EUA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C11 | doub | 1.16Å | 1.15Å | |
| C14 | C13 | doub | 1.41Å | 1.39Å | Aromatic |
| C14 | C06 | sing | 1.41Å | 1.36Å | Aromatic |
| C13 | C09 | sing | 1.42Å | 1.37Å | Aromatic |
| C11 | C42 | sing | 1.53Å | 1.50Å | |
| C11 | N10 | sing | 1.32Å | 1.42Å | |
| C41 | C42 | sing | 1.51Å | 1.52Å | |
| C41 | N40 | sing | 1.44Å | 1.28Å | |
| C05 | C06 | sing | 1.54Å | 1.55Å | |
| C05 | C04 | sing | 1.43Å | 1.52Å | |
| C06 | C07 | doub | 1.37Å | 1.37Å | Aromatic |
| C09 | N10 | sing | 1.40Å | 1.48Å | |
| C09 | C08 | doub | 1.40Å | 1.38Å | Aromatic |
| N40 | C39 | sing | 1.47Å | 1.35Å | |
| N40 | C43 | sing | 1.44Å | 1.31Å | |
| C39 | C38 | sing | 1.61Å | 1.52Å | |
| C28 | C27 | sing | 1.46Å | 1.51Å | |
| C28 | C29 | sing | 1.47Å | 1.57Å | |
| N03 | C04 | sing | 1.50Å | 1.43Å | |
| N03 | C02 | sing | 1.27Å | 1.44Å | |
| C07 | C08 | sing | 1.34Å | 1.35Å | Aromatic |
| O26 | C15 | doub | 1.21Å | 1.10Å | |
| C04 | C15 | sing | 1.53Å | 1.51Å | |
| O57 | S49 | doub | 1.42Å | 1.38Å | |
| C43 | C44 | sing | 1.56Å | 1.54Å | |
| C15 | N16 | sing | 1.35Å | 1.44Å | |
| C27 | C02 | sing | 1.49Å | 1.53Å | |
| C27 | N48 | sing | 1.52Å | 1.39Å | |
| C30 | C29 | doub | 1.36Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.37Å | 1.37Å | Aromatic |
| C29 | C47 | sing | 1.39Å | 1.40Å | Aromatic |
| C38 | N37 | sing | 1.43Å | 1.35Å | |
| C02 | O01 | doub | 1.24Å | 1.13Å | |
| C55 | C54 | doub | 1.38Å | 1.37Å | Aromatic |
| C55 | C50 | sing | 1.38Å | 1.35Å | Aromatic |
| C31 | C32 | doub | 1.42Å | 1.37Å | Aromatic |
| N16 | C17 | sing | 1.46Å | 1.43Å | |
| S49 | N48 | sing | 1.66Å | 1.65Å | |
| S49 | C50 | sing | 1.76Å | 1.76Å | |
| S49 | O56 | doub | 1.42Å | 1.30Å | |
| C47 | C46 | doub | 1.43Å | 1.37Å | Aromatic |
| C44 | N37 | sing | 1.56Å | 1.37Å | |
| C54 | C53 | sing | 1.38Å | 1.34Å | Aromatic |
| C50 | C51 | doub | 1.38Å | 1.31Å | Aromatic |
| N37 | C36 | sing | 1.49Å | 1.30Å | |
| C17 | C18 | sing | 1.51Å | 1.59Å | |
| C32 | C46 | sing | 1.35Å | 1.36Å | Aromatic |
| C32 | N33 | sing | 1.41Å | 1.42Å | |
| C53 | C52 | doub | 1.38Å | 1.34Å | Aromatic |
| C51 | C52 | sing | 1.38Å | 1.33Å | Aromatic |
| O45 | C34 | doub | 1.14Å | 1.14Å | |
| C36 | C35 | sing | 1.54Å | 1.59Å | |
| N33 | C34 | sing | 1.33Å | 1.43Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | doub | 1.38Å | 1.32Å | Aromatic |
| C18 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.35Å | Aromatic |
| C24 | C21 | sing | 1.38Å | 1.32Å | Aromatic |
| C21 | C22 | sing | 1.51Å | 1.52Å | |
| C22 | N23 | sing | 1.47Å | 1.44Å | |
| C04 | H041 | sing | 1.11Å | 1.10Å | |
| C05 | H051 | sing | 1.12Å | 1.10Å | |
| C05 | H052 | sing | 1.06Å | 1.10Å | |
| C07 | H071 | sing | 1.07Å | 1.08Å | |
| C08 | H081 | sing | 1.06Å | 1.08Å | |
| C13 | H131 | sing | 1.06Å | 1.08Å | |
| C14 | H141 | sing | 1.03Å | 1.08Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.10Å | |
| C28 | H281 | sing | 1.12Å | 1.10Å | |
| C28 | H282 | sing | 1.08Å | 1.10Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.13Å | 1.08Å | |
| C35 | H352 | sing | 1.13Å | 1.10Å | |
| C35 | H351 | sing | 1.06Å | 1.10Å | |
| C36 | H362 | sing | 1.13Å | 1.10Å | |
| C36 | H361 | sing | 1.12Å | 1.10Å | |
| C38 | H381 | sing | 1.08Å | 1.10Å | |
| C38 | H382 | sing | 1.12Å | 1.10Å | |
| C39 | H392 | sing | 1.01Å | 1.10Å | |
| C39 | H391 | sing | 1.14Å | 1.10Å | |
| C41 | H411 | sing | 1.10Å | 1.10Å | |
| C41 | H412 | sing | 1.14Å | 1.10Å | |
| C42 | H421 | sing | 1.06Å | 1.10Å | |
| C42 | H422 | sing | 1.06Å | 1.10Å | |
| C43 | H431 | sing | 1.10Å | 1.10Å | |
| C43 | H432 | sing | 1.12Å | 1.10Å | |
