | H32 | 106.2° | 109.5° |
| C32 | N32 | H321 | 109.5° | 111.0° |
| C32 | N32 | H322 | 109.5° | 111.0° |
| C42 | C32 | H32 | 110.0° | 109.5° |
| C32 | C42 | C52 | 110.1° | 109.5° |
| C32 | C42 | H42 | 110.6° | 109.5° |
| H321 | N32 | H322 | 109.4° | 111.0° |
| C52 | C42 | H42 | 107.5° | 109.5° |
| C42 | C52 | O52 | 106.4° | 109.4° |
| C42 | C52 | C62 | 110.6° | 109.4° |
| C42 | C52 | H52 | 111.0° | 109.4° |
| O52 | C52 | C62 | 110.3° | 109.5° |
| O52 | C52 | H52 | 111.4° | 109.5° |
| C52 | O52 | C13 | 115.1° | 114.0° |
| C62 | C52 | H52 | 107.2° | 109.5° |
| C52 | C62 | O62 | 108.2° | 109.4° |
| C52 | C62 | H62 | 109.5° | 109.5° |
| O52 | C13 | O13 | 107.4° | 110.4° |
| O52 | C13 | C23 | 120.9° | 110.4° |
| O52 | C13 | H13 | 100.4° | 110.3° |
| O62 | C62 | H62 | 111.3° | 109.5° |
| C62 | O62 | HO62 | 109.5° | 114.0° |
| O13 | C13 | C23 | 99.3° | 104.8° |
| O13 | C13 | H13 | 121.7° | 110.3° |
| C13 | O13 | C43 | 113.9° | 105.3° |
| C23 | C13 | H13 | 108.5° | 110.5° |
| C13 | C23 | O23 | 111.1° | 110.5° |
| C13 | C23 | C33 | 100.9° | 104.1° |
| C13 | C23 | H23 | 117.0° | 110.5° |
| O13 | C43 | C33 | 97.5° | 104.8° |
| O13 | C43 | C53 | 110.8° | 110.4° |
| O13 | C43 | H43 | 118.9° | 110.4° |
| O23 | C23 | C33 | 117.2° | 110.5° |
| O23 | C23 | H23 | 100.6° | 110.4° |
| C23 | O23 | C15 | 123.1° | 114.0° |
| C33 | C23 | H23 | 110.9° | 110.6° |
| C23 | C33 | C43 | 104.6° | 104.0° |
| C23 | C33 | O33 | 117.8° | 110.5° |
| C23 | C33 | H33 | 109.4° | 110.4° |
| O23 | C15 | C25 | 102.6° | 109.5° |
| O23 | C15 | H151 | 111.9° | 109.4° |
| O23 | C15 | H152 | 113.3° | 109.5° |
| C43 | C33 | O33 | 115.0° | 110.6° |
| C43 | C33 | H33 | 112.6° | 110.5° |
| C33 | C43 | C53 | 116.7° | 110.4° |
| C33 | C43 | H43 | 113.3° | 110.4° |
| O33 | C33 | H33 | 97.5° | 110.6° |
| C33 | O33 | C14 | 119.7° | 114.0° |
| O33 | C14 | O54 | 110.4° | 109.5° |
| O33 | C14 | C24 | 105.0° | 109.5° |
| O33 | C14 | H14 | 112.4° | 109.5° |
| C53 | C43 | H43 | 100.6° | 110.4° |
| C43 | C53 | O53 | 111.3° | 109.4° |
| C43 | C53 | H531 | 108.9° | 109.4° |
| C43 | C53 | H532 | 108.5° | 109.5° |
| O53 | C53 | H531 | 108.9° | 109.5° |
| O53 | C53 | H532 | 108.5° | 109.5° |
| C53 | O53 | HO53 | 109.5° | 114.0° |
| H531 | C53 | H532 | 110.8° | 109.5° |
| O54 | C14 | C24 | 111.1° | 109.4° |
| O54 | C14 | H14 | 106.4° | 109.5° |
| C14 | O54 | C54 | 114.3° | 114.1° |
| C24 | C14 | H14 | 111.7° | 109.6° |
| C14 | C24 | N24 | 107.6° | 109.6° |
| C14 | C24 | C34 | 106.1° | 109.1° |
| C14 | C24 | H24 | 114.9° | 109.5° |
| N24 | C24 | C34 | 114.8° | 109.5° |
| N24 | C24 | H24 | 106.2° | 109.5° |
| C24 | N24 | H241 | 109.5° | 111.0° |
| C24 | N24 | H242 | 109.5° | 111.0° |
| C34 | C24 | H24 | 107.6° | 109.6° |
| C24 | C34 | C44 | 110.0° | 109.0° |
| C24 | C34 | O34 | 107.7° | 109.5° |
| C24 | C34 | H34 | 110.8° | 109.5° |
| H241 | N24 | H242 | 109.5° | 111.0° |
| C44 | C34 | O34 | 111.0° | 109.6° |
| C44 | C34 | H34 | 107.6° | 109.6° |
| C34 | C44 | C54 | 108.5° | 109.2° |
| C34 | C44 | O44 | 110.9° | 109.5° |
| C34 | C44 | H44 | 109.4° | 109.4° |
| O34 | C34 | H34 | 109.8° | 109.6° |
| C34 | O34 | HO34 | 109.5° | 113.9° |
| C54 | C44 | O44 | 110.2° | 109.6° |
| C54 | C44 | H44 | 110.2° | 109.6° |
| C44 | C54 | O54 | 106.1° | 109.4° |
| C44 | C54 | C64 | 109.7° | 109.4° |
| C44 | C54 | H54 | 112.3° | 109.5° |
| O44 | C44 | H44 | 107.7° | 109.6° |
| C44 | O44 | HO44 | 109.5° | 114.0° |
| O54 | C54 | C64 | 111.7° | 109.5° |
| O54 | C54 | H54 | 110.3° | 109.5° |
| C64 | C54 | H54 | 106.7° | 109.5° |
| C54 | C64 | N64 | 111.0° | 109.5° |
