1RL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C20 | sing | 1.49Å | 1.49Å | |
| C18 | C19 | doub | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.50Å | 1.50Å | |
| C20 | C21 | sing | 1.52Å | 1.52Å | |
| C17 | C16 | doub | 1.53Å | 1.53Å | |
| C32 | C22 | sing | 1.49Å | 1.49Å | |
| O10 | C21 | sing | 1.37Å | 1.37Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C30 | C16 | sing | 1.51Å | 1.51Å | |
| C16 | C15 | sing | 1.51Å | 1.51Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | O9 | sing | 1.37Å | 1.37Å | |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C15 | O11 | doub | 1.22Å | 1.22Å | |
| C15 | N1 | sing | 1.46Å | 1.46Å | |
| C33 | C24 | sing | 1.50Å | 1.50Å | |
| N1 | C2 | sing | 1.46Å | 1.46Å | |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| O8 | C35 | doub | 1.23Å | 1.23Å | |
| C36 | C35 | sing | 1.50Å | 1.50Å | |
| C03 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| C03 | C01 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | O7 | sing | 1.38Å | 1.38Å | |
| C04 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| O01 | C01 | sing | 1.39Å | 1.39Å | |
| O01 | C3 | sing | 1.38Å | 1.38Å | |
| C25 | O7 | sing | 1.37Å | 1.37Å | |
| C25 | C26 | sing | 1.51Å | 1.51Å | |
| C01 | C02 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.39Å | |
| C2 | C1 | sing | 1.44Å | 1.44Å | |
| C3 | C4 | sing | 1.44Å | 1.44Å | |
| O1 | C1 | doub | 1.22Å | 1.22Å | |
| C05 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C34 | C26 | sing | 1.50Å | 1.50Å | |
| C1 | C9 | sing | 1.45Å | 1.45Å | |
| C26 | C27 | sing | 1.51Å | 1.51Å | |
| C02 | C06 | sing | 1.43Å | 1.43Å | Aromatic |
| C02 | N3 | sing | 1.35Å | 1.35Å | |
| C06 | O | sing | 1.41Å | 1.41Å | |
| C4 | N3 | doub | 1.37Å | 1.37Å | |
| C4 | C10 | sing | 1.47Å | 1.47Å | |
| O6 | C27 | sing | 1.39Å | 1.39Å | |
| O6 | C37 | sing | 1.39Å | 1.39Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | doub | 1.42Å | 1.42Å | Aromatic |
| C9 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| O2 | C8 | sing | 1.38Å | 1.38Å | |
| C10 | C5 | sing | 1.52Å | 1.52Å | Aromatic |
| O | C07 | sing | 1.42Å | 1.42Å | |
| C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | doub | 1.41Å | 1.41Å | |
| C5 | C6 | doub | 1.37Å | 1.37Å | Aromatic |
| C5 | C11 | sing | 1.29Å | 1.29Å | |
| C29 | O5 | sing | 1.43Å | 1.43Å | |
| C7 | C6 | sing | 1.48Å | 1.48Å | Aromatic |
| C7 | C14 | sing | 1.51Å | 1.51Å | |
| O4 | C11 | doub | 1.21Å | 1.21Å | |
| C6 | O3 | sing | 1.62Å | 1.62Å | |
| C08 | N | sing | 1.49Å | 1.49Å | |
| C11 | C12 | sing | 1.34Å | 1.34Å | |
| C | C39 | sing | 1.51Å | 1.51Å | |
| O5 | C12 | sing | 1.43Å | 1.43Å | |
| N | C39 | sing | 1.46Å | 1.46Å | |
| N | C09 | sing | 1.47Å | 1.47Å | |
| C12 | O3 | sing | 1.48Å | 1.48Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C09 | C38 | sing | 1.51Å | 1.51Å | |
| C13 | H131 | sing | 1.10Å | 1.10Å | |
| C13 | H132 | sing | 1.10Å | 1.10Å | |
| C13 | H133 | sing | 1.10Å | 1.10Å | |
| C14 | H143 | sing | 1.10Å | 1.10Å | |
| C14 | H141 | sing | 1.10Å | 1.10Å | |
| C14 | H142 | sing | 1.10Å | 1.10Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.10Å | 1.10Å | |
| C21 | H211 | sing | 1.10Å | 1.10Å | |
| C22 | H221 | sing | 1.10Å | 1.10Å | |
| C23 | H231 | sing | 1.10Å | 1.10Å | |
| C24 | H241 | sing | 1.10Å | 1.10Å | |
| C25 | H251 | sing | 1.10Å | 1.10Å | |
| C26 | H261 | sing | 1.10Å | 1.10Å | |
| C27 | H271 | sing | 1.10Å | 1.10Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H302 | sing | 1.10Å | 1.10Å | |
| C30 | H303 | sing | 1.10Å | 1.10Å | |
| C30 | H301 | sing | 1.10Å | 1.10Å | |
| C31 | H313 | sing | 1.10Å | 1.10Å | |
| C31 | H312 | sing | 1.10Å | 1.10Å | |
| C31 | H311 | sing | 1.10Å | 1.10Å | |
| C32 | H323 | sing | 1.10Å | 1.10Å | |
| C32 | H321 | sing | 1.10Å | 1.10Å | |
| C32 | H322 | sing | 1.10Å | 1.10Å | |
| C33 | H331 | sing | 1.10Å | 1.10Å | |
| C33 | H333 | sing | 1.10Å | 1.10Å | |
| C33 | H332 | sing | 1.10Å | 1.10Å | |
| C34 | H341 | sing | 1.10Å | 1.10Å | |
| C34 | H343 | sing | 1.10Å | 1.10Å | |
| C34 | H342 | sing | 1.10Å | 1.10Å | |
| C36 | H362 | sing | 1.10Å | 1.10Å | |
| C36 | H361 | sing | 1.10Å | 1.10Å | |
| C36 | H363 | sing | 1.10Å | 1.10Å | |