| C44 | H441 | sing | 1.10Å | 1.10Å | |
| C44 | H442 | sing | 1.05Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.08Å | |
| C47 | H471 | sing | 1.07Å | 1.08Å | |
| C51 | H511 | sing | 1.08Å | 1.08Å | |
| C52 | H521 | sing | 1.08Å | 1.08Å | |
| C53 | H531 | sing | 1.08Å | 1.08Å | |
| C54 | H541 | sing | 1.08Å | 1.08Å | |
| C55 | H551 | sing | 1.08Å | 1.08Å | |
| N03 | H031 | sing | 0.98Å | 1.00Å | |
| N10 | H101 | sing | 0.96Å | 1.00Å | |
| N16 | H161 | sing | 0.97Å | 1.00Å | |
| N23 | H1 | sing | 1.01Å | 1.00Å | |
| N23 | H232 | sing | 1.01Å | 1.00Å | |
| N33 | H331 | sing | 0.99Å | 1.00Å | |
| N48 | H481 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C11 | C42 | 123.1° | 122.0° |
| O12 | C11 | N10 | 119.3° | 115.5° |
| C13 | C14 | C06 | 120.6° | 117.8° |
| C14 | C13 | C09 | 120.2° | 120.1° |
| C14 | C13 | H131 | 119.9° | 121.4° |
| C13 | C14 | H141 | 119.7° | 120.1° |
| C14 | C06 | C05 | 122.7° | 119.5° |
| C14 | C06 | C07 | 119.0° | 121.3° |
| C06 | C14 | H141 | 119.7° | 121.9° |
| C13 | C09 | N10 | 126.5° | 115.3° |
| C13 | C09 | C08 | 117.8° | 117.7° |
| C09 | C13 | H131 | 119.9° | 118.5° |
| C42 | C11 | N10 | 117.6° | 122.5° |
| C11 | C42 | C41 | 114.9° | 106.6° |
| C11 | C42 | H421 | 108.1° | 111.1° |
| C11 | C42 | H422 | 108.1° | 111.5° |
| C11 | N10 | C09 | 124.0° | 129.4° |
| C11 | N10 | H101 | 118.0° | 119.4° |
| C42 | C41 | N40 | 118.7° | 110.9° |
| C42 | C41 | H411 | 107.1° | 112.2° |
| C42 | C41 | H412 | 107.1° | 112.8° |
| C41 | C42 | H421 | 108.1° | 106.7° |
| C41 | C42 | H422 | 108.1° | 109.6° |
| C41 | N40 | C39 | 117.0° | 115.8° |
| C41 | N40 | C43 | 114.8° | 115.3° |
| N40 | C41 | H411 | 107.1° | 106.7° |
| N40 | C41 | H412 | 107.1° | 106.0° |
| C06 | C05 | C04 | 109.6° | 113.1° |
| C05 | C06 | C07 | 118.4° | 119.1° |
| C06 | C05 | H051 | 109.5° | 108.0° |
| C06 | C05 | H052 | 109.4° | 106.3° |
| C05 | C04 | N03 | 109.4° | 113.8° |
| C05 | C04 | C15 | 113.9° | 111.7° |
| C05 | C04 | H041 | 108.7° | 115.8° |
| C04 | C05 | H051 | 109.4° | 107.8° |
| C04 | C05 | H052 | 109.5° | 112.4° |
| C06 | C07 | C08 | 120.6° | 120.8° |
| C06 | C07 | H071 | 119.7° | 119.1° |
| N10 | C09 | C08 | 115.7° | 127.0° |
| C09 | N10 | H101 | 118.0° | 111.0° |
| C09 | C08 | C07 | 121.8° | 122.0° |
| C09 | C08 | H081 | 119.1° | 116.5° |
| C39 | N40 | C43 | 118.7° | 109.9° |
| N40 | C39 | C38 | 112.0° | 108.4° |
| N40 | C39 | H392 | 108.8° | 111.5° |
| N40 | C39 | H391 | 108.8° | 108.1° |
| N40 | C43 | C44 | 112.9° | 114.3° |
| N40 | C43 | H431 | 108.6° | 108.3° |
| N40 | C43 | H432 | 108.6° | 106.8° |
| C39 | C38 | N37 | 113.4° | 113.1° |
| C39 | C38 | H381 | 108.5° | 106.0° |
| C39 | C38 | H382 | 108.5° | 102.3° |
| C38 | C39 | H392 | 108.8° | 111.6° |
| C38 | C39 | H391 | 108.8° | 105.8° |
| C27 | C28 | C29 | 116.6° | 113.5° |
| C28 | C27 | C02 | 109.9° | 114.4° |
| C28 | C27 | N48 | 109.8° | 107.6° |
| C28 | C27 | H271 | 109.1° | 115.1° |
| C27 | C28 | H281 | 107.7° | 107.2° |
| C27 | C28 | H282 | 107.6° | 109.3° |
| C28 | C29 | C30 | 119.1° | 119.4° |
| C28 | C29 | C47 | 122.4° | 120.6° |
| C29 | C28 | H281 | 107.7° | 113.3° |
| C29 | C28 | H282 | 107.7° | 111.2° |
| C04 | N03 | C02 | 118.5° | 124.9° |
| N03 | C04 | C15 | 106.0° | 106.0° |
| N03 | C04 | H041 | 110.0° | 104.3° |
| C04 | N03 | H031 | 120.8° | 110.6° |
| N03 | C02 | C27 | 112.9° | 124.0° |
| N03 | C02 | O01 | 123.3° | 118.0° |
| C02 | N03 | H031 | 120.7° | 124.5° |
| C08 | C07 | H071 | 119.7° | 120.1° |
| C07 | C08 | H081 | 119.1° | 121.3° |
| O26 | C15 | C04 | 124.8° | 120.0° |
| O26 | C15 | N16 | 119.4° | 120.0° |
| C04 | C15 | N16 | 115.8° | 120.0° |
| C15 | C04 | H041 | 108.9° | 104.3° |