| C54 | C64 | H641 | 109.0° | 109.5° |
| C54 | C64 | H642 | 108.6° | 109.5° |
| N64 | C64 | H641 | 109.0° | 109.4° |
| N64 | C64 | H642 | 108.6° | 109.4° |
| C64 | N64 | HN41 | 109.5° | 111.0° |
| C64 | N64 | HN42 | 109.5° | 111.0° |
| H641 | C64 | H642 | 110.7° | 109.5° |
| HN41 | N64 | HN42 | 109.5° | 110.9° |
| C25 | C15 | H151 | 111.8° | 109.5° |
| C25 | C15 | H152 | 113.3° | 109.5° |
| C15 | C25 | N25 | 112.2° | 109.5° |
| C15 | C25 | H251 | 108.6° | 109.5° |
| C15 | C25 | H252 | 108.0° | 109.5° |
| H151 | C15 | H152 | 104.2° | 109.5° |
| N25 | C25 | H251 | 108.6° | 109.4° |
| N25 | C25 | H252 | 108.0° | 109.5° |
| C25 | N25 | C35 | 109.2° | 111.0° |
| C25 | N25 | HN25 | 109.6° | 111.1° |
| H251 | C25 | H252 | 111.6° | 109.5° |
| C35 | N25 | HN25 | 109.6° | 111.0° |
| N25 | C35 | C45 | 111.8° | 109.5° |
| N25 | C35 | H351 | 108.7° | 109.4° |
| N25 | C35 | H352 | 108.2° | 109.5° |
| C45 | C35 | H351 | 108.7° | 109.4° |
| C45 | C35 | H352 | 108.2° | 109.5° |
| C35 | C45 | C16 | 116.6° | 109.5° |
| C35 | C45 | H451 | 107.2° | 109.4° |
| C35 | C45 | H452 | 105.5° | 109.5° |
| H351 | C35 | H352 | 111.4° | 109.5° |
| C16 | C45 | H451 | 107.2° | 109.4° |
| C16 | C45 | H452 | 105.5° | 109.5° |
| C45 | C16 | C66 | 120.9° | 120.0° |
| C45 | C16 | C26 | 119.8° | 120.0° |
| H451 | C45 | H452 | 115.2° | 109.5° |
| C66 | C16 | C26 | 119.3° | 120.0° |
| C16 | C66 | C56 | 120.2° | 120.0° |
| C16 | C66 | H66 | 119.9° | 120.0° |
| C16 | C26 | C36 | 120.3° | 120.0° |
| C16 | C26 | H26 | 119.8° | 120.0° |
| C36 | C26 | H26 | 119.8° | 120.0° |
| C26 | C36 | C46 | 120.3° | 120.0° |
| C26 | C36 | H36 | 119.8° | 120.0° |
| C46 | C36 | H36 | 119.8° | 120.0° |
| C36 | C46 | C56 | 119.9° | 120.0° |
| C36 | C46 | H46 | 120.1° | 120.0° |
| C56 | C46 | H46 | 120.0° | 120.0° |
| C46 | C56 | C66 | 119.9° | 120.0° |
| C46 | C56 | H56 | 120.0° | 120.0° |
| C66 | C56 | H56 | 120.0° | 120.0° |
| C56 | C66 | H66 | 119.9° | 120.0° |
| O17 | C17 | C27 | 122.8° | 120.0° |
| C17 | C27 | O27 | 112.9° | 109.5° |
| C17 | C27 | C37 | 111.1° | 109.5° |
| C17 | C27 | H27 | 105.3° | 109.5° |
| O27 | C27 | C37 | 107.4° | 109.5° |
| O27 | C27 | H27 | 109.2° | 109.4° |
| C27 | O27 | HO27 | 109.5° | 114.0° |
| C37 | C27 | H27 | 111.0° | 109.5° |
| C27 | C37 | C47 | 113.8° | 109.5° |
| C27 | C37 | H371 | 108.1° | 109.5° |
| C27 | C37 | H372 | 107.1° | 109.4° |
| C47 | C37 | H371 | 108.1° | 109.5° |
| C47 | C37 | H372 | 107.1° | 109.5° |
| C37 | C47 | N47 | 110.4° | 109.4° |
| C37 | C47 | H471 | 109.1° | 109.5° |
| C37 | C47 | H472 | 109.0° | 109.5° |
| H371 | C37 | H372 | 112.9° | 109.4° |
| N47 | C47 | H471 | 109.2° | 109.4° |
| N47 | C47 | H472 | 108.9° | 109.5° |
| C47 | N47 | HN71 | 109.5° | 111.0° |
| C47 | N47 | HN72 | 109.5° | 111.0° |
| H471 | C47 | H472 | 110.2° | 109.5° |
| HN71 | N47 | HN72 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C11 | O11 | O51 | 123.0° | 119.9° |
| C21 | C11 | O11 | H11 | 118.5° | 120.1° |
| C21 | C11 | O51 | H11 | 118.7° | 120.0° |
| C21 | C11 | O11 | C42 | 156.2° | 151.6° |
| C11 | C21 | C31 | N21 | 122.6° | 119.9° |
| C11 | C21 | C31 | H21 | 119.6° | 119.9° |
| C11 | C21 | N21 | H21 | 119.6° | 120.2° |
| C11 | C21 | N21 | H211 | 117.6° | 60.0° |
| C11 | C21 | N21 | H212 | 2.4° | 176.1° |
| C11 | C21 | C31 | O31 | 179.0° | 176.8° |
| C11 | C21 | C31 | C41 | 56.6° | 57.0° |
| C11 | C21 | C31 | H31 | 61.5° | 62.9° |
| C21 | C11 | O51 | C51 | 61.9° | 61.2° |
| O11 | C11 | O51 | H11 | 116.8° | 120.0° |
| O11 | C11 | C21 | C31 | 69.5° | 62.3° |
| O11 | C11 | C21 | N21 | 54.0° | 57.5° |