| C37 | H373 | sing | 1.10Å | 1.10Å | |
| C37 | H371 | sing | 1.10Å | 1.10Å | |
| C37 | H372 | sing | 1.10Å | 1.10Å | |
| N1 | H11 | sing | 1.00Å | 1.00Å | |
| O2 | H21 | sing | 0.95Å | 0.95Å | |
| O9 | H91 | sing | 0.95Å | 0.95Å | |
| O10 | H101 | sing | 0.95Å | 0.95Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C07 | H072 | sing | 1.10Å | 1.10Å | |
| C07 | H071 | sing | 1.10Å | 1.10Å | |
| C08 | H081 | sing | 1.10Å | 1.10Å | |
| C08 | H082 | sing | 1.10Å | 1.10Å | |
| C09 | H092 | sing | 1.10Å | 1.10Å | |
| C09 | H091 | sing | 1.10Å | 1.10Å | |
| C38 | H382 | sing | 1.10Å | 1.10Å | |
| C38 | H383 | sing | 1.10Å | 1.10Å | |
| C38 | H381 | sing | 1.10Å | 1.10Å | |
| C39 | H391 | sing | 1.10Å | 1.10Å | |
| C39 | H392 | sing | 1.10Å | 1.10Å | |
| C | HC2 | sing | 1.10Å | 1.10Å | |
| C | HC1 | sing | 1.10Å | 1.10Å | |
| C | HC3 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C20 | C19 | 105.7° | 105.7° |
| C31 | C20 | C21 | 115.7° | 115.7° |
| C31 | C20 | H201 | 108.6° | 108.6° |
| C20 | C31 | H313 | 109.5° | 109.5° |
| C20 | C31 | H312 | 109.5° | 109.5° |
| C20 | C31 | H311 | 109.5° | 109.5° |
| C19 | C18 | C17 | 120.5° | 120.5° |
| C18 | C19 | C20 | 121.2° | 121.2° |
| C19 | C18 | H181 | 119.8° | 119.8° |
| C18 | C19 | H191 | 119.4° | 119.4° |
| C18 | C17 | C16 | 119.1° | 119.1° |
| C18 | C17 | H171 | 120.4° | 120.4° |
| C17 | C18 | H181 | 119.7° | 119.7° |
| C19 | C20 | C21 | 109.9° | 109.9° |
| C20 | C19 | H191 | 119.4° | 119.4° |
| C19 | C20 | H201 | 108.5° | 108.5° |
| C20 | C21 | O10 | 106.8° | 106.8° |
| C20 | C21 | C22 | 117.0° | 117.0° |
| C21 | C20 | H201 | 108.2° | 108.2° |
| C20 | C21 | H211 | 107.6° | 107.6° |
| C17 | C16 | C30 | 119.9° | 119.9° |
| C17 | C16 | C15 | 119.1° | 119.1° |
| C16 | C17 | H171 | 120.5° | 120.5° |
| C32 | C22 | C21 | 112.1° | 112.1° |
| C32 | C22 | C23 | 109.4° | 109.4° |
| C32 | C22 | H221 | 109.1° | 109.1° |
| C22 | C32 | H323 | 109.5° | 109.5° |
| C22 | C32 | H321 | 109.5° | 109.5° |
| C22 | C32 | H322 | 109.5° | 109.5° |
| O10 | C21 | C22 | 107.9° | 107.9° |
| O10 | C21 | H211 | 109.7° | 109.7° |
| C21 | O10 | H101 | 109.5° | 109.5° |
| C21 | C22 | C23 | 108.8° | 108.8° |
| C22 | C21 | H211 | 107.7° | 107.7° |
| C21 | C22 | H221 | 108.8° | 108.8° |
| C30 | C16 | C15 | 120.0° | 120.0° |
| C16 | C30 | H302 | 109.5° | 109.5° |
| C16 | C30 | H303 | 109.4° | 109.4° |
| C16 | C30 | H301 | 109.4° | 109.4° |
| C16 | C15 | O11 | 119.6° | 119.6° |
| C16 | C15 | N1 | 120.9° | 120.9° |
| C22 | C23 | O9 | 108.3° | 108.3° |
| C22 | C23 | C24 | 115.3° | 115.3° |
| C23 | C22 | H221 | 108.6° | 108.6° |
| C22 | C23 | H231 | 107.9° | 107.9° |
| O9 | C23 | C24 | 107.1° | 107.1° |
| O9 | C23 | H231 | 110.0° | 110.0° |
| C23 | O9 | H91 | 109.5° | 109.5° |
| C23 | C24 | C33 | 112.6° | 112.6° |
| C23 | C24 | C25 | 107.1° | 107.1° |
| C24 | C23 | H231 | 108.1° | 108.1° |
| C23 | C24 | H241 | 108.9° | 108.9° |
| O11 | C15 | N1 | 119.5° | 119.5° |
| C15 | N1 | C2 | 119.4° | 119.4° |
| C15 | N1 | H11 | 120.3° | 120.3° |
| C33 | C24 | C25 | 110.5° | 110.5° |
| C33 | C24 | H241 | 109.0° | 109.0° |
| C24 | C33 | H331 | 109.5° | 109.5° |
| C24 | C33 | H333 | 109.5° | 109.5° |
| C24 | C33 | H332 | 109.4° | 109.4° |
| N1 | C2 | C3 | 119.3° | 119.3° |
| N1 | C2 | C1 | 120.7° | 120.7° |
| C2 | N1 | H11 | 120.3° | 120.3° |
| C24 | C25 | O7 | 109.6° | 109.6° |
| C24 | C25 | C26 | 110.4° | 110.4° |
| C25 | C24 | H241 | 108.7° | 108.7° |
| C24 | C25 | H251 | 108.1° | 108.1° |
| O8 | C35 | C36 | 119.2° | 119.2° |
| O8 | C35 | O7 | 120.9° | 120.9° |
| C36 | C35 | O7 | 119.6° | 119.6° |
| C35 | C36 | H362 | 109.5° | 109.5° |
| C35 | C36 | H361 | 109.4° | 109.5° |
| C35 | C36 | H363 | 109.4° | 109.4° |
| C04 | C03 | C01 | 119.1° | 119.1° |
| C03 | C04 | C05 | 120.2° | 120.2° |
| C04 | C03 | H031 | 120.4° | 120.4° |
| C03 | C04 | H041 | 119.9° | 119.9° |
| C03 | C01 | O01 | 115.5° | 115.5° |
| C03 | C01 | C02 | 122.8° | 122.8° |
| C01 | C03 | H031 | 120.5° | 120.5° |
| C35 | O7 | C25 | 121.0° | 121.0° |
| C04 | C05 | C06 | 120.7° | 120.7° |
| C05 | C04 | H041 | 119.9° | 119.9° |
| C04 | C05 | H051 | 119.7° | 119.7° |
| C01 | O01 | C3 | 117.0° | 117.0° |
