M63
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C11 | doub | 1.22Å | 1.17Å | |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C06 | sing | 1.37Å | 1.40Å | Aromatic |
| C13 | C09 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C42 | sing | 1.50Å | 1.59Å | |
| C11 | N10 | sing | 1.31Å | 1.47Å | |
| C41 | C42 | sing | 1.53Å | 1.56Å | |
| C41 | N40 | sing | 1.46Å | 1.27Å | |
| C05 | C06 | sing | 1.50Å | 1.55Å | |
| C05 | C04 | sing | 1.52Å | 1.52Å | |
| C06 | C07 | doub | 1.39Å | 1.38Å | Aromatic |
| C09 | N10 | sing | 1.39Å | 1.50Å | |
| C09 | C08 | doub | 1.40Å | 1.39Å | Aromatic |
| N40 | C39 | sing | 1.47Å | 1.35Å | |
| N40 | C43 | sing | 1.47Å | 1.38Å | |
| C39 | C38 | sing | 1.54Å | 1.54Å | |
| C28 | C27 | sing | 1.52Å | 1.54Å | |
| C28 | C29 | sing | 1.51Å | 1.58Å | |
| N03 | C04 | sing | 1.47Å | 1.46Å | |
| N03 | C02 | sing | 1.37Å | 1.46Å | |
| O26 | C15 | doub | 1.21Å | 1.19Å | |
| C07 | C08 | sing | 1.37Å | 1.38Å | Aromatic |
| C04 | C15 | sing | 1.50Å | 1.52Å | |
| CL55 | C54 | sing | 1.74Å | 1.79Å | |
| O58 | S49 | doub | 1.42Å | 1.46Å | |
| C27 | C02 | sing | 1.51Å | 1.50Å | |
| C27 | N48 | sing | 1.46Å | 1.43Å | |
| C15 | N16 | sing | 1.35Å | 1.48Å | |
| C47 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C47 | C46 | sing | 1.38Å | 1.39Å | Aromatic |
| C43 | C44 | sing | 1.53Å | 1.54Å | |
| C29 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C38 | N37 | sing | 1.51Å | 1.39Å | |
| C02 | O01 | doub | 1.21Å | 1.18Å | |
| C56 | C54 | doub | 1.38Å | 1.39Å | Aromatic |
| C56 | C50 | sing | 1.38Å | 1.37Å | Aromatic |
| C54 | C53 | sing | 1.38Å | 1.39Å | Aromatic |
| C46 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| N16 | C17 | sing | 1.47Å | 1.46Å | |
| S49 | C50 | sing | 1.76Å | 1.81Å | |
| S49 | N48 | sing | 1.66Å | 1.73Å | |
| S49 | O57 | doub | 1.42Å | 1.44Å | |
| C44 | N37 | sing | 1.51Å | 1.37Å | |
| C50 | C51 | doub | 1.38Å | 1.39Å | Aromatic |
| N37 | C36 | sing | 1.51Å | 1.31Å | |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| C53 | C52 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.39Å | 1.40Å | Aromatic |
| C32 | N33 | sing | 1.38Å | 1.47Å | |
| C51 | C52 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C35 | sing | 1.53Å | 1.58Å | |
| O45 | C34 | doub | 1.22Å | 1.18Å | |
| N33 | C34 | sing | 1.31Å | 1.47Å | |
| C34 | C35 | sing | 1.49Å | 1.52Å | |
| C18 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.37Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C22 | N23 | sing | 1.47Å | 1.44Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C28 | H281 | sing | 1.10Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.10Å | 1.10Å | |
| C05 | H051 | sing | 1.10Å | 1.10Å | |
| C05 | H052 | sing | 1.10Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.10Å | 1.10Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.08Å | 1.10Å | |
| C39 | H391 | sing | 1.08Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.08Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.08Å | 1.10Å | |
| C44 | H441 | sing | 1.08Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.08Å | 1.08Å | |
| C47 | H471 | sing | 1.08Å | 1.08Å | |
| C51 | H511 | sing | 1.08Å | 1.08Å | |
| C52 | H521 | sing | 1.08Å | 1.08Å | |
| C53 | H531 | sing | 1.08Å | 1.08Å | |
| C56 | H561 | sing | 1.08Å | 1.08Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N10 | H101 | sing | 0.98Å | 1.00Å | |
| N16 | H161 | sing | 0.97Å | 1.00Å | |
| N23 | H231 | sing | 1.01Å | 1.00Å | |
| N23 | H232 | sing | 1.01Å | 1.00Å | |
| N33 | H331 | sing | 0.98Å | 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 | 121.1° | 116.1° |