| O11 | C11 | C21 | H21 | 171.9° | 177.8° |
| O11 | C11 | O51 | C51 | 62.6° | 58.8° |
| C11 | O11 | C42 | C32 | 151.0° | 112.1° |
| C11 | O11 | C42 | C52 | 88.1° | 127.9° |
| C11 | O11 | C42 | H42 | 30.5° | 7.8° |
| O51 | C11 | O11 | C42 | 80.8° | 88.5° |
| O51 | C11 | C21 | C31 | 55.0° | 57.6° |
| O51 | C11 | C21 | N21 | 178.6° | 177.5° |
| O51 | C11 | C21 | H21 | 63.6° | 62.3° |
| C11 | O51 | C51 | C41 | 62.8° | 61.2° |
| C11 | O51 | C51 | C61 | 179.3° | 178.8° |
| C11 | O51 | C51 | H51 | 60.2° | 58.8° |
| H11 | C11 | O11 | C42 | 37.7° | 31.5° |
| H11 | C11 | C21 | C31 | 173.7° | 177.6° |
| H11 | C11 | C21 | N21 | 62.8° | 62.5° |
| H11 | C11 | C21 | H21 | 55.1° | 57.7° |
| H11 | C11 | O51 | C51 | 179.3° | 178.8° |
| O11 | C42 | C32 | C22 | 179.3° | 180.0° |
| O11 | C42 | C32 | N32 | 57.1° | 60.0° |
| O11 | C42 | C32 | C52 | 121.5° | 120.0° |
| O11 | C42 | C32 | H42 | 119.8° | 120.0° |
| O11 | C42 | C32 | H32 | 60.2° | 60.0° |
| O11 | C42 | C52 | H42 | 119.8° | 120.0° |
| O11 | C42 | C52 | O52 | 60.5° | 60.0° |
| O11 | C42 | C52 | C62 | 179.7° | 180.0° |
| O11 | C42 | C52 | H52 | 60.8° | 60.0° |
| C31 | C21 | N21 | H21 | 118.5° | 120.1° |
| C31 | C21 | N21 | H211 | 4.3° | 179.7° |
| C31 | C21 | N21 | H212 | 124.4° | 56.4° |
| C21 | C31 | O31 | C41 | 120.0° | 119.5° |
| C21 | C31 | O31 | H31 | 121.8° | 120.2° |
| C21 | C31 | C41 | H31 | 121.8° | 119.9° |
| C21 | C31 | O31 | HO31 | 15.5° | 180.0° |
| C21 | C31 | C41 | O41 | 179.9° | 176.8° |
| C21 | C31 | C41 | C51 | 60.6° | 57.0° |
| C21 | C31 | C41 | H41 | 59.6° | 63.0° |
| C21 | N21 | H211 | H212 | 120.0° | 123.9° |
| N21 | C21 | C31 | O31 | 58.4° | 63.2° |
| N21 | C21 | C31 | C41 | 179.3° | 176.9° |
| N21 | C21 | C31 | H31 | 61.1° | 57.0° |
| H21 | C21 | N21 | H211 | 122.8° | 60.2° |
| H21 | C21 | N21 | H212 | 117.2° | 63.7° |
| H21 | C21 | C31 | O31 | 59.3° | 56.9° |
| H21 | C21 | C31 | C41 | 63.0° | 62.9° |
| H21 | C21 | C31 | H31 | 178.8° | 177.1° |
| O31 | C31 | C41 | H31 | 119.5° | 120.3° |
| O31 | C31 | C41 | O41 | 61.4° | 63.3° |
| O31 | C31 | C41 | C51 | 179.3° | 176.8° |
| O31 | C31 | C41 | H41 | 59.1° | 56.9° |
| C41 | C31 | O31 | HO31 | 104.5° | 60.5° |
| C31 | C41 | O41 | C51 | 119.7° | 119.7° |
| C31 | C41 | O41 | H41 | 120.2° | 120.2° |
| C31 | C41 | C51 | H41 | 120.2° | 120.0° |
| C31 | C41 | O41 | HO41 | 158.3° | 180.0° |
| C31 | C41 | C51 | C61 | 179.1° | 177.6° |
| C31 | C41 | C51 | O51 | 59.8° | 57.6° |
| C31 | C41 | C51 | H51 | 61.9° | 62.3° |
| H31 | C31 | O31 | HO31 | 137.4° | 59.9° |
| H31 | C31 | C41 | O41 | 58.1° | 57.0° |
| H31 | C31 | C41 | C51 | 61.2° | 62.9° |
| H31 | C31 | C41 | H41 | 178.6° | 177.2° |
| O41 | C41 | C51 | H41 | 120.5° | 120.1° |
| O41 | C41 | C51 | C61 | 61.5° | 62.5° |
| O41 | C41 | C51 | O51 | 179.1° | 177.5° |
| O41 | C41 | C51 | H51 | 57.5° | 57.5° |
| C51 | C41 | O41 | HO41 | 82.0° | 60.3° |
| C41 | C51 | C61 | O51 | 114.8° | 119.9° |
| C41 | C51 | C61 | H51 | 123.2° | 120.0° |
| C41 | C51 | O51 | H51 | 123.0° | 120.0° |
| C41 | C51 | C61 | O61 | 178.8° | 177.1° |
| C41 | C51 | C61 | H611 | 58.7° | 57.0° |
| C41 | C51 | C61 | H612 | 60.1° | 62.9° |
| H41 | C41 | O41 | HO41 | 38.2° | 59.8° |
| H41 | C41 | C51 | C61 | 58.9° | 57.6° |
| H41 | C41 | C51 | O51 | 60.4° | 62.4° |
| H41 | C41 | C51 | H51 | 178.0° | 177.7° |
| C61 | C51 | O51 | H51 | 119.1° | 120.0° |
| C51 | C61 | O61 | H611 | 120.0° | 120.0° |
| C51 | C61 | O61 | H612 | 121.2° | 120.0° |
| C51 | C61 | H611 | H612 | 121.2° | 120.0° |
| C51 | C61 | O61 | HO61 | 103.4° | 180.0° |
| O51 | C51 | C61 | O61 | 66.4° | 63.0° |