| O01 | C01 | C02 | 121.8° | 121.8° |
| O01 | C3 | C2 | 116.4° | 116.4° |
| O01 | C3 | C4 | 121.9° | 121.9° |
| O7 | C25 | C26 | 110.5° | 110.5° |
| O7 | C25 | H251 | 110.0° | 110.0° |
| C25 | C26 | C34 | 108.7° | 108.7° |
| C25 | C26 | C27 | 112.4° | 112.4° |
| C26 | C25 | H251 | 108.2° | 108.2° |
| C25 | C26 | H261 | 108.5° | 108.5° |
| C01 | C02 | C06 | 117.2° | 117.2° |
| C01 | C02 | N3 | 120.0° | 120.0° |
| C3 | C2 | C1 | 120.0° | 120.0° |
| C2 | C3 | C4 | 121.7° | 121.7° |
| C2 | C1 | O1 | 119.9° | 119.9° |
| C2 | C1 | C9 | 120.1° | 120.1° |
| C3 | C4 | N3 | 117.5° | 117.5° |
| C3 | C4 | C10 | 119.0° | 119.0° |
| O1 | C1 | C9 | 120.0° | 120.0° |
| C05 | C06 | C02 | 120.1° | 120.1° |
| C05 | C06 | O | 119.9° | 119.9° |
| C06 | C05 | H051 | 119.7° | 119.7° |
| C34 | C26 | C27 | 110.1° | 110.1° |
| C34 | C26 | H261 | 108.7° | 108.7° |
| C26 | C34 | H341 | 109.5° | 109.5° |
| C26 | C34 | H343 | 109.5° | 109.5° |
| C26 | C34 | H342 | 109.5° | 109.5° |
| C1 | C9 | C10 | 120.4° | 120.4° |
| C1 | C9 | C8 | 113.2° | 113.2° |
| C26 | C27 | O6 | 119.9° | 119.9° |
| C26 | C27 | C28 | 118.2° | 118.2° |
| C27 | C26 | H261 | 108.4° | 108.4° |
| C26 | C27 | H271 | 93.5° | 93.5° |
| C06 | C02 | N3 | 122.8° | 122.8° |
| C02 | C06 | O | 120.0° | 120.0° |
| C02 | N3 | C4 | 121.8° | 121.8° |
| C06 | O | C07 | 122.2° | 122.2° |
| N3 | C4 | C10 | 123.5° | 123.5° |
| C4 | C10 | C9 | 118.9° | 118.9° |
| C4 | C10 | C5 | 131.8° | 131.8° |
| C27 | O6 | C37 | 123.5° | 123.5° |
| O6 | C27 | C28 | 120.7° | 120.7° |
| O6 | C27 | H271 | 93.9° | 93.9° |
| O6 | C37 | H373 | 109.5° | 109.5° |
| O6 | C37 | H371 | 109.5° | 109.5° |
| O6 | C37 | H372 | 109.4° | 109.4° |
| C27 | C28 | C29 | 118.8° | 118.8° |
| C28 | C27 | H271 | 93.5° | 93.5° |
| C27 | C28 | H281 | 120.7° | 120.7° |
| C10 | C9 | C8 | 126.4° | 126.4° |
| C9 | C10 | C5 | 109.3° | 109.3° |
| C9 | C8 | O2 | 117.4° | 117.4° |
| C9 | C8 | C7 | 124.3° | 124.3° |
| O2 | C8 | C7 | 117.4° | 117.4° |
| C8 | O2 | H21 | 109.5° | 109.5° |
| C10 | C5 | C6 | 123.3° | 123.3° |
| C10 | C5 | C11 | 129.8° | 129.8° |
| O | C07 | C08 | 109.9° | 109.9° |
| O | C07 | H072 | 109.4° | 109.4° |
| O | C07 | H071 | 109.4° | 109.4° |
| C8 | C7 | C6 | 111.9° | 111.9° |
| C8 | C7 | C14 | 122.5° | 122.5° |
| C07 | C08 | N | 110.4° | 110.4° |
| C08 | C07 | H072 | 109.4° | 109.4° |
| C08 | C07 | H071 | 109.4° | 109.4° |
| C07 | C08 | H081 | 109.2° | 109.2° |
| C07 | C08 | H082 | 109.3° | 109.3° |
| C28 | C29 | O5 | 120.9° | 120.9° |
| C29 | C28 | H281 | 120.6° | 120.6° |
| C28 | C29 | H291 | 119.6° | 119.6° |
| C6 | C5 | C11 | 106.9° | 106.9° |
| C5 | C6 | C7 | 123.6° | 123.6° |
| C5 | C6 | O3 | 108.7° | 108.7° |
| C5 | C11 | O4 | 121.8° | 121.8° |
| C5 | C11 | C12 | 117.2° | 117.2° |
| C29 | O5 | C12 | 121.7° | 121.7° |
| O5 | C29 | H291 | 119.5° | 119.5° |
| C6 | C7 | C14 | 121.1° | 121.1° |
| C7 | C6 | O3 | 127.7° | 127.7° |
| C7 | C14 | H143 | 109.5° | 109.5° |
| C7 | C14 | H141 | 109.5° | 109.4° |
| C7 | C14 | H142 | 109.5° | 109.5° |
| O4 | C11 | C12 | 121.0° | 121.0° |
| C6 | O3 | C12 | 96.5° | 96.5° |
| C08 | N | C39 | 110.1° | 110.1° |
| C08 | N | C09 | 109.9° | 109.9° |
| N | C08 | H081 | 109.3° | 109.3° |
| N | C08 | H082 | 109.3° | 109.3° |
| C11 | C12 | O5 | 110.6° | 110.6° |
| C11 | C12 | O3 | 107.9° | 107.9° |
| C11 | C12 | C13 | 109.3° | 109.3° |
| C | C39 | N | 108.0° | 108.0° |
| C | C39 | H391 | 109.8° | 109.8° |
| C | C39 | H392 | 109.8° | 109.8° |
| C39 | C | HC2 | 109.5° | 109.5° |
| C39 | C | HC1 | 109.5° | 109.5° |
| C39 | C | HC3 | 109.4° | 109.4° |
| O5 | C12 | O3 | 111.0° | 111.0° |
| O5 | C12 | C13 | 109.4° | 109.4° |
| C39 | N | C09 | 110.0° | 110.0° |
| N | C39 | H391 | 109.8° | 109.8° |
| N | C39 | H392 | 109.8° | 109.8° |
| N | C09 | C38 | 112.7° | 112.7° |
| N | C09 | H092 | 108.6° | 108.6° |
| N | C09 | H091 | 108.6° | 108.6° |
| O3 | C12 | C13 | 108.7° | 108.7° |
| C12 | C13 | H131 | 109.5° | 109.5° |
| C12 | C13 | H132 | 109.5° | 109.5° |
| C12 | C13 | H133 | 109.5° | 109.5° |
| C38 | C09 | H092 | 108.7° | 108.7° |
| C38 | C09 | H091 | 108.7° | 108.7° |
| C09 | C38 | H382 | 109.5° | 109.5° |
| C09 | C38 | H383 | 109.4° | 109.4° |