| O57 | S49 | N48 | 111.0° | 106.5° |
| O57 | S49 | C50 | 112.2° | 106.4° |
| O57 | S49 | O56 | 111.5° | 123.1° |
| C43 | C44 | N37 | 113.1° | 106.8° |
| C44 | C43 | H431 | 108.6° | 109.0° |
| C44 | C43 | H432 | 108.6° | 108.1° |
| C43 | C44 | H441 | 108.5° | 108.3° |
| C43 | C44 | H442 | 108.5° | 112.9° |
| C15 | N16 | C17 | 122.7° | 120.0° |
| C15 | N16 | H161 | 118.7° | 120.0° |
| C02 | C27 | N48 | 108.2° | 108.3° |
| C27 | C02 | O01 | 123.7° | 117.7° |
| C02 | C27 | H271 | 108.8° | 105.8° |
| C27 | N48 | S49 | 112.2° | 120.0° |
| N48 | C27 | H271 | 110.9° | 105.1° |
| C27 | N48 | H481 | 108.8° | 120.0° |
| C29 | C30 | C31 | 118.2° | 123.6° |
| C30 | C29 | C47 | 118.5° | 119.7° |
| C29 | C30 | H301 | 120.9° | 122.1° |
| C30 | C31 | C32 | 122.9° | 115.9° |
| C31 | C30 | H301 | 120.9° | 114.2° |
| C30 | C31 | H311 | 118.5° | 124.8° |
| C29 | C47 | C46 | 122.4° | 118.5° |
| C29 | C47 | H471 | 118.8° | 118.3° |
| C38 | N37 | C44 | 110.6° | 108.0° |
| C38 | N37 | C36 | 110.9° | 104.6° |
| N37 | C38 | H381 | 108.5° | 109.0° |
| N37 | C38 | H382 | 108.5° | 112.8° |
| C54 | C55 | C50 | 115.8° | 120.0° |
| C55 | C54 | C53 | 122.2° | 120.0° |
| C55 | C54 | H541 | 118.9° | 120.0° |
| C54 | C55 | H551 | 122.1° | 120.0° |
| C55 | C50 | S49 | 121.1° | 120.0° |
| C55 | C50 | C51 | 122.3° | 120.0° |
| C50 | C55 | H551 | 122.1° | 120.0° |
| C31 | C32 | C46 | 119.6° | 122.5° |
| C31 | C32 | N33 | 115.3° | 120.5° |
| C32 | C31 | H311 | 118.6° | 119.1° |
| N16 | C17 | C18 | 104.4° | 109.5° |
| N16 | C17 | H172 | 110.8° | 109.5° |
| N16 | C17 | H171 | 110.7° | 109.5° |
| C17 | N16 | H161 | 118.7° | 120.0° |
| N48 | S49 | C50 | 111.6° | 107.2° |
| N48 | S49 | O56 | 105.7° | 106.4° |
| S49 | N48 | H481 | 108.8° | 120.0° |
| C50 | S49 | O56 | 104.7° | 106.4° |
| S49 | C50 | C51 | 116.5° | 120.0° |
| C47 | C46 | C32 | 118.3° | 119.0° |
| C47 | C46 | H461 | 120.8° | 114.7° |
| C46 | C47 | H471 | 118.8° | 123.1° |
| C44 | N37 | C36 | 110.6° | 107.2° |
| N37 | C44 | H441 | 108.5° | 105.3° |
| N37 | C44 | H442 | 108.6° | 109.3° |
| C54 | C53 | C52 | 118.9° | 120.0° |
| C54 | C53 | H531 | 120.5° | 120.0° |
| C53 | C54 | H541 | 118.9° | 120.0° |
| C50 | C51 | C52 | 121.1° | 120.0° |
| C50 | C51 | H511 | 119.5° | 120.0° |
| N37 | C36 | C35 | 116.7° | 113.7° |
| N37 | C36 | H362 | 107.6° | 107.4° |
| N37 | C36 | H361 | 107.6° | 104.7° |
| C17 | C18 | C19 | 118.1° | 120.0° |
| C17 | C18 | C25 | 122.1° | 120.0° |
| C18 | C17 | H172 | 110.7° | 109.4° |
| C18 | C17 | H171 | 110.7° | 109.4° |
| C46 | C32 | N33 | 125.1° | 117.0° |
| C32 | C46 | H461 | 120.8° | 126.2° |
| C32 | N33 | C34 | 123.5° | 125.5° |
| C32 | N33 | H331 | 118.2° | 118.3° |
| C53 | C52 | C51 | 119.6° | 120.0° |
| C53 | C52 | H521 | 120.2° | 120.0° |
| C52 | C53 | H531 | 120.5° | 120.0° |
| C52 | C51 | H511 | 119.5° | 120.0° |
| C51 | C52 | H521 | 120.2° | 120.0° |
| O45 | C34 | N33 | 119.5° | 118.5° |
| O45 | C34 | C35 | 123.0° | 122.5° |
| C36 | C35 | C34 | 112.6° | 108.9° |
| C36 | C35 | H352 | 108.7° | 108.3° |
| C36 | C35 | H351 | 108.7° | 111.9° |
| C35 | C36 | H362 | 107.7° | 110.1° |
| C35 | C36 | H361 | 107.6° | 110.4° |
| N33 | C34 | C35 | 117.4° | 119.0° |
| C34 | N33 | H331 | 118.3° | 115.9° |
| C34 | C35 | H352 | 108.7° | 109.5° |
| C34 | C35 | H351 | 108.7° | 109.9° |
| C19 | C18 | C25 | 119.7° | 120.0° |
| C18 | C19 | C20 | 119.9° | 120.0° |
| C18 | C19 | H191 | 120.1° | 120.0° |
| C18 | C25 | C24 | 119.6° | 120.0° |
| C18 | C25 | H251 | 120.2° | 120.0° |
| C19 | C20 | C21 | 120.5° | 120.0° |
| C20 | C19 | H191 | 120.0° | 120.0° |
| C19 | C20 | H201 | 119.7° | 120.1° |
| C25 | C24 | C21 | 120.3° | 120.0° |