| O51 | C51 | C61 | H611 | 173.5° | 177.0° |
| O51 | C51 | C61 | H612 | 54.7° | 57.0° |
| H51 | C51 | C61 | O61 | 55.5° | 57.0° |
| H51 | C51 | C61 | H611 | 64.5° | 63.0° |
| H51 | C51 | C61 | H612 | 176.7° | 177.0° |
| O61 | C61 | H611 | H612 | 121.2° | 119.9° |
| H611 | C61 | O61 | HO61 | 16.7° | 60.0° |
| H612 | C61 | O61 | HO61 | 135.4° | 60.0° |
| C22 | C12 | N12 | C62 | 120.2° | 120.0° |
| C22 | C12 | N12 | H12 | 121.5° | 120.0° |
| C22 | C12 | C62 | H12 | 121.5° | 119.9° |
| C22 | C12 | N12 | C17 | 105.5° | 85.0° |
| C22 | C12 | N12 | HN12 | 74.5° | 95.1° |
| C12 | C22 | C32 | H221 | 120.0° | 120.0° |
| C12 | C22 | C32 | H222 | 120.3° | 120.1° |
| C12 | C22 | H221 | H222 | 120.3° | 119.9° |
| C12 | C22 | C32 | N32 | 180.0° | 180.0° |
| C12 | C22 | C32 | C42 | 56.9° | 60.0° |
| C12 | C22 | C32 | H32 | 62.8° | 60.0° |
| C22 | C12 | C62 | C52 | 61.3° | 60.0° |
| C22 | C12 | C62 | O62 | 179.4° | 179.9° |
| C22 | C12 | C62 | H62 | 59.1° | 60.1° |
| N12 | C12 | C62 | H12 | 120.1° | 120.0° |
| C12 | N12 | C17 | HN12 | 180.0° | 179.9° |
| N12 | C12 | C22 | C32 | 178.8° | 180.0° |
| N12 | C12 | C22 | H221 | 61.2° | 60.0° |
| N12 | C12 | C22 | H222 | 58.6° | 59.9° |
| N12 | C12 | C62 | C52 | 179.7° | 180.0° |
| N12 | C12 | C62 | O62 | 62.3° | 60.0° |
| N12 | C12 | C62 | H62 | 59.2° | 60.0° |
| C12 | N12 | C17 | O17 | 5.4° | 0.1° |
| C12 | N12 | C17 | C27 | 175.3° | 180.0° |
| C62 | C12 | N12 | C17 | 134.4° | 155.0° |
| C62 | C12 | N12 | HN12 | 45.6° | 25.0° |
| C62 | C12 | C22 | C32 | 59.6° | 60.0° |
| C62 | C12 | C22 | H221 | 60.4° | 60.1° |
| C62 | C12 | C22 | H222 | 179.9° | 179.9° |
| C12 | C62 | C52 | C42 | 61.9° | 60.0° |
| C12 | C62 | C52 | O52 | 179.3° | 180.0° |
| C12 | C62 | C52 | O62 | 117.9° | 120.0° |
| C12 | C62 | C52 | H62 | 120.5° | 120.0° |
| C12 | C62 | C52 | H52 | 59.3° | 59.9° |
| C12 | C62 | O62 | H62 | 120.5° | 120.0° |
| C12 | C62 | O62 | HO62 | 44.4° | 60.0° |
| H12 | C12 | N12 | C17 | 16.1° | 35.0° |
| H12 | C12 | N12 | HN12 | 163.9° | 144.9° |
| H12 | C12 | C22 | C32 | 58.7° | 60.0° |
| H12 | C12 | C22 | H221 | 178.7° | 180.0° |
| H12 | C12 | C22 | H222 | 61.6° | 60.1° |
| H12 | C12 | C62 | C52 | 60.2° | 59.9° |
| H12 | C12 | C62 | O62 | 57.8° | 60.0° |
| H12 | C12 | C62 | H62 | 179.4° | 180.0° |
| N12 | C17 | O17 | C27 | 179.2° | 179.9° |
| N12 | C17 | C27 | O27 | 11.2° | 175.0° |
| N12 | C17 | C27 | C37 | 109.5° | 64.9° |
| N12 | C17 | C27 | H27 | 130.3° | 55.1° |
| HN12 | N12 | C17 | O17 | 174.5° | 180.0° |
| HN12 | N12 | C17 | C27 | 4.7° | 0.1° |
| C32 | C22 | H221 | H222 | 120.3° | 120.0° |
| C22 | C32 | N32 | C42 | 121.5° | 120.0° |
| C22 | C32 | N32 | H32 | 118.9° | 120.0° |
| C22 | C32 | C42 | H32 | 119.1° | 120.0° |
| C22 | C32 | N32 | H321 | 76.4° | 59.2° |
| C22 | C32 | N32 | H322 | 43.5° | 176.8° |
| C22 | C32 | C42 | C52 | 57.7° | 60.0° |
| C22 | C32 | C42 | H42 | 60.9° | 60.1° |
| H221 | C22 | C32 | N32 | 60.0° | 60.0° |
| H221 | C22 | C32 | C42 | 63.1° | 60.0° |
| H221 | C22 | C32 | H32 | 177.2° | 180.0° |
| H222 | C22 | C32 | N32 | 59.8° | 60.0° |
| H222 | C22 | C32 | C42 | 177.2° | 180.0° |
| H222 | C22 | C32 | H32 | 57.5° | 60.1° |
| N32 | C32 | C42 | H32 | 117.3° | 120.0° |
| C32 | N32 | H321 | H322 | 120.0° | 124.0° |
| N32 | C32 | C42 | C52 | 178.6° | 180.0° |
| N32 | C32 | C42 | H42 | 62.7° | 60.0° |
| C42 | C32 | N32 | H321 | 45.1° | 179.2° |
| C42 | C32 | N32 | H322 | 165.0° | 56.9° |
| C32 | C42 | C52 | H42 | 120.5° | 120.0° |
| C32 | C42 | C52 | O52 | 179.8° | 180.0° |
| C32 | C42 | C52 | C62 | 60.0° | 60.1° |