| C09 | C38 | H381 | 109.4° | 109.4° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.4° | 109.5° |
| H132 | C13 | H133 | 109.5° | 109.4° |
| H143 | C14 | H141 | 109.5° | 109.5° |
| H143 | C14 | H142 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H302 | C30 | H303 | 109.5° | 109.5° |
| H302 | C30 | H301 | 109.5° | 109.5° |
| H303 | C30 | H301 | 109.5° | 109.5° |
| H313 | C31 | H312 | 109.4° | 109.4° |
| H313 | C31 | H311 | 109.5° | 109.5° |
| H312 | C31 | H311 | 109.5° | 109.4° |
| H323 | C32 | H321 | 109.4° | 109.4° |
| H323 | C32 | H322 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H331 | C33 | H333 | 109.5° | 109.5° |
| H331 | C33 | H332 | 109.5° | 109.5° |
| H333 | C33 | H332 | 109.5° | 109.5° |
| H341 | C34 | H343 | 109.4° | 109.4° |
| H341 | C34 | H342 | 109.5° | 109.5° |
| H343 | C34 | H342 | 109.4° | 109.4° |
| H362 | C36 | H361 | 109.5° | 109.5° |
| H362 | C36 | H363 | 109.5° | 109.5° |
| H361 | C36 | H363 | 109.5° | 109.4° |
| H373 | C37 | H371 | 109.4° | 109.4° |
| H373 | C37 | H372 | 109.5° | 109.5° |
| H371 | C37 | H372 | 109.5° | 109.5° |
| H072 | C07 | H071 | 109.4° | 109.4° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H092 | C09 | H091 | 109.5° | 109.5° |
| H382 | C38 | H383 | 109.4° | 109.4° |
| H382 | C38 | H381 | 109.5° | 109.5° |
| H383 | C38 | H381 | 109.5° | 109.5° |
| H391 | C39 | H392 | 109.5° | 109.5° |
| HC2 | C | HC1 | 109.5° | 109.5° |
| HC2 | C | HC3 | 109.5° | 109.5° |
| HC1 | C | HC3 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C20 | C19 | C18 | 133.5° | 133.5° |
| C31 | C20 | C19 | C21 | 125.5° | 125.5° |
| C31 | C20 | C19 | H201 | 116.4° | 116.4° |
| C31 | C20 | C21 | H201 | 122.1° | 122.1° |
| C31 | C20 | C21 | O10 | 145.8° | 145.8° |
| C31 | C20 | C21 | C22 | 25.0° | 25.0° |
| C31 | C20 | C19 | H191 | 46.5° | 46.5° |
| C31 | C20 | C21 | H211 | 96.4° | 96.4° |
| C20 | C31 | H313 | H312 | 120.0° | 120.0° |
| C20 | C31 | H313 | H311 | 120.0° | 120.0° |
| C20 | C31 | H312 | H311 | 120.0° | 120.0° |
| C19 | C18 | C17 | H181 | 180.0° | 180.0° |
| C18 | C19 | C20 | H191 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 101.0° | 101.0° |
| C19 | C18 | C17 | C16 | 17.7° | 17.7° |
| C19 | C18 | C17 | H171 | 162.4° | 162.4° |
| C18 | C19 | C20 | H201 | 17.1° | 17.1° |
| C17 | C18 | C19 | C20 | 139.2° | 139.2° |
| C18 | C17 | C16 | H171 | 180.0° | 180.0° |
| C18 | C17 | C16 | C30 | 88.4° | 88.4° |
| C18 | C17 | C16 | C15 | 80.6° | 80.6° |
| C17 | C18 | C19 | H191 | 40.8° | 40.8° |
| C19 | C20 | C21 | H201 | 118.3° | 118.3° |
| C19 | C20 | C21 | O10 | 94.6° | 94.6° |
| C19 | C20 | C21 | C22 | 144.5° | 144.5° |
| C20 | C19 | C18 | H181 | 40.7° | 40.7° |
| C19 | C20 | C21 | H211 | 23.2° | 23.2° |
| C19 | C20 | C31 | H313 | 180.0° | 180.0° |
| C19 | C20 | C31 | H312 | 60.0° | 60.0° |
| C19 | C20 | C31 | H311 | 60.0° | 60.0° |
| C20 | C21 | C22 | C32 | 49.3° | 49.3° |
| C20 | C21 | O10 | C22 | 126.5° | 126.5° |
| C20 | C21 | O10 | H211 | 116.4° | 116.4° |
| C20 | C21 | C22 | H211 | 121.3° | 121.3° |
| C20 | C21 | C22 | C23 | 170.4° | 170.4° |
| C21 | C20 | C19 | H191 | 78.9° | 78.9° |
| C20 | C21 | C22 | H221 | 71.4° | 71.4° |
| C21 | C20 | C31 | H313 | 58.2° | 58.2° |
| C21 | C20 | C31 | H312 | 61.8° | 61.8° |
| C21 | C20 | C31 | H311 | 178.2° | 178.2° |
| C20 | C21 | O10 | H101 | 180.0° | 180.0° |
| C17 | C16 | C30 | C15 | 168.9° | 168.9° |
| C17 | C16 | C15 | O11 | 10.6° | 10.6° |
| C17 | C16 | C15 | N1 | 169.9° | 169.9° |
| C16 | C17 | C18 | H181 | 162.4° | 162.4° |
| C17 | C16 | C30 | H302 | 180.0° | 180.0° |
| C17 | C16 | C30 | H303 | 60.0° | 60.0° |
| C17 | C16 | C30 | H301 | 60.0° | 60.0° |
| C32 | C22 | C21 | O10 | 71.0° | 71.0° |
| C32 | C22 | C21 | C23 | 121.1° | 121.1° |
| C32 | C22 | C21 | H221 | 120.8° | 120.8° |
| C32 | C22 | C23 | H221 | 119.0° | 119.0° |
| C32 | C22 | C23 | O9 | 114.8° | 114.8° |
| C32 | C22 | C23 | C24 | 125.2° | 125.2° |
| C32 | C22 | C21 | H211 | 170.7° | 170.7° |
| C32 | C22 | C23 | H231 | 4.3° | 4.3° |
| C22 | C32 | H323 | H321 | 120.0° | 120.0° |
| C22 | C32 | H323 | H322 | 120.0° | 120.0° |
| C22 | C32 | H321 | H322 | 120.0° | 120.0° |
| O10 | C21 | C22 | H211 | 118.4° | 118.4° |
| O10 | C21 | C22 | C23 | 50.1° | 50.1° |