| C25 | C24 | H241 | 119.9° | 120.0° |
| C24 | C25 | H251 | 120.2° | 120.0° |
| C20 | C21 | C24 | 120.0° | 120.0° |
| C20 | C21 | C22 | 117.9° | 120.0° |
| C21 | C20 | H201 | 119.7° | 119.9° |
| C24 | C21 | C22 | 122.1° | 120.0° |
| C21 | C24 | H241 | 119.9° | 120.0° |
| C21 | C22 | N23 | 110.9° | 109.5° |
| C21 | C22 | H221 | 109.1° | 109.4° |
| C21 | C22 | H222 | 109.1° | 109.5° |
| N23 | C22 | H221 | 109.1° | 109.5° |
| N23 | C22 | H222 | 109.1° | 109.5° |
| C22 | N23 | H1 | 109.5° | 111.0° |
| C22 | N23 | H232 | 109.5° | 111.0° |
| H051 | C05 | H052 | 109.4° | 109.2° |
| H172 | C17 | H171 | 109.5° | 109.4° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 101.5° |
| H352 | C35 | H351 | 109.5° | 108.3° |
| H362 | C36 | H361 | 109.5° | 110.3° |
| H381 | C38 | H382 | 109.5° | 113.5° |
| H392 | C39 | H391 | 109.5° | 111.2° |
| H411 | C41 | H412 | 109.5° | 107.8° |
| H421 | C42 | H422 | 109.5° | 111.1° |
| H431 | C43 | H432 | 109.4° | 110.2° |
| H441 | C44 | H442 | 109.5° | 113.7° |
| H1 | N23 | H232 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C11 | C42 | N10 | 179.4° | 176.1° |
| O12 | C11 | C42 | C41 | 54.3° | 7.6° |
| O12 | C11 | N10 | C09 | 0.2° | 167.5° |
| O12 | C11 | C42 | H421 | 66.5° | 123.4° |
| O12 | C11 | C42 | H422 | 175.1° | 112.1° |
| O12 | C11 | N10 | H101 | 179.8° | 7.6° |
| C13 | C14 | C06 | H141 | 180.0° | 174.7° |
| C14 | C13 | C09 | H131 | 180.0° | 178.9° |
| C13 | C14 | C06 | C05 | 178.8° | 177.8° |
| C13 | C14 | C06 | C07 | 0.0° | 5.8° |
| C14 | C13 | C09 | N10 | 179.1° | 175.9° |
| C14 | C13 | C09 | C08 | 0.9° | 0.5° |
| C06 | C14 | C13 | C09 | 0.1° | 4.2° |
| C14 | C06 | C05 | C07 | 178.8° | 176.5° |
| C14 | C06 | C05 | C04 | 110.3° | 94.6° |
| C14 | C06 | C07 | C08 | 0.7° | 2.5° |
| C14 | C06 | C05 | H051 | 129.7° | 24.5° |
| C14 | C06 | C05 | H052 | 9.7° | 141.6° |
| C14 | C06 | C07 | H071 | 179.3° | 175.3° |
| C06 | C14 | C13 | H131 | 179.9° | 174.7° |
| C13 | C09 | N10 | C11 | 16.3° | 123.6° |
| C13 | C09 | N10 | C08 | 178.2° | 175.9° |
| C13 | C09 | C08 | C07 | 1.6° | 4.0° |
| C13 | C09 | C08 | H081 | 178.4° | 179.4° |
| C09 | C13 | C14 | H141 | 179.9° | 179.0° |
| C13 | C09 | N10 | H101 | 163.8° | 61.0° |
| C11 | C42 | C41 | H421 | 120.8° | 118.8° |
| C11 | C42 | C41 | H422 | 120.8° | 120.9° |
| C11 | C42 | C41 | N40 | 86.0° | 171.3° |
| C42 | C11 | N10 | C09 | 179.6° | 16.2° |
| C11 | C42 | C41 | H411 | 35.3° | 69.4° |
| C11 | C42 | C41 | H412 | 152.7° | 52.6° |
| C11 | C42 | H421 | H422 | 117.5° | 124.8° |
| C42 | C11 | N10 | H101 | 0.4° | 168.7° |
| N10 | C11 | C42 | C41 | 125.1° | 176.4° |
| C11 | N10 | C09 | H101 | 180.0° | 175.4° |
| C11 | N10 | C09 | C08 | 165.5° | 52.3° |
| N10 | C11 | C42 | H421 | 114.1° | 60.5° |
| N10 | C11 | C42 | H422 | 4.3° | 64.0° |
| C42 | C41 | N40 | H411 | 121.3° | 122.5° |
| C42 | C41 | N40 | H412 | 121.3° | 122.8° |
| C42 | C41 | N40 | C39 | 72.8° | 127.4° |
| C42 | C41 | N40 | C43 | 73.2° | 102.2° |
| C42 | C41 | H411 | H412 | 115.8° | 124.8° |
| C41 | C42 | H421 | H422 | 117.6° | 119.4° |
| C41 | N40 | C39 | C43 | 144.7° | 132.9° |
| C41 | N40 | C39 | C38 | 172.0° | 172.0° |
| C41 | N40 | C43 | C44 | 172.4° | 166.7° |
| C41 | N40 | C39 | H392 | 67.7° | 48.8° |
| C41 | N40 | C39 | H391 | 51.6° | 73.8° |
| N40 | C41 | H411 | H412 | 115.8° | 113.5° |
| N40 | C41 | C42 | H421 | 153.2° | 52.6° |
| N40 | C41 | C42 | H422 | 34.8° | 67.8° |
| C41 | N40 | C43 | H431 | 51.9° | 71.6° |
| C41 | N40 | C43 | H432 | 67.0° | 47.1° |
| C06 | C05 | C04 | H051 | 120.1° | 119.3° |
| C06 | C05 | C04 | H052 | 120.0° | 120.3° |
| C06 | C05 | C04 | N03 | 77.4° | 104.8° |
| C05 | C06 | C07 | C08 | 179.6° | 179.0° |