| C32 | C42 | C52 | H52 | 58.9° | 60.0° |
| H32 | C32 | N32 | H321 | 164.6° | 60.8° |
| H32 | C32 | N32 | H322 | 75.4° | 63.1° |
| H32 | C32 | C42 | C52 | 61.3° | 60.0° |
| H32 | C32 | C42 | H42 | 179.9° | 180.0° |
| C42 | C52 | O52 | C62 | 120.0° | 119.9° |
| C42 | C52 | O52 | H52 | 121.1° | 120.0° |
| C42 | C52 | C62 | H52 | 121.2° | 120.0° |
| C42 | C52 | O52 | C13 | 142.2° | 150.0° |
| C42 | C52 | C62 | O62 | 179.8° | 180.0° |
| C42 | C52 | C62 | H62 | 58.6° | 60.0° |
| H42 | C42 | C52 | O52 | 59.3° | 60.0° |
| H42 | C42 | C52 | C62 | 60.5° | 60.0° |
| H42 | C42 | C52 | H52 | 179.4° | 180.0° |
| O52 | C52 | C62 | H52 | 121.4° | 120.1° |
| O52 | C52 | C62 | O62 | 62.7° | 60.1° |
| O52 | C52 | C62 | H62 | 58.8° | 60.0° |
| C52 | O52 | C13 | O13 | 127.4° | 66.5° |
| C52 | O52 | C13 | C23 | 119.9° | 178.2° |
| C52 | O52 | C13 | H13 | 0.8° | 55.7° |
| C62 | C52 | O52 | C13 | 97.7° | 90.0° |
| C52 | C62 | O62 | H62 | 120.4° | 120.1° |
| C52 | C62 | O62 | HO62 | 74.8° | 180.0° |
| H52 | C52 | O52 | C13 | 21.1° | 30.1° |
| H52 | C52 | C62 | O62 | 58.7° | 60.0° |
| H52 | C52 | C62 | H62 | 179.8° | 179.9° |
| O52 | C13 | O13 | C23 | 126.7° | 118.8° |
| O52 | C13 | O13 | H13 | 114.7° | 122.2° |
| O52 | C13 | C23 | H13 | 115.0° | 122.3° |
| O52 | C13 | O13 | C43 | 99.7° | 159.4° |
| O52 | C13 | C23 | O23 | 162.4° | 98.5° |
| O52 | C13 | C23 | C33 | 72.6° | 142.8° |
| O52 | C13 | C23 | H23 | 47.8° | 24.0° |
| H62 | C62 | O62 | HO62 | 164.9° | 59.9° |
| O13 | C13 | C23 | H13 | 128.1° | 118.8° |
| O13 | C13 | C23 | O23 | 80.7° | 142.6° |
| O13 | C13 | C23 | C33 | 44.3° | 24.0° |
| O13 | C13 | C23 | H23 | 164.7° | 94.8° |
| C13 | O13 | C43 | C33 | 1.5° | 40.5° |
| C13 | O13 | C43 | C53 | 123.8° | 159.3° |
| C13 | O13 | C43 | H43 | 120.4° | 78.3° |
| C23 | C13 | O13 | C43 | 26.9° | 40.5° |
| C13 | C23 | O23 | C33 | 115.2° | 114.6° |
| C13 | C23 | O23 | H23 | 124.6° | 122.6° |
| C13 | C23 | C33 | H23 | 124.7° | 118.8° |
| C13 | C23 | O23 | C15 | 96.3° | 91.5° |
| C13 | C23 | C33 | C43 | 48.3° | 0.0° |
| C13 | C23 | C33 | O33 | 177.5° | 118.7° |
| C13 | C23 | C33 | H33 | 72.5° | 118.7° |
| H13 | C13 | O13 | C43 | 145.6° | 78.5° |
| H13 | C13 | C23 | O23 | 47.4° | 23.8° |
| H13 | C13 | C23 | C33 | 172.4° | 94.8° |
| H13 | C13 | C23 | H23 | 67.3° | 146.3° |
| O13 | C43 | C33 | C23 | 30.1° | 23.9° |
| O13 | C43 | C33 | C53 | 117.9° | 118.8° |
| O13 | C43 | C33 | H43 | 126.0° | 118.8° |
| O13 | C43 | C33 | O33 | 160.9° | 142.6° |
| O13 | C43 | C33 | H33 | 88.6° | 94.6° |
| O13 | C43 | C53 | H43 | 126.7° | 122.3° |
| O13 | C43 | C53 | O53 | 56.8° | 63.6° |
| O13 | C43 | C53 | H531 | 63.2° | 176.4° |
| O13 | C43 | C53 | H532 | 176.0° | 56.4° |
| O23 | C23 | C33 | H23 | 114.6° | 122.6° |
| O23 | C23 | C33 | C43 | 72.4° | 118.7° |
| O23 | C23 | C33 | O33 | 56.8° | 0.0° |
| O23 | C23 | C33 | H33 | 166.8° | 122.7° |
| C23 | O23 | C15 | C25 | 179.9° | 180.0° |
| C23 | O23 | C15 | H151 | 59.9° | 60.0° |
| C23 | O23 | C15 | H152 | 57.6° | 60.0° |
| C33 | C23 | O23 | C15 | 148.5° | 153.9° |
| C23 | C33 | C43 | O33 | 130.8° | 118.7° |
| C23 | C33 | C43 | H33 | 118.7° | 118.6° |
| C23 | C33 | O33 | H33 | 116.7° | 122.6° |
| C23 | C33 | O33 | C14 | 129.6° | 154.7° |
| C23 | C33 | C43 | C53 | 148.0° | 142.8° |
| C23 | C33 | C43 | H43 | 95.8° | 94.9° |
| H23 | C23 | O23 | C15 | 28.3° | 31.2° |
| H23 | C23 | C33 | C43 | 173.0° | 118.7° |
| H23 | C23 | C33 | O33 | 57.9° | 122.6° |
| H23 | C23 | C33 | H33 | 52.2° | 0.1° |
| O23 | C15 | C25 | H151 | 120.0° | 120.0° |
| O23 | C15 | C25 | H152 | 122.5° | 120.0° |