| O10 | C21 | C20 | H201 | 23.7° | 23.7° |
| O10 | C21 | C22 | H221 | 168.2° | 168.2° |
| C21 | C22 | C23 | H221 | 118.2° | 118.2° |
| C21 | C22 | C23 | O9 | 7.9° | 7.9° |
| C21 | C22 | C23 | C24 | 112.1° | 112.1° |
| C22 | C21 | C20 | H201 | 97.2° | 97.2° |
| C21 | C22 | C23 | H231 | 127.0° | 127.0° |
| C21 | C22 | C32 | H323 | 180.0° | 180.0° |
| C21 | C22 | C32 | H321 | 60.0° | 60.0° |
| C21 | C22 | C32 | H322 | 60.0° | 60.0° |
| C22 | C21 | O10 | H101 | 53.5° | 53.5° |
| C30 | C16 | C15 | O11 | 158.4° | 158.4° |
| C30 | C16 | C15 | N1 | 21.1° | 21.1° |
| C30 | C16 | C17 | H171 | 91.5° | 91.5° |
| C16 | C30 | H302 | H303 | 120.0° | 120.0° |
| C16 | C30 | H302 | H301 | 120.0° | 120.0° |
| C16 | C30 | H303 | H301 | 120.0° | 120.0° |
| C16 | C15 | O11 | N1 | 179.6° | 179.6° |
| C16 | C15 | N1 | C2 | 179.5° | 179.5° |
| C15 | C16 | C17 | H171 | 99.4° | 99.4° |
| C15 | C16 | C30 | H302 | 11.1° | 11.1° |
| C15 | C16 | C30 | H303 | 131.1° | 131.1° |
| C15 | C16 | C30 | H301 | 108.9° | 108.9° |
| C16 | C15 | N1 | H11 | 0.6° | 0.6° |
| C22 | C23 | O9 | C24 | 125.0° | 125.0° |
| C22 | C23 | O9 | H231 | 117.7° | 117.7° |
| C22 | C23 | C24 | H231 | 120.8° | 120.8° |
| C22 | C23 | C24 | C33 | 47.5° | 47.5° |
| C22 | C23 | C24 | C25 | 169.1° | 169.1° |
| C23 | C22 | C21 | H211 | 68.3° | 68.3° |
| C22 | C23 | C24 | H241 | 73.5° | 73.5° |
| C23 | C22 | C32 | H323 | 59.3° | 59.3° |
| C23 | C22 | C32 | H321 | 179.3° | 179.3° |
| C23 | C22 | C32 | H322 | 60.8° | 60.8° |
| C22 | C23 | O9 | H91 | 180.0° | 180.0° |
| O9 | C23 | C24 | H231 | 118.6° | 118.6° |
| O9 | C23 | C24 | C33 | 168.2° | 168.2° |
| O9 | C23 | C24 | C25 | 70.2° | 70.2° |
| O9 | C23 | C22 | H221 | 126.2° | 126.2° |
| O9 | C23 | C24 | H241 | 47.2° | 47.2° |
| C23 | C24 | C33 | C25 | 119.7° | 119.7° |
| C23 | C24 | C33 | H241 | 120.9° | 120.9° |
| C23 | C24 | C25 | H241 | 117.5° | 117.5° |
| C23 | C24 | C25 | O7 | 109.0° | 109.0° |
| C23 | C24 | C25 | C26 | 129.0° | 129.0° |
| C24 | C23 | C22 | H221 | 6.2° | 6.2° |
| C23 | C24 | C25 | H251 | 10.9° | 10.9° |
| C23 | C24 | C33 | H331 | 180.0° | 180.0° |
| C23 | C24 | C33 | H333 | 60.0° | 60.0° |
| C23 | C24 | C33 | H332 | 60.0° | 60.0° |
| C24 | C23 | O9 | H91 | 55.0° | 55.0° |
| O11 | C15 | N1 | C2 | 0.1° | 0.1° |
| O11 | C15 | N1 | H11 | 179.9° | 179.9° |
| C15 | N1 | C2 | H11 | 180.0° | 180.0° |
| C15 | N1 | C2 | C3 | 95.8° | 95.8° |
| C15 | N1 | C2 | C1 | 83.8° | 83.8° |
| C33 | C24 | C25 | H241 | 119.5° | 119.5° |
| C33 | C24 | C25 | O7 | 14.0° | 14.0° |
| C33 | C24 | C25 | C26 | 108.0° | 108.0° |
| C33 | C24 | C23 | H231 | 73.3° | 73.3° |
| C33 | C24 | C25 | H251 | 133.9° | 133.9° |
| C24 | C33 | H331 | H333 | 120.0° | 120.0° |
| C24 | C33 | H331 | H332 | 120.0° | 120.0° |
| C24 | C33 | H333 | H332 | 120.0° | 120.0° |
| N1 | C2 | C3 | O01 | 0.3° | 0.3° |
| N1 | C2 | C3 | C1 | 179.5° | 179.5° |
| N1 | C2 | C3 | C4 | 180.0° | 180.0° |
| N1 | C2 | C1 | O1 | 0.2° | 0.2° |
| N1 | C2 | C1 | C9 | 179.8° | 179.8° |
| C24 | C25 | O7 | C35 | 100.7° | 100.7° |
| C24 | C25 | O7 | C26 | 121.8° | 121.8° |
| C24 | C25 | O7 | H251 | 118.8° | 118.8° |
| C24 | C25 | C26 | H251 | 118.1° | 118.1° |
| C24 | C25 | C26 | C34 | 72.6° | 72.6° |
| C24 | C25 | C26 | C27 | 165.3° | 165.3° |
| C25 | C24 | C23 | H231 | 48.4° | 48.4° |
| C24 | C25 | C26 | H261 | 45.4° | 45.4° |
| C25 | C24 | C33 | H331 | 60.3° | 60.3° |
| C25 | C24 | C33 | H333 | 179.7° | 179.7° |
| C25 | C24 | C33 | H332 | 59.7° | 59.7° |
| O8 | C35 | C36 | O7 | 173.5° | 173.5° |
| O8 | C35 | O7 | C25 | 32.3° | 32.3° |
| O8 | C35 | C36 | H362 | 0.0° | 0.0° |
| O8 | C35 | C36 | H361 | 120.0° | 120.0° |
| O8 | C35 | C36 | H363 | 120.0° | 120.0° |
| C36 | C35 | O7 | C25 | 154.3° | 154.3° |
| C35 | C36 | H362 | H361 | 120.0° | 120.0° |
| C35 | C36 | H362 | H363 | 120.0° | 120.0° |
| C35 | C36 | H361 | H363 | 120.0° | 120.0° |
| C04 | C03 | C01 | H031 | 180.0° | 180.0° |
| C03 | C04 | C05 | H041 | 180.0° | 180.0° |
| C04 | C03 | C01 | O01 | 180.0° | 180.0° |
| C04 | C03 | C01 | C02 | 0.1° | 0.1° |
| C03 | C04 | C05 | C06 | 0.1° | 0.1° |
| C03 | C04 | C05 | H051 | 180.0° | 180.0° |
| C01 | C03 | C04 | C05 | 0.0° | 0.0° |
| C03 | C01 | O01 | C02 | 179.9° | 179.9° |