| C06 | C05 | C04 | C15 | 164.2° | 15.3° |
| C06 | C05 | C04 | H041 | 42.6° | 134.4° |
| C06 | C05 | H051 | H052 | 119.9° | 115.2° |
| C05 | C06 | C07 | H071 | 0.4° | 1.2° |
| C05 | C06 | C14 | H141 | 1.2° | 3.1° |
| C04 | C05 | C06 | C07 | 70.9° | 88.9° |
| C05 | C04 | N03 | C15 | 123.2° | 123.2° |
| C05 | C04 | N03 | H041 | 119.2° | 127.1° |
| C05 | C04 | N03 | C02 | 165.8° | 170.2° |
| C05 | C04 | C15 | O26 | 91.1° | 94.2° |
| C05 | C04 | C15 | H041 | 121.4° | 125.8° |
| C05 | C04 | C15 | N16 | 90.5° | 85.9° |
| C04 | C05 | H051 | H052 | 119.9° | 122.4° |
| C05 | C04 | N03 | H031 | 14.2° | 10.3° |
| C06 | C07 | C08 | C09 | 1.6° | 2.5° |
| C06 | C07 | C08 | H071 | 180.0° | 177.8° |
| C07 | C06 | C05 | H051 | 49.2° | 152.0° |
| C07 | C06 | C05 | H052 | 169.1° | 34.9° |
| C06 | C07 | C08 | H081 | 178.4° | 179.0° |
| C07 | C06 | C14 | H141 | 180.0° | 179.5° |
| N10 | C09 | C08 | C07 | 180.0° | 171.9° |
| N10 | C09 | C08 | H081 | 0.0° | 4.7° |
| N10 | C09 | C13 | H131 | 1.0° | 3.0° |
| C09 | C08 | C07 | H081 | 180.0° | 176.4° |
| C09 | C08 | C07 | H071 | 178.4° | 179.6° |
| C08 | C09 | C13 | H131 | 179.1° | 179.4° |
| C08 | C09 | N10 | H101 | 14.4° | 123.1° |
| N40 | C39 | C38 | H392 | 120.4° | 123.2° |
| N40 | C39 | C38 | H391 | 120.4° | 115.7° |
| C39 | N40 | C43 | C44 | 42.2° | 60.1° |
| N40 | C39 | C38 | N37 | 49.0° | 58.9° |
| N40 | C39 | C38 | H381 | 169.6° | 178.3° |
| N40 | C39 | C38 | H382 | 71.6° | 62.6° |
| N40 | C39 | H392 | H391 | 118.8° | 120.7° |
| C39 | N40 | C41 | H411 | 48.5° | 110.1° |
| C39 | N40 | C41 | H412 | 165.9° | 4.7° |
| C39 | N40 | C43 | H431 | 162.7° | 61.6° |
| C39 | N40 | C43 | H432 | 78.4° | 179.7° |
| C43 | N40 | C39 | C38 | 43.3° | 55.0° |
| N40 | C43 | C44 | H431 | 120.5° | 121.4° |
| N40 | C43 | C44 | H432 | 120.5° | 118.8° |
| N40 | C43 | C44 | N37 | 46.3° | 59.4° |
| C43 | N40 | C39 | H392 | 77.0° | 178.3° |
| C43 | N40 | C39 | H391 | 163.7° | 59.2° |
| C43 | N40 | C41 | H411 | 165.5° | 20.4° |
| C43 | N40 | C41 | H412 | 48.1° | 135.1° |
| N40 | C43 | H431 | H432 | 118.4° | 116.5° |
| N40 | C43 | C44 | H441 | 74.2° | 53.6° |
| N40 | C43 | C44 | H442 | 166.9° | 179.6° |
| C39 | C38 | N37 | H381 | 120.6° | 117.6° |
| C39 | C38 | N37 | H382 | 120.6° | 115.4° |
| C39 | C38 | N37 | C44 | 54.8° | 59.7° |
| C39 | C38 | N37 | C36 | 178.0° | 173.6° |
| C39 | C38 | H381 | H382 | 118.2° | 111.4° |
| C38 | C39 | H392 | H391 | 118.8° | 117.9° |
| C27 | C28 | C29 | H281 | 121.0° | 122.7° |
| C27 | C28 | C29 | H282 | 121.0° | 123.8° |
| C28 | C27 | C02 | N03 | 57.6° | 152.8° |
| C28 | C27 | C02 | N48 | 120.0° | 120.0° |
| C28 | C27 | C02 | H271 | 119.4° | 127.8° |
| C28 | C27 | N48 | H271 | 120.7° | 123.1° |
| C27 | C28 | C29 | C30 | 97.1° | 83.0° |
| C27 | C28 | C29 | C47 | 82.6° | 103.1° |
| C28 | C27 | C02 | O01 | 123.3° | 20.4° |
| C28 | C27 | N48 | S49 | 110.4° | 140.8° |
| C27 | C28 | H281 | H282 | 116.7° | 114.6° |
| C28 | C27 | N48 | H481 | 10.1° | 39.1° |
| C29 | C28 | C27 | C02 | 64.4° | 74.3° |
| C29 | C28 | C27 | N48 | 54.6° | 46.1° |
| C28 | C29 | C30 | C47 | 179.7° | 173.9° |
| C28 | C29 | C30 | C31 | 179.0° | 177.9° |
| C28 | C29 | C47 | C46 | 180.0° | 178.5° |
| C29 | C28 | C27 | H271 | 176.4° | 162.8° |
| C29 | C28 | H281 | H282 | 116.8° | 119.3° |
| C28 | C29 | C30 | H301 | 0.9° | 2.8° |
| C28 | C29 | C47 | H471 | 0.0° | 1.5° |
| C04 | N03 | C02 | H031 | 180.0° | 179.4° |
| N03 | C04 | C15 | O26 | 29.2° | 30.3° |
| N03 | C04 | C15 | H041 | 118.2° | 109.7° |
| N03 | C04 | C15 | N16 | 149.2° | 149.7° |
| C04 | N03 | C02 | C27 | 176.6° | 170.4° |
| C04 | N03 | C02 | O01 | 2.5° | 2.7° |