| O23 | C15 | H151 | H152 | 122.8° | 120.0° |
| O23 | C15 | C25 | N25 | 77.2° | 65.0° |
| O23 | C15 | C25 | H251 | 162.9° | 175.0° |
| O23 | C15 | C25 | H252 | 41.7° | 55.0° |
| C43 | C33 | O33 | H33 | 119.3° | 122.7° |
| C43 | C33 | O33 | C14 | 106.4° | 90.6° |
| C33 | C43 | C53 | H43 | 123.0° | 122.3° |
| C33 | C43 | C53 | O53 | 53.5° | 179.0° |
| C33 | C43 | C53 | H531 | 173.5° | 61.0° |
| C33 | C43 | C53 | H532 | 65.8° | 59.0° |
| O33 | C33 | C43 | C53 | 81.2° | 98.5° |
| O33 | C33 | C43 | H43 | 34.9° | 23.8° |
| C33 | O33 | C14 | O54 | 78.5° | 77.8° |
| C33 | O33 | C14 | C24 | 161.6° | 162.3° |
| C33 | O33 | C14 | H14 | 40.1° | 42.2° |
| H33 | C33 | O33 | C14 | 12.9° | 32.1° |
| H33 | C33 | C43 | C53 | 29.3° | 24.2° |
| H33 | C33 | C43 | H43 | 145.4° | 146.6° |
| O33 | C14 | O54 | C24 | 116.1° | 119.9° |
| O33 | C14 | O54 | H14 | 122.2° | 120.0° |
| O33 | C14 | C24 | H14 | 122.0° | 120.0° |
| O33 | C14 | C24 | N24 | 55.4° | 57.7° |
| O33 | C14 | C24 | C34 | 178.7° | 177.6° |
| O33 | C14 | C24 | H24 | 62.6° | 62.5° |
| O33 | C14 | O54 | C54 | 178.9° | 178.9° |
| C43 | C53 | O53 | H531 | 120.0° | 120.0° |
| C43 | C53 | O53 | H532 | 119.2° | 120.0° |
| C43 | C53 | H531 | H532 | 119.2° | 120.0° |
| C43 | C53 | O53 | HO53 | 103.6° | 180.0° |
| H43 | C43 | C53 | O53 | 176.5° | 58.7° |
| H43 | C43 | C53 | H531 | 63.4° | 61.3° |
| H43 | C43 | C53 | H532 | 57.3° | 178.7° |
| O53 | C53 | H531 | H532 | 119.3° | 120.0° |
| H531 | C53 | O53 | HO53 | 16.4° | 60.1° |
| H532 | C53 | O53 | HO53 | 137.1° | 60.0° |
| O54 | C14 | C24 | H14 | 118.6° | 120.0° |
| O54 | C14 | C24 | N24 | 63.9° | 62.3° |
| O54 | C14 | C24 | C34 | 59.3° | 57.7° |
| O54 | C14 | C24 | H24 | 178.1° | 177.6° |
| C14 | O54 | C54 | C44 | 61.6° | 61.2° |
| C14 | O54 | C54 | C64 | 178.8° | 178.9° |
| C14 | O54 | C54 | H54 | 60.3° | 58.8° |
| C14 | C24 | N24 | C34 | 117.8° | 119.7° |
| C14 | C24 | N24 | H24 | 123.4° | 120.1° |
| C14 | C24 | C34 | H24 | 123.4° | 119.9° |
| C14 | C24 | N24 | H241 | 165.7° | 60.0° |
| C14 | C24 | N24 | H242 | 45.7° | 176.0° |
| C14 | C24 | C34 | C44 | 58.7° | 57.0° |
| C14 | C24 | C34 | O34 | 62.3° | 62.9° |
| C14 | C24 | C34 | H34 | 177.5° | 176.9° |
| C24 | C14 | O54 | C54 | 65.0° | 61.2° |
| H14 | C14 | C24 | N24 | 177.4° | 177.7° |
| H14 | C14 | C24 | C34 | 59.3° | 62.4° |
| H14 | C14 | C24 | H24 | 59.5° | 57.5° |
| H14 | C14 | O54 | C54 | 56.8° | 58.9° |
| N24 | C24 | C34 | H24 | 118.0° | 120.2° |
| C24 | N24 | H241 | H242 | 120.0° | 124.0° |
| N24 | C24 | C34 | C44 | 59.9° | 62.9° |
| N24 | C24 | C34 | O34 | 179.1° | 177.2° |
| N24 | C24 | C34 | H34 | 58.9° | 56.9° |
| C34 | C24 | N24 | H241 | 47.9° | 179.7° |
| C34 | C24 | N24 | H242 | 72.1° | 56.4° |
| C24 | C34 | C44 | O34 | 119.0° | 119.9° |
| C24 | C34 | C44 | H34 | 120.8° | 119.8° |
| C24 | C34 | O34 | H34 | 120.8° | 120.2° |
| C24 | C34 | O34 | HO34 | 49.3° | 180.0° |
| C24 | C34 | C44 | C54 | 59.8° | 57.0° |
| C24 | C34 | C44 | O44 | 61.3° | 62.9° |
| C24 | C34 | C44 | H44 | 180.0° | 176.9° |
| H24 | C24 | N24 | H241 | 70.9° | 60.1° |
| H24 | C24 | N24 | H242 | 169.1° | 63.8° |
| H24 | C24 | C34 | C44 | 177.9° | 176.9° |
| H24 | C24 | C34 | O34 | 61.1° | 57.0° |
| H24 | C24 | C34 | H34 | 59.1° | 63.2° |
| C44 | C34 | O34 | H34 | 118.8° | 120.3° |
| C44 | C34 | O34 | HO34 | 71.2° | 60.4° |
| C34 | C44 | C54 | O44 | 121.6° | 119.9° |
| C34 | C44 | C54 | H44 | 119.7° | 119.8° |
| C34 | C44 | O44 | H44 | 119.7° | 120.1° |
| C34 | C44 | O44 | HO44 | 70.9° | 59.9° |
| C34 | C44 | C54 | O54 | 57.9° | 57.6° |