| C03 | C01 | O01 | C3 | 180.0° | 180.0° |
| C03 | C01 | C02 | C06 | 0.1° | 0.1° |
| C03 | C01 | C02 | N3 | 180.0° | 180.0° |
| C01 | C03 | C04 | H041 | 180.0° | 180.0° |
| C35 | O7 | C25 | C26 | 137.5° | 137.5° |
| C35 | O7 | C25 | H251 | 18.1° | 18.1° |
| O7 | C35 | C36 | H362 | 173.4° | 173.4° |
| O7 | C35 | C36 | H361 | 53.5° | 53.4° |
| O7 | C35 | C36 | H363 | 66.5° | 66.5° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C04 | C05 | C06 | C02 | 0.1° | 0.1° |
| C04 | C05 | C06 | O | 179.9° | 179.9° |
| C05 | C04 | C03 | H031 | 180.0° | 180.0° |
| C01 | O01 | C3 | C2 | 179.9° | 179.9° |
| C01 | O01 | C3 | C4 | 0.2° | 0.2° |
| O01 | C01 | C02 | C06 | 180.0° | 180.0° |
| O01 | C01 | C02 | N3 | 0.1° | 0.1° |
| O01 | C01 | C03 | H031 | 0.0° | 0.0° |
| C3 | O01 | C01 | C02 | 0.1° | 0.1° |
| O01 | C3 | C2 | C4 | 179.7° | 179.7° |
| O01 | C3 | C2 | C1 | 179.9° | 179.9° |
| O01 | C3 | C4 | N3 | 0.2° | 0.2° |
| O01 | C3 | C4 | C10 | 179.8° | 179.8° |
| O7 | C25 | C26 | H251 | 120.5° | 120.5° |
| O7 | C25 | C26 | C34 | 166.0° | 166.0° |
| O7 | C25 | C26 | C27 | 43.9° | 43.9° |
| O7 | C25 | C24 | H241 | 133.5° | 133.5° |
| O7 | C25 | C26 | H261 | 76.0° | 76.0° |
| C25 | C26 | C34 | C27 | 123.5° | 123.5° |
| C25 | C26 | C34 | H261 | 117.9° | 117.9° |
| C25 | C26 | C27 | H261 | 119.9° | 119.9° |
| C25 | C26 | C27 | O6 | 16.0° | 16.0° |
| C25 | C26 | C27 | C28 | 176.3° | 176.3° |
| C26 | C25 | C24 | H241 | 11.6° | 11.6° |
| C25 | C26 | C27 | H271 | 80.5° | 80.5° |
| C25 | C26 | C34 | H341 | 180.0° | 180.0° |
| C25 | C26 | C34 | H343 | 60.0° | 60.0° |
| C25 | C26 | C34 | H342 | 60.0° | 60.0° |
| C01 | C02 | C06 | C05 | 0.0° | 0.0° |
| C01 | C02 | C06 | N3 | 179.9° | 179.9° |
| C01 | C02 | C06 | O | 179.9° | 179.9° |
| C01 | C02 | N3 | C4 | 0.1° | 0.1° |
| C02 | C01 | C03 | H031 | 179.9° | 179.9° |
| C3 | C2 | C1 | O1 | 179.8° | 179.8° |
| C3 | C2 | C1 | C9 | 0.2° | 0.2° |
| C2 | C3 | C4 | N3 | 179.9° | 179.9° |
| C2 | C3 | C4 | C10 | 0.1° | 0.1° |
| C3 | C2 | N1 | H11 | 84.3° | 84.3° |
| C1 | C2 | C3 | C4 | 0.4° | 0.4° |
| C2 | C1 | O1 | C9 | 180.0° | 180.0° |
| C2 | C1 | C9 | C10 | 0.2° | 0.2° |
| C2 | C1 | C9 | C8 | 179.9° | 179.9° |
| C1 | C2 | N1 | H11 | 96.2° | 96.2° |
| C3 | C4 | N3 | C02 | 0.2° | 0.2° |
| C3 | C4 | N3 | C10 | 180.0° | 180.0° |
| C3 | C4 | C10 | C9 | 0.3° | 0.3° |
| C3 | C4 | C10 | C5 | 179.6° | 179.6° |
| O1 | C1 | C9 | C10 | 179.7° | 179.7° |
| O1 | C1 | C9 | C8 | 0.1° | 0.1° |
| C05 | C06 | C02 | O | 179.8° | 179.8° |
| C05 | C06 | C02 | N3 | 179.9° | 179.9° |
| C05 | C06 | O | C07 | 0.9° | 0.9° |
| C06 | C05 | C04 | H041 | 180.0° | 179.9° |
| C34 | C26 | C27 | H261 | 118.8° | 118.8° |
| C34 | C26 | C27 | O6 | 105.3° | 105.3° |
| C34 | C26 | C27 | C28 | 62.4° | 62.4° |
| C34 | C26 | C25 | H251 | 45.5° | 45.5° |
| C34 | C26 | C27 | H271 | 158.2° | 158.2° |
| C26 | C34 | H341 | H343 | 120.0° | 120.0° |
| C26 | C34 | H341 | H342 | 120.0° | 120.0° |
| C26 | C34 | H343 | H342 | 120.0° | 120.0° |
| C1 | C9 | C10 | C4 | 0.5° | 0.5° |
| C1 | C9 | C10 | C8 | 179.6° | 179.6° |
| C1 | C9 | C8 | O2 | 1.5° | 1.5° |
| C1 | C9 | C10 | C5 | 180.0° | 180.0° |
| C1 | C9 | C8 | C7 | 170.5° | 170.5° |
| C26 | C27 | O6 | C28 | 167.3° | 167.3° |
| C26 | C27 | O6 | H271 | 96.3° | 96.3° |
| C26 | C27 | O6 | C37 | 169.8° | 169.8° |
| C26 | C27 | C28 | H271 | 95.9° | 95.9° |
| C26 | C27 | C28 | C29 | 23.1° | 23.1° |
| C27 | C26 | C25 | H251 | 76.7° | 76.7° |
| C26 | C27 | C28 | H281 | 156.9° | 156.9° |
| C27 | C26 | C34 | H341 | 56.5° | 56.5° |
| C27 | C26 | C34 | H343 | 63.5° | 63.5° |
| C27 | C26 | C34 | H342 | 176.5° | 176.5° |
| C06 | C02 | N3 | C4 | 179.9° | 179.9° |
| C02 | C06 | O | C07 | 178.9° | 178.9° |
| C02 | C06 | C05 | H051 | 180.0° | 180.0° |
| N3 | C02 | C06 | O | 0.1° | 0.1° |
| C02 | N3 | C4 | C10 | 179.8° | 179.8° |
| C06 | O | C07 | C08 | 168.8° | 168.8° |
| O | C06 | C05 | H051 | 0.1° | 0.1° |
| C06 | O | C07 | H072 | 48.7° | 48.7° |
| C06 | O | C07 | H071 | 71.1° | 71.1° |
| N3 | C4 | C10 | C9 | 179.6° | 179.6° |
| N3 | C4 | C10 | C5 | 0.3° | 0.3° |
| C4 | C10 | C9 | C5 | 179.4° | 179.4° |
| C4 | C10 | C9 | C8 | 179.9° | 179.9° |
| C4 | C10 | C5 | C6 | 174.6° | 174.6° |
| C4 | C10 | C5 | C11 | 3.3° | 3.3° |