| N03 | C04 | C05 | H051 | 162.5° | 136.0° |
| N03 | C04 | C05 | H052 | 42.6° | 15.6° |
| C02 | N03 | C04 | C15 | 70.9° | 66.6° |
| N03 | C02 | C27 | O01 | 179.1° | 173.2° |
| N03 | C02 | C27 | N48 | 177.6° | 32.8° |
| C02 | N03 | C04 | H041 | 46.6° | 43.1° |
| N03 | C02 | C27 | H271 | 61.8° | 79.4° |
| O26 | C15 | C04 | N16 | 178.5° | 179.9° |
| O26 | C15 | N16 | C17 | 1.2° | 0.0° |
| O26 | C15 | C04 | H041 | 147.5° | 140.0° |
| O26 | C15 | N16 | H161 | 178.7° | 180.0° |
| C04 | C15 | N16 | C17 | 177.3° | 180.0° |
| C15 | C04 | C05 | H051 | 44.1° | 104.0° |
| C15 | C04 | C05 | H052 | 75.8° | 135.6° |
| C15 | C04 | N03 | H031 | 109.1° | 112.9° |
| C04 | C15 | N16 | H161 | 2.7° | 0.1° |
| O57 | S49 | N48 | C27 | 47.5° | 178.5° |
| O57 | S49 | C50 | C55 | 35.0° | 156.1° |
| O57 | S49 | N48 | C50 | 125.8° | 113.6° |
| O57 | S49 | N48 | O56 | 121.0° | 132.9° |
| O57 | S49 | C50 | O56 | 121.0° | 132.9° |
| O57 | S49 | C50 | C51 | 148.8° | 23.6° |
| O57 | S49 | N48 | H481 | 72.9° | 1.4° |
| C43 | C44 | N37 | C38 | 53.1° | 57.5° |
| C43 | C44 | N37 | H441 | 120.5° | 115.0° |
| C43 | C44 | N37 | H442 | 120.5° | 122.5° |
| C43 | C44 | N37 | C36 | 176.4° | 169.7° |
| C44 | C43 | H431 | H432 | 118.4° | 118.5° |
| C43 | C44 | H441 | H442 | 118.3° | 126.4° |
| C15 | N16 | C17 | H161 | 180.0° | 180.0° |
| C15 | N16 | C17 | C18 | 105.3° | 180.0° |
| N16 | C15 | C04 | H041 | 31.0° | 39.9° |
| C15 | N16 | C17 | H172 | 135.5° | 60.0° |
| C15 | N16 | C17 | H171 | 13.8° | 60.0° |
| C02 | C27 | N48 | H271 | 119.3° | 112.7° |
| C02 | C27 | N48 | S49 | 129.6° | 95.0° |
| C02 | C27 | C28 | H281 | 174.6° | 159.7° |
| C02 | C27 | C28 | H282 | 56.6° | 50.5° |
| C27 | C02 | N03 | H031 | 3.5° | 8.9° |
| C02 | C27 | N48 | H481 | 110.0° | 85.1° |
| N48 | C27 | C02 | O01 | 3.3° | 140.3° |
| C27 | N48 | S49 | H481 | 120.4° | 179.9° |
| C27 | N48 | S49 | C50 | 78.4° | 64.9° |
| C27 | N48 | S49 | O56 | 168.4° | 48.6° |
| N48 | C27 | C28 | H281 | 66.4° | 79.9° |
| N48 | C27 | C28 | H282 | 175.7° | 170.9° |
| C29 | C30 | C31 | H301 | 180.0° | 175.4° |
| C29 | C30 | C31 | C32 | 1.0° | 1.6° |
| C30 | C29 | C47 | C46 | 0.3° | 7.7° |
| C30 | C29 | C28 | H281 | 141.9° | 39.7° |
| C30 | C29 | C28 | H282 | 23.9° | 153.2° |
| C29 | C30 | C31 | H311 | 179.0° | 173.7° |
| C30 | C29 | C47 | H471 | 179.7° | 175.4° |
| C31 | C30 | C29 | C47 | 1.2° | 8.2° |
| C30 | C31 | C32 | H311 | 180.0° | 175.5° |
| C30 | C31 | C32 | C46 | 0.3° | 5.6° |
| C30 | C31 | C32 | N33 | 179.4° | 177.4° |
| C29 | C47 | C46 | H471 | 180.0° | 176.8° |
| C29 | C47 | C46 | C32 | 1.0° | 0.9° |
| C47 | C29 | C28 | H281 | 38.4° | 134.2° |
| C47 | C29 | C28 | H282 | 156.3° | 20.7° |
| C47 | C29 | C30 | H301 | 178.8° | 176.8° |
| C29 | C47 | C46 | H461 | 178.9° | 179.2° |
| C38 | N37 | C44 | C36 | 123.3° | 112.2° |
| C38 | N37 | C36 | C35 | 90.2° | 113.9° |
| C38 | N37 | C36 | H362 | 30.8° | 8.2° |
| C38 | N37 | C36 | H361 | 148.7° | 125.5° |
| N37 | C38 | H381 | H382 | 118.2° | 126.6° |
| N37 | C38 | C39 | H392 | 71.4° | 177.9° |
| N37 | C38 | C39 | H391 | 169.4° | 56.8° |
| C38 | N37 | C44 | H441 | 67.5° | 57.6° |
| C38 | N37 | C44 | H442 | 173.6° | 179.9° |
| O01 | C02 | C27 | H271 | 117.3° | 107.4° |
| O01 | C02 | N03 | H031 | 177.4° | 177.9° |
| C54 | C55 | C50 | H551 | 180.0° | 180.0° |
| C54 | C55 | C50 | S49 | 179.3° | 179.8° |
| C55 | C54 | C53 | H541 | 180.0° | 180.0° |
| C54 | C55 | C50 | C51 | 3.3° | 0.0° |
| C55 | C54 | C53 | C52 | 1.2° | 0.1° |
| C55 | C54 | C53 | H531 | 178.8° | 180.0° |
| C55 | C50 | S49 | N48 | 160.2° | 90.2° |
| C55 | C50 | S49 | C51 | 176.2° | 179.7° |
| C55 | C50 | S49 | O56 | 86.0° | 23.3° |