| C34 | C44 | C54 | C64 | 178.7° | 177.6° |
| C34 | C44 | C54 | H54 | 62.7° | 62.4° |
| O34 | C34 | C44 | C54 | 59.2° | 62.9° |
| O34 | C34 | C44 | O44 | 179.6° | 177.2° |
| O34 | C34 | C44 | H44 | 61.0° | 57.0° |
| H34 | C34 | O34 | HO34 | 170.0° | 59.9° |
| H34 | C34 | C44 | C54 | 179.4° | 176.8° |
| H34 | C34 | C44 | O44 | 59.5° | 56.9° |
| H34 | C34 | C44 | H44 | 59.2° | 63.3° |
| C54 | C44 | O44 | H44 | 120.2° | 120.2° |
| C54 | C44 | O44 | HO44 | 168.9° | 179.6° |
| C44 | C54 | O54 | C64 | 119.5° | 120.0° |
| C44 | C54 | O54 | H54 | 121.9° | 120.0° |
| C44 | C54 | C64 | H54 | 122.0° | 120.0° |
| C44 | C54 | C64 | N64 | 78.4° | 174.2° |
| C44 | C54 | C64 | H641 | 41.6° | 65.8° |
| C44 | C54 | C64 | H642 | 162.2° | 54.3° |
| O44 | C44 | C54 | O54 | 63.7° | 62.3° |
| O44 | C44 | C54 | C64 | 57.1° | 57.7° |
| O44 | C44 | C54 | H54 | 175.7° | 177.7° |
| H44 | C44 | O44 | HO44 | 48.7° | 60.1° |
| H44 | C44 | C54 | O54 | 177.6° | 177.4° |
| H44 | C44 | C54 | C64 | 61.6° | 62.5° |
| H44 | C44 | C54 | H54 | 57.0° | 57.5° |
| O54 | C54 | C64 | H54 | 120.7° | 120.1° |
| O54 | C54 | C64 | N64 | 38.9° | 65.8° |
| O54 | C54 | C64 | H641 | 158.9° | 54.1° |
| O54 | C54 | C64 | H642 | 80.4° | 174.2° |
| C54 | C64 | N64 | H641 | 120.0° | 120.0° |
| C54 | C64 | N64 | H642 | 119.3° | 120.0° |
| C54 | C64 | H641 | H642 | 119.4° | 120.1° |
| C54 | C64 | N64 | HN41 | 81.4° | 69.7° |
| C54 | C64 | N64 | HN42 | 158.5° | 166.4° |
| H54 | C54 | C64 | N64 | 159.6° | 54.3° |
| H54 | C54 | C64 | H641 | 80.4° | 174.2° |
| H54 | C54 | C64 | H642 | 40.3° | 65.7° |
| N64 | C64 | H641 | H642 | 119.4° | 119.9° |
| C64 | N64 | HN41 | HN42 | 120.0° | 123.9° |
| H641 | C64 | N64 | HN41 | 38.6° | 50.3° |
| H641 | C64 | N64 | HN42 | 81.5° | 73.6° |
| H642 | C64 | N64 | HN41 | 159.2° | 170.3° |
| H642 | C64 | N64 | HN42 | 39.2° | 46.4° |
| C25 | C15 | H151 | H152 | 122.8° | 120.1° |
| C15 | C25 | N25 | H251 | 120.0° | 120.0° |
| C15 | C25 | N25 | H252 | 118.8° | 120.1° |
| C15 | C25 | H251 | H252 | 118.9° | 120.0° |
| C15 | C25 | N25 | C35 | 168.6° | 180.0° |
| C15 | C25 | N25 | HN25 | 48.6° | 56.0° |
| H151 | C15 | C25 | N25 | 42.9° | 54.9° |
| H151 | C15 | C25 | H251 | 77.1° | 65.0° |
| H151 | C15 | C25 | H252 | 161.7° | 175.0° |
| H152 | C15 | C25 | N25 | 160.3° | 175.0° |
| H152 | C15 | C25 | H251 | 40.4° | 55.0° |
| H152 | C15 | C25 | H252 | 80.8° | 65.0° |
| N25 | C25 | H251 | H252 | 118.9° | 120.0° |
| C25 | N25 | C35 | HN25 | 120.0° | 124.0° |
| C25 | N25 | C35 | C45 | 110.9° | 180.0° |
| C25 | N25 | C35 | H351 | 9.0° | 60.1° |
| C25 | N25 | C35 | H352 | 130.1° | 60.0° |
| H251 | C25 | N25 | C35 | 71.4° | 60.0° |
| H251 | C25 | N25 | HN25 | 168.6° | 64.0° |
| H252 | C25 | N25 | C35 | 49.7° | 59.9° |
| H252 | C25 | N25 | HN25 | 70.3° | 176.1° |
| N25 | C35 | C45 | H351 | 120.0° | 119.9° |
| N25 | C35 | C45 | H352 | 119.0° | 120.0° |
| N25 | C35 | H351 | H352 | 119.0° | 120.0° |
| N25 | C35 | C45 | C16 | 119.7° | 180.0° |
| N25 | C35 | C45 | H451 | 0.3° | 60.1° |
| N25 | C35 | C45 | H452 | 123.6° | 60.0° |
| HN25 | N25 | C35 | C45 | 129.1° | 56.0° |
| HN25 | N25 | C35 | H351 | 111.0° | 64.0° |
| HN25 | N25 | C35 | H352 | 10.1° | 176.0° |
| C45 | C35 | H351 | H352 | 119.0° | 120.0° |
| C35 | C45 | C16 | H451 | 120.0° | 119.9° |
| C35 | C45 | C16 | H452 | 116.7° | 120.0° |
| C35 | C45 | H451 | H452 | 117.1° | 120.0° |
| C35 | C45 | C16 | C66 | 90.6° | 90.0° |
| C35 | C45 | C16 | C26 | 89.8° | 89.8° |
| H351 | C35 | C45 | C16 | 120.3° | 60.1° |
| H351 | C35 | C45 | H451 | 119.7° | 180.0° |
| H351 | C35 | C45 | H452 | 3.6° | 60.0° |