| O6 | C27 | C28 | H271 | 96.6° | 96.6° |
| O6 | C27 | C28 | C29 | 169.4° | 169.4° |
| O6 | C27 | C26 | H261 | 136.0° | 136.0° |
| O6 | C27 | C28 | H281 | 10.6° | 10.6° |
| C27 | O6 | C37 | H373 | 180.0° | 180.0° |
| C27 | O6 | C37 | H371 | 60.0° | 60.0° |
| C27 | O6 | C37 | H372 | 60.0° | 60.0° |
| C37 | O6 | C27 | C28 | 22.9° | 22.9° |
| C37 | O6 | C27 | H271 | 73.5° | 73.5° |
| O6 | C37 | H373 | H371 | 120.0° | 120.0° |
| O6 | C37 | H373 | H372 | 120.0° | 120.0° |
| O6 | C37 | H371 | H372 | 120.0° | 120.0° |
| C27 | C28 | C29 | H281 | 180.0° | 180.0° |
| C27 | C28 | C29 | O5 | 170.0° | 170.0° |
| C28 | C27 | C26 | H261 | 56.4° | 56.4° |
| C27 | C28 | C29 | H291 | 10.1° | 10.1° |
| C10 | C9 | C8 | O2 | 178.9° | 178.9° |
| C10 | C9 | C8 | C7 | 9.9° | 9.9° |
| C9 | C10 | C5 | C6 | 4.7° | 4.7° |
| C9 | C10 | C5 | C11 | 177.4° | 177.4° |
| C9 | C8 | O2 | C7 | 169.8° | 169.8° |
| C8 | C9 | C10 | C5 | 0.5° | 0.5° |
| C9 | C8 | C7 | C6 | 12.4° | 12.4° |
| C9 | C8 | C7 | C14 | 168.8° | 168.8° |
| C9 | C8 | O2 | H21 | 1.5° | 1.5° |
| O2 | C8 | C7 | C6 | 178.6° | 178.6° |
| O2 | C8 | C7 | C14 | 22.2° | 22.2° |
| C10 | C5 | C6 | C11 | 178.3° | 178.3° |
| C10 | C5 | C6 | C7 | 1.4° | 1.4° |
| C10 | C5 | C11 | O4 | 14.1° | 14.1° |
| C10 | C5 | C6 | O3 | 178.6° | 178.6° |
| C10 | C5 | C11 | C12 | 166.9° | 166.9° |
| O | C07 | C08 | H072 | 120.1° | 120.1° |
| O | C07 | C08 | H071 | 120.1° | 120.1° |
| O | C07 | C08 | N | 63.6° | 63.6° |
| O | C07 | H072 | H071 | 119.8° | 119.8° |
| O | C07 | C08 | H081 | 176.2° | 176.2° |
| O | C07 | C08 | H082 | 56.5° | 56.5° |
| C8 | C7 | C6 | C5 | 7.1° | 7.1° |
| C8 | C7 | C6 | C14 | 156.8° | 156.8° |
| C8 | C7 | C6 | O3 | 173.0° | 173.0° |
| C8 | C7 | C14 | H143 | 76.8° | 76.8° |
| C8 | C7 | C14 | H141 | 163.1° | 163.2° |
| C8 | C7 | C14 | H142 | 43.2° | 43.2° |
| C7 | C8 | O2 | H21 | 171.3° | 171.3° |
| C07 | C08 | N | H081 | 120.1° | 120.1° |
| C07 | C08 | N | H082 | 120.1° | 120.1° |
| C07 | C08 | N | C39 | 82.7° | 82.7° |
| C07 | C08 | N | C09 | 155.9° | 155.9° |
| C08 | C07 | H072 | H071 | 119.8° | 119.8° |
| C07 | C08 | H081 | H082 | 119.6° | 119.6° |
| C28 | C29 | O5 | H291 | 180.0° | 180.0° |
| C28 | C29 | O5 | C12 | 151.0° | 151.0° |
| C29 | C28 | C27 | H271 | 72.8° | 72.8° |
| C5 | C6 | C7 | O3 | 179.9° | 179.9° |
| C5 | C6 | C7 | C14 | 163.9° | 163.9° |
| C6 | C5 | C11 | O4 | 167.7° | 167.7° |
| C6 | C5 | C11 | C12 | 11.3° | 11.3° |
| C5 | C6 | O3 | C12 | 9.4° | 9.4° |
| C11 | C5 | C6 | C7 | 179.7° | 179.7° |
| C5 | C11 | O4 | C12 | 179.0° | 179.0° |
| C11 | C5 | C6 | O3 | 0.2° | 0.2° |
| C5 | C11 | C12 | O5 | 103.1° | 103.1° |
| C5 | C11 | C12 | O3 | 18.5° | 18.5° |
| C5 | C11 | C12 | C13 | 136.4° | 136.4° |
| C29 | O5 | C12 | C11 | 23.8° | 23.8° |
| C29 | O5 | C12 | O3 | 95.8° | 95.8° |
| C29 | O5 | C12 | C13 | 144.3° | 144.3° |
| O5 | C29 | C28 | H281 | 10.0° | 10.0° |
| C7 | C6 | O3 | C12 | 170.5° | 170.5° |
| C6 | C7 | C14 | H143 | 77.5° | 77.5° |
| C6 | C7 | C14 | H141 | 42.5° | 42.5° |
| C6 | C7 | C14 | H142 | 162.5° | 162.5° |
| C14 | C7 | C6 | O3 | 16.2° | 16.2° |
| C7 | C14 | H143 | H141 | 120.0° | 120.0° |
| C7 | C14 | H143 | H142 | 120.0° | 120.0° |
| C7 | C14 | H141 | H142 | 120.0° | 120.0° |
| O4 | C11 | C12 | O5 | 77.9° | 77.9° |
| O4 | C11 | C12 | O3 | 160.5° | 160.5° |
| O4 | C11 | C12 | C13 | 42.6° | 42.6° |
| C6 | O3 | C12 | C11 | 15.1° | 15.1° |
| C6 | O3 | C12 | O5 | 106.2° | 106.2° |
| C6 | O3 | C12 | C13 | 133.4° | 133.4° |
| C08 | N | C39 | C | 122.4° | 122.4° |
| C08 | N | C39 | C09 | 121.3° | 121.3° |
| C08 | N | C09 | C38 | 172.2° | 172.2° |
| N | C08 | C07 | H072 | 56.5° | 56.5° |
| N | C08 | C07 | H071 | 176.3° | 176.3° |
| N | C08 | H081 | H082 | 119.6° | 119.6° |
| C08 | N | C09 | H092 | 51.7° | 51.7° |
| C08 | N | C09 | H091 | 67.4° | 67.4° |
| C08 | N | C39 | H391 | 2.6° | 2.6° |
| C08 | N | C39 | H392 | 117.8° | 117.8° |
| C11 | C12 | O5 | O3 | 119.7° | 119.7° |
| C11 | C12 | O5 | C13 | 120.4° | 120.4° |
| C11 | C12 | O3 | C13 | 118.4° | 118.4° |
| C11 | C12 | C13 | H131 | 180.0° | 180.0° |
| C11 | C12 | C13 | H132 | 60.0° | 60.0° |
| C11 | C12 | C13 | H133 | 60.0° | 60.0° |
| C | C39 | N | H391 | 119.8° | 119.8° |