| C50 | C55 | C54 | C53 | 2.3° | 0.1° |
| C55 | C50 | C51 | C52 | 3.2° | 0.0° |
| C55 | C50 | C51 | H511 | 176.8° | 180.0° |
| C50 | C55 | C54 | H541 | 177.7° | 180.0° |
| C31 | C32 | C46 | C47 | 1.3° | 5.8° |
| C31 | C32 | C46 | N33 | 179.7° | 177.1° |
| C31 | C32 | N33 | C34 | 141.9° | 20.7° |
| C32 | C31 | C30 | H301 | 179.0° | 177.0° |
| C31 | C32 | C46 | H461 | 178.7° | 174.1° |
| C31 | C32 | N33 | H331 | 38.1° | 152.1° |
| N16 | C17 | C18 | H172 | 119.2° | 120.1° |
| N16 | C17 | C18 | H171 | 119.2° | 120.0° |
| N16 | C17 | C18 | C19 | 56.4° | 90.0° |
| N16 | C17 | C18 | C25 | 125.0° | 90.3° |
| N16 | C17 | H172 | H171 | 122.4° | 120.1° |
| N48 | S49 | C50 | O56 | 113.8° | 113.5° |
| N48 | S49 | C50 | C51 | 23.6° | 90.0° |
| S49 | N48 | C27 | H271 | 10.3° | 17.7° |
| S49 | C50 | C51 | C52 | 179.3° | 179.8° |
| S49 | C50 | C51 | H511 | 0.6° | 0.3° |
| S49 | C50 | C55 | H551 | 0.7° | 0.3° |
| C50 | S49 | N48 | H481 | 161.2° | 115.0° |
| O56 | S49 | C50 | C51 | 90.2° | 156.4° |
| O56 | S49 | N48 | H481 | 48.0° | 131.5° |
| C47 | C46 | C32 | H461 | 180.0° | 179.9° |
| C47 | C46 | C32 | N33 | 178.4° | 177.1° |
| C44 | N37 | C36 | C35 | 146.7° | 0.6° |
| C44 | N37 | C36 | H362 | 92.3° | 122.7° |
| C44 | N37 | C36 | H361 | 25.6° | 120.0° |
| C44 | N37 | C38 | H381 | 175.5° | 177.4° |
| C44 | N37 | C38 | H382 | 65.7° | 55.7° |
| N37 | C44 | C43 | H431 | 166.9° | 61.9° |
| N37 | C44 | C43 | H432 | 74.2° | 178.2° |
| N37 | C44 | H441 | H442 | 118.4° | 119.6° |
| C54 | C53 | C52 | H531 | 180.0° | 179.9° |
| C54 | C53 | C52 | C51 | 0.9° | 0.1° |
| C54 | C53 | C52 | H521 | 179.1° | 179.9° |
| C53 | C54 | C55 | H551 | 177.7° | 179.9° |
| C50 | C51 | C52 | C53 | 1.9° | 0.0° |
| C50 | C51 | C52 | H511 | 180.0° | 180.0° |
| C50 | C51 | C52 | H521 | 178.1° | 180.0° |
| C51 | C50 | C55 | H551 | 176.7° | 180.0° |
| N37 | C36 | C35 | H362 | 121.0° | 120.6° |
| N37 | C36 | C35 | H361 | 121.0° | 117.4° |
| N37 | C36 | C35 | C34 | 62.4° | 89.1° |
| N37 | C36 | C35 | H352 | 177.2° | 151.9° |
| N37 | C36 | C35 | H351 | 58.1° | 32.6° |
| N37 | C36 | H362 | H361 | 116.7° | 113.6° |
| C36 | N37 | C38 | H381 | 61.4° | 68.7° |
| C36 | N37 | C38 | H382 | 57.4° | 58.2° |
| C36 | N37 | C44 | H441 | 55.9° | 54.6° |
| C36 | N37 | C44 | H442 | 63.1° | 67.9° |
| C17 | C18 | C19 | C25 | 178.6° | 179.8° |
| C17 | C18 | C19 | C20 | 179.9° | 180.0° |
| C17 | C18 | C25 | C24 | 179.8° | 179.8° |
| C18 | C17 | H172 | H171 | 122.3° | 119.9° |
| C17 | C18 | C19 | H191 | 0.1° | 0.1° |
| C17 | C18 | C25 | H251 | 0.2° | 0.0° |
| C18 | C17 | N16 | H161 | 74.7° | 0.0° |
| C46 | C32 | N33 | C34 | 37.8° | 162.1° |
| C46 | C32 | C31 | H311 | 179.7° | 178.9° |
| C32 | C46 | C47 | H471 | 179.0° | 177.7° |
| C46 | C32 | N33 | H331 | 142.2° | 25.1° |
| C32 | N33 | C34 | O45 | 0.5° | 7.4° |
| C32 | N33 | C34 | H331 | 180.0° | 172.9° |
| C32 | N33 | C34 | C35 | 175.5° | 173.1° |
| N33 | C32 | C31 | H311 | 0.6° | 1.9° |
| N33 | C32 | C46 | H461 | 1.6° | 3.1° |
| C53 | C52 | C51 | H521 | 180.0° | 180.0° |
| C53 | C52 | C51 | H511 | 178.1° | 180.0° |
| C52 | C53 | C54 | H541 | 178.8° | 179.9° |
| C51 | C52 | C53 | H531 | 179.1° | 180.0° |
| O45 | C34 | C35 | C36 | 79.0° | 11.7° |
| O45 | C34 | N33 | C35 | 175.9° | 179.5° |
| O45 | C34 | C35 | H352 | 41.5° | 106.5° |
| O45 | C34 | C35 | H351 | 160.5° | 134.7° |
| O45 | C34 | N33 | H331 | 179.5° | 179.6° |
| C36 | C35 | C34 | N33 | 96.7° | 167.7° |
| C36 | C35 | C34 | H352 | 120.5° | 118.2° |
| C36 | C35 | C34 | H351 | 120.5° | 123.0° |
| C36 | C35 | H352 | H351 | 118.6° | 121.6° |
| C35 | C36 | H362 | H361 | 116.7° | 122.1° |
| N33 | C34 | C35 | H352 | 142.8° | 74.1° |