| H352 | C35 | C45 | C16 | 0.7° | 60.0° |
| H352 | C35 | C45 | H451 | 119.3° | 60.0° |
| H352 | C35 | C45 | H452 | 117.4° | 180.0° |
| C16 | C45 | H451 | H452 | 117.1° | 120.0° |
| C45 | C16 | C66 | C26 | 179.6° | 179.8° |
| C45 | C16 | C26 | C36 | 179.9° | 180.0° |
| C45 | C16 | C26 | H26 | 0.1° | 0.0° |
| C45 | C16 | C66 | C56 | 179.9° | 179.8° |
| C45 | C16 | C66 | H66 | 0.1° | 0.0° |
| H451 | C45 | C16 | C66 | 29.4° | 29.9° |
| H451 | C45 | C16 | C26 | 150.2° | 150.3° |
| H452 | C45 | C16 | C66 | 152.7° | 150.0° |
| H452 | C45 | C16 | C26 | 26.9° | 30.3° |
| C66 | C16 | C26 | C36 | 0.3° | 0.3° |
| C66 | C16 | C26 | H26 | 179.7° | 179.8° |
| C16 | C66 | C56 | C46 | 0.3° | 0.4° |
| C16 | C66 | C56 | H66 | 180.0° | 179.8° |
| C16 | C66 | C56 | H56 | 179.7° | 179.8° |
| C16 | C26 | C36 | H26 | 180.0° | 179.9° |
| C16 | C26 | C36 | C46 | 0.3° | 0.1° |
| C16 | C26 | C36 | H36 | 179.7° | 179.9° |
| C26 | C16 | C66 | C56 | 0.3° | 0.4° |
| C26 | C16 | C66 | H66 | 179.7° | 179.7° |
| C26 | C36 | C46 | H36 | 180.0° | 180.0° |
| C26 | C36 | C46 | C56 | 0.3° | 0.0° |
| C26 | C36 | C46 | H46 | 179.7° | 180.0° |
| H26 | C26 | C36 | C46 | 179.7° | 180.0° |
| H26 | C26 | C36 | H36 | 0.3° | 0.0° |
| C36 | C46 | C56 | H46 | 180.0° | 180.0° |
| C36 | C46 | C56 | C66 | 0.3° | 0.2° |
| C36 | C46 | C56 | H56 | 179.7° | 180.0° |
| H36 | C36 | C46 | C56 | 179.7° | 180.0° |
| H36 | C36 | C46 | H46 | 0.3° | 0.0° |
| C46 | C56 | C66 | H56 | 180.0° | 179.8° |
| C46 | C56 | C66 | H66 | 179.7° | 179.8° |
| H46 | C46 | C56 | C66 | 179.7° | 179.9° |
| H46 | C46 | C56 | H56 | 0.3° | 0.0° |
| H56 | C56 | C66 | H66 | 0.3° | 0.0° |
| O17 | C17 | C27 | O27 | 169.5° | 5.1° |
| O17 | C17 | C27 | C37 | 69.8° | 114.9° |
| O17 | C17 | C27 | H27 | 50.5° | 125.0° |
| C17 | C27 | O27 | C37 | 122.8° | 120.1° |
| C17 | C27 | O27 | H27 | 116.8° | 120.0° |
| C17 | C27 | C37 | H27 | 116.8° | 120.0° |
| C17 | C27 | O27 | HO27 | 124.6° | 60.1° |
| C17 | C27 | C37 | C47 | 152.7° | 175.0° |
| C17 | C27 | C37 | H371 | 87.3° | 65.0° |
| C17 | C27 | C37 | H372 | 34.5° | 55.0° |
| O27 | C27 | C37 | H27 | 119.3° | 119.9° |
| O27 | C27 | C37 | C47 | 83.5° | 65.0° |
| O27 | C27 | C37 | H371 | 36.5° | 55.1° |
| O27 | C27 | C37 | H372 | 158.4° | 175.0° |
| C37 | C27 | O27 | HO27 | 1.8° | 60.0° |
| C27 | C37 | C47 | H371 | 120.0° | 120.0° |
| C27 | C37 | C47 | H372 | 118.1° | 120.0° |
| C27 | C37 | H371 | H372 | 118.3° | 119.9° |
| C27 | C37 | C47 | N47 | 164.2° | 180.0° |
| C27 | C37 | C47 | H471 | 75.8° | 60.0° |
| C27 | C37 | C47 | H472 | 44.5° | 60.0° |
| H27 | C27 | O27 | HO27 | 118.6° | 179.9° |
| H27 | C27 | C37 | C47 | 35.8° | 54.9° |
| H27 | C27 | C37 | H371 | 155.8° | 175.0° |
| H27 | C27 | C37 | H372 | 82.3° | 65.1° |
| C47 | C37 | H371 | H372 | 118.2° | 120.0° |
| C37 | C47 | N47 | H471 | 120.0° | 120.0° |
| C37 | C47 | N47 | H472 | 119.6° | 120.0° |
| C37 | C47 | H471 | H472 | 119.6° | 120.0° |
| C37 | C47 | N47 | HN71 | 108.2° | 180.0° |
| C37 | C47 | N47 | HN72 | 131.8° | 56.0° |
| H371 | C37 | C47 | N47 | 44.2° | 60.0° |
| H371 | C37 | C47 | H471 | 164.2° | 179.9° |
| H371 | C37 | C47 | H472 | 75.5° | 60.0° |
| H372 | C37 | C47 | N47 | 77.7° | 60.0° |
| H372 | C37 | C47 | H471 | 42.3° | 60.0° |
| H372 | C37 | C47 | H472 | 162.7° | 180.0° |
| N47 | C47 | H471 | H472 | 119.6° | 120.0° |
| C47 | N47 | HN71 | HN72 | 120.0° | 124.0° |
| H471 | C47 | N47 | HN71 | 11.8° | 60.0° |
| H471 | C47 | N47 | HN72 | 108.2° | 176.1° |
| H472 | C47 | N47 | HN71 | 132.2° | 60.0° |
| H472 | C47 | N47 | HN72 | 12.2° | 63.9° |