| C | C39 | N | H392 | 119.8° | 119.8° |
| C | C39 | N | C09 | 116.3° | 116.3° |
| C | C39 | H391 | H392 | 120.7° | 120.7° |
| C39 | C | HC2 | HC1 | 120.0° | 120.0° |
| C39 | C | HC2 | HC3 | 120.0° | 120.0° |
| C39 | C | HC1 | HC3 | 119.9° | 119.9° |
| O5 | C12 | O3 | C13 | 120.3° | 120.3° |
| O5 | C12 | C13 | H131 | 58.7° | 58.7° |
| O5 | C12 | C13 | H132 | 178.8° | 178.8° |
| O5 | C12 | C13 | H133 | 61.2° | 61.3° |
| C12 | O5 | C29 | H291 | 29.0° | 29.0° |
| C39 | N | C09 | C38 | 66.4° | 66.4° |
| C39 | N | C08 | H081 | 157.1° | 157.1° |
| C39 | N | C08 | H082 | 37.4° | 37.4° |
| C39 | N | C09 | H092 | 173.1° | 173.1° |
| C39 | N | C09 | H091 | 54.1° | 54.1° |
| N | C39 | H391 | H392 | 120.7° | 120.7° |
| N | C39 | C | HC2 | 180.0° | 180.0° |
| N | C39 | C | HC1 | 60.0° | 60.0° |
| N | C39 | C | HC3 | 60.0° | 60.0° |
| N | C09 | C38 | H092 | 120.5° | 120.5° |
| N | C09 | C38 | H091 | 120.5° | 120.5° |
| C09 | N | C08 | H081 | 35.8° | 35.8° |
| C09 | N | C08 | H082 | 84.0° | 84.0° |
| N | C09 | H092 | H091 | 118.5° | 118.5° |
| N | C09 | C38 | H382 | 180.0° | 180.0° |
| N | C09 | C38 | H383 | 60.0° | 60.0° |
| N | C09 | C38 | H381 | 60.0° | 60.0° |
| C09 | N | C39 | H391 | 124.0° | 124.0° |
| C09 | N | C39 | H392 | 3.5° | 3.5° |
| O3 | C12 | C13 | H131 | 62.6° | 62.6° |
| O3 | C12 | C13 | H132 | 57.5° | 57.5° |
| O3 | C12 | C13 | H133 | 177.5° | 177.4° |
| C12 | C13 | H131 | H132 | 120.0° | 120.0° |
| C12 | C13 | H131 | H133 | 120.0° | 120.0° |
| C12 | C13 | H132 | H133 | 120.0° | 120.0° |
| C38 | C09 | H092 | H091 | 118.5° | 118.5° |
| C09 | C38 | H382 | H383 | 120.0° | 120.0° |
| C09 | C38 | H382 | H381 | 120.0° | 120.0° |
| C09 | C38 | H383 | H381 | 120.0° | 120.0° |
| H131 | C13 | H132 | H133 | 120.0° | 120.0° |
| H143 | C14 | H141 | H142 | 120.0° | 120.0° |
| H171 | C17 | C18 | H181 | 17.6° | 17.6° |
| H181 | C18 | C19 | H191 | 139.3° | 139.3° |
| H191 | C19 | C20 | H201 | 162.9° | 162.9° |
| H201 | C20 | C21 | H211 | 141.5° | 141.5° |
| H201 | C20 | C31 | H313 | 63.8° | 63.8° |
| H201 | C20 | C31 | H312 | 176.3° | 176.3° |
| H201 | C20 | C31 | H311 | 56.3° | 56.3° |
| H211 | C21 | C22 | H221 | 49.9° | 49.9° |
| H211 | C21 | O10 | H101 | 63.6° | 63.6° |
| H221 | C22 | C23 | H231 | 114.7° | 114.7° |
| H221 | C22 | C32 | H323 | 59.4° | 59.4° |
| H221 | C22 | C32 | H321 | 60.6° | 60.6° |
| H221 | C22 | C32 | H322 | 179.5° | 179.5° |
| H231 | C23 | C24 | H241 | 165.7° | 165.7° |
| H231 | C23 | O9 | H91 | 62.3° | 62.3° |
| H241 | C24 | C25 | H251 | 106.5° | 106.5° |
| H241 | C24 | C33 | H331 | 59.1° | 59.1° |
| H241 | C24 | C33 | H333 | 60.9° | 60.9° |
| H241 | C24 | C33 | H332 | 179.1° | 179.1° |
| H251 | C25 | C26 | H261 | 163.4° | 163.4° |
| H261 | C26 | C27 | H271 | 39.5° | 39.5° |
| H261 | C26 | C34 | H341 | 62.1° | 62.1° |
| H261 | C26 | C34 | H343 | 177.9° | 177.9° |
| H261 | C26 | C34 | H342 | 57.9° | 57.9° |
| H271 | C27 | C28 | H281 | 107.2° | 107.2° |
| H281 | C28 | C29 | H291 | 170.0° | 170.0° |
| H302 | C30 | H303 | H301 | 120.0° | 120.0° |
| H313 | C31 | H312 | H311 | 120.0° | 120.0° |
| H323 | C32 | H321 | H322 | 120.0° | 120.0° |
| H331 | C33 | H333 | H332 | 120.0° | 120.0° |
| H341 | C34 | H343 | H342 | 120.0° | 120.0° |
| H362 | C36 | H361 | H363 | 120.0° | 120.0° |
| H373 | C37 | H371 | H372 | 120.0° | 120.0° |
| H031 | C03 | C04 | H041 | 0.0° | 0.0° |
| H041 | C04 | C05 | H051 | 0.0° | 0.0° |
| H072 | C07 | C08 | H081 | 63.7° | 63.7° |
| H072 | C07 | C08 | H082 | 176.6° | 176.6° |
| H071 | C07 | C08 | H081 | 56.2° | 56.2° |
| H071 | C07 | C08 | H082 | 63.5° | 63.5° |
| H092 | C09 | C38 | H382 | 59.5° | 59.5° |
| H092 | C09 | C38 | H383 | 179.5° | 179.5° |
| H092 | C09 | C38 | H381 | 60.5° | 60.5° |
| H091 | C09 | C38 | H382 | 59.5° | 59.5° |
| H091 | C09 | C38 | H383 | 60.5° | 60.5° |
| H091 | C09 | C38 | H381 | 179.5° | 179.5° |
| H382 | C38 | H383 | H381 | 120.0° | 120.0° |
| H391 | C39 | C | HC2 | 60.2° | 60.2° |
| H391 | C39 | C | HC1 | 59.8° | 59.8° |
| H391 | C39 | C | HC3 | 179.7° | 179.7° |
| H392 | C39 | C | HC2 | 60.3° | 60.3° |
| H392 | C39 | C | HC1 | 179.7° | 179.7° |
| H392 | C39 | C | HC3 | 59.8° | 59.8° |
| HC2 | C | HC1 | HC3 | 120.0° | 120.0° |