| N33 | C34 | C35 | H351 | 23.7° | 44.8° |
| C34 | C35 | H352 | H351 | 118.6° | 119.8° |
| C34 | C35 | C36 | H362 | 58.7° | 31.5° |
| C34 | C35 | C36 | H361 | 176.6° | 153.5° |
| C35 | C34 | N33 | H331 | 4.6° | 0.1° |
| C18 | C19 | C20 | H191 | 180.0° | 180.0° |
| C19 | C18 | C25 | C24 | 1.4° | 0.4° |
| C18 | C19 | C20 | C21 | 0.1° | 0.0° |
| C19 | C18 | C17 | H172 | 175.7° | 150.0° |
| C19 | C18 | C17 | H171 | 62.7° | 30.1° |
| C18 | C19 | C20 | H201 | 179.8° | 180.0° |
| C19 | C18 | C25 | H251 | 178.7° | 179.7° |
| C25 | C18 | C19 | C20 | 1.3° | 0.3° |
| C18 | C25 | C24 | H251 | 180.0° | 179.8° |
| C18 | C25 | C24 | C21 | 0.1° | 0.4° |
| C25 | C18 | C17 | H172 | 5.8° | 29.8° |
| C25 | C18 | C17 | H171 | 115.8° | 149.7° |
| C25 | C18 | C19 | H191 | 178.7° | 179.7° |
| C18 | C25 | C24 | H241 | 179.9° | 179.8° |
| C19 | C20 | C21 | H201 | 180.0° | 180.0° |
| C19 | C20 | C21 | C24 | 1.1° | 0.1° |
| C19 | C20 | C21 | C22 | 179.3° | 180.0° |
| C25 | C24 | C21 | C20 | 1.1° | 0.1° |
| C25 | C24 | C21 | H241 | 180.0° | 179.9° |
| C25 | C24 | C21 | C22 | 179.3° | 179.8° |
| C20 | C21 | C24 | C22 | 178.2° | 179.9° |
| C20 | C21 | C22 | N23 | 164.5° | 90.0° |
| C21 | C20 | C19 | H191 | 179.9° | 180.0° |
| C20 | C21 | C22 | H221 | 75.3° | 150.0° |
| C20 | C21 | C22 | H222 | 44.3° | 30.0° |
| C20 | C21 | C24 | H241 | 178.9° | 180.0° |
| C24 | C21 | C22 | N23 | 17.3° | 90.0° |
| C24 | C21 | C20 | H201 | 178.9° | 180.0° |
| C24 | C21 | C22 | H221 | 102.9° | 30.1° |
| C24 | C21 | C22 | H222 | 137.5° | 150.0° |
| C21 | C24 | C25 | H251 | 179.9° | 179.8° |
| C21 | C22 | N23 | H221 | 120.2° | 120.0° |
| C21 | C22 | N23 | H222 | 120.2° | 120.0° |
| C22 | C21 | C20 | H201 | 0.7° | 0.0° |
| C21 | C22 | H221 | H222 | 119.3° | 120.0° |
| C22 | C21 | C24 | H241 | 0.8° | 0.1° |
| C21 | C22 | N23 | H1 | 180.0° | 180.0° |
| C21 | C22 | N23 | H232 | 60.0° | 56.1° |
| N23 | C22 | H221 | H222 | 119.3° | 120.0° |
| C22 | N23 | H1 | H232 | 120.0° | 123.9° |
| H041 | C04 | C05 | H051 | 77.4° | 15.1° |
| H041 | C04 | C05 | H052 | 162.7° | 105.3° |
| H041 | C04 | N03 | H031 | 133.4° | 137.4° |
| H071 | C07 | C08 | H081 | 1.6° | 3.2° |
| H131 | C13 | C14 | H141 | 0.1° | 0.1° |
| H172 | C17 | N16 | H161 | 44.5° | 120.0° |
| H171 | C17 | N16 | H161 | 166.1° | 120.0° |
| H191 | C19 | C20 | H201 | 0.2° | 0.1° |
| H221 | C22 | N23 | H1 | 59.8° | 60.0° |
| H221 | C22 | N23 | H232 | 179.7° | 176.1° |
| H222 | C22 | N23 | H1 | 59.8° | 60.0° |
| H222 | C22 | N23 | H232 | 60.2° | 63.9° |
| H241 | C24 | C25 | H251 | 0.1° | 0.1° |
| H271 | C27 | C28 | H281 | 55.3° | 36.9° |
| H271 | C27 | C28 | H282 | 62.6° | 72.4° |
| H271 | C27 | N48 | H481 | 130.7° | 162.2° |
| H301 | C30 | C31 | H311 | 1.0° | 1.7° |
| H352 | C35 | C36 | H362 | 61.8° | 87.5° |
| H352 | C35 | C36 | H361 | 56.1° | 34.6° |
| H351 | C35 | C36 | H362 | 179.1° | 153.2° |
| H351 | C35 | C36 | H361 | 62.9° | 84.8° |
| H381 | C38 | C39 | H392 | 49.2° | 58.5° |
| H381 | C38 | C39 | H391 | 70.0° | 62.6° |
| H382 | C38 | C39 | H392 | 168.1° | 60.6° |
| H382 | C38 | C39 | H391 | 48.8° | 178.3° |
| H411 | C41 | C42 | H421 | 85.5° | 171.8° |
| H411 | C41 | C42 | H422 | 156.1° | 51.5° |
| H412 | C41 | C42 | H421 | 31.9° | 66.1° |
| H412 | C41 | C42 | H422 | 86.5° | 173.5° |
| H431 | C43 | C44 | H441 | 46.3° | 174.9° |
| H431 | C43 | C44 | H442 | 72.6° | 58.2° |
| H432 | C43 | C44 | H441 | 165.3° | 65.2° |
| H432 | C43 | C44 | H442 | 46.4° | 61.6° |
| H461 | C46 | C47 | H471 | 1.0° | 2.4° |
| H511 | C51 | C52 | H521 | 1.9° | 0.0° |
| H521 | C52 | C53 | H531 | 0.9° | 0.1° |
| H531 | C53 | C54 | H541 | 1.2° | 0.1° |
| H541 | C54 | C55 | H551 | 2.3° | 0.0° |