| O12 | C11 | N10 | 121.7° | 116.0° |
| C13 | C14 | C06 | 120.0° | 120.8° |
| C14 | C13 | C09 | 119.7° | 120.6° |
| C14 | C13 | H131 | 120.1° | 118.8° |
| C13 | C14 | H141 | 120.0° | 117.5° |
| C14 | C06 | C05 | 121.1° | 124.7° |
| C14 | C06 | C07 | 120.3° | 118.6° |
| C06 | C14 | H141 | 120.0° | 121.6° |
| C13 | C09 | N10 | 124.0° | 123.7° |
| C13 | C09 | C08 | 119.8° | 118.6° |
| C09 | C13 | H131 | 120.1° | 120.6° |
| C42 | C11 | N10 | 117.3° | 127.9° |
| C11 | C42 | C41 | 114.7° | 107.6° |
| C11 | C42 | H421 | 108.1° | 110.0° |
| C11 | C42 | H422 | 108.1° | 109.9° |
| C11 | N10 | C09 | 125.2° | 130.4° |
| C11 | N10 | H101 | 117.4° | 114.4° |
| C42 | C41 | N40 | 115.5° | 109.1° |
| C42 | C41 | H412 | 107.9° | 110.1° |
| C42 | C41 | H411 | 107.9° | 109.9° |
| C41 | C42 | H421 | 108.1° | 109.1° |
| C41 | C42 | H422 | 108.2° | 110.2° |
| C41 | N40 | C39 | 115.9° | 112.3° |
| C41 | N40 | C43 | 115.5° | 112.5° |
| N40 | C41 | H412 | 107.9° | 108.9° |
| N40 | C41 | H411 | 107.9° | 108.2° |
| C06 | C05 | C04 | 108.1° | 115.1° |
| C05 | C06 | C07 | 118.6° | 116.7° |
| C06 | C05 | H051 | 109.8° | 108.9° |
| C06 | C05 | H052 | 109.8° | 108.7° |
| C05 | C04 | N03 | 108.7° | 110.4° |
| C05 | C04 | C15 | 113.6° | 111.1° |
| C05 | C04 | H041 | 109.4° | 107.9° |
| C04 | C05 | H051 | 109.8° | 108.4° |
| C04 | C05 | H052 | 109.8° | 108.7° |
| C06 | C07 | C08 | 119.8° | 121.1° |
| C06 | C07 | H071 | 120.1° | 118.6° |
| N10 | C09 | C08 | 116.1° | 117.7° |
| C09 | N10 | H101 | 117.4° | 115.2° |
| C09 | C08 | C07 | 120.4° | 120.3° |
| C09 | C08 | H081 | 119.8° | 119.1° |
| C39 | N40 | C43 | 114.6° | 109.1° |
| N40 | C39 | C38 | 110.2° | 107.2° |
| N40 | C39 | H391 | 109.3° | 109.5° |
| N40 | C39 | H392 | 109.3° | 108.9° |
| N40 | C43 | C44 | 112.6° | 107.4° |
| N40 | C43 | H432 | 108.7° | 109.2° |
| N40 | C43 | H431 | 108.6° | 109.4° |
| C39 | C38 | N37 | 112.8° | 107.1° |
| C39 | C38 | H382 | 108.6° | 109.7° |
| C39 | C38 | H381 | 108.6° | 109.3° |
| C38 | C39 | H391 | 109.3° | 110.5° |
| C38 | C39 | H392 | 109.3° | 109.6° |
| C27 | C28 | C29 | 115.3° | 111.7° |
| C28 | C27 | C02 | 110.9° | 110.5° |
| C28 | C27 | N48 | 109.4° | 110.7° |
| C27 | C28 | H281 | 108.0° | 108.7° |
| C27 | C28 | H282 | 108.0° | 109.5° |
| C28 | C27 | H271 | 108.8° | 108.7° |
| C28 | C29 | C47 | 118.3° | 120.9° |
| C28 | C29 | C30 | 120.9° | 119.4° |
| C29 | C28 | H281 | 108.0° | 109.1° |
| C29 | C28 | H282 | 108.0° | 109.6° |
| C04 | N03 | C02 | 119.0° | 116.6° |
| N03 | C04 | C15 | 105.3° | 111.4° |
| N03 | C04 | H041 | 110.3° | 108.5° |
| C04 | N03 | H031 | 120.5° | 121.4° |
| N03 | C02 | C27 | 116.8° | 119.4° |
| N03 | C02 | O01 | 122.5° | 121.4° |
| C02 | N03 | H031 | 120.5° | 121.9° |
| O26 | C15 | C04 | 121.3° | 120.0° |
| O26 | C15 | N16 | 121.2° | 120.0° |
| C08 | C07 | H071 | 120.1° | 120.3° |
| C07 | C08 | H081 | 119.8° | 120.5° |
| C04 | C15 | N16 | 117.5° | 120.0° |
| C15 | C04 | H041 | 109.4° | 107.4° |
| CL55 | C54 | C56 | 118.4° | 120.0° |
| CL55 | C54 | C53 | 121.1° | 120.0° |
| O58 | S49 | C50 | 112.7° | 106.4° |
| O58 | S49 | N48 | 110.1° | 106.4° |
| O58 | S49 | O57 | 105.2° | 123.2° |
| C02 | C27 | N48 | 108.1° | 110.3° |
| C27 | C02 | O01 | 120.6° | 119.2° |
| C02 | C27 | H271 | 109.3° | 107.6° |
| C27 | N48 | S49 | 112.1° | 120.0° |
| N48 | C27 | H271 | 110.3° | 109.0° |
| C27 | N48 | H481 | 108.8° | 119.9° |
| C15 | N16 | C17 | 121.3° | 120.0° |
| C15 | N16 | H161 | 119.3° | 120.0° |
| C29 | C47 | C46 | 119.1° | 120.9° |
| C47 | C29 | C30 | 120.8° | 119.7° |
| C29 | C47 | H471 | 120.4° | 119.2° |
| C47 | C46 | C32 | 120.4° | 119.6° |
| C47 | C46 | H461 | 119.8° | 120.2° |
| C46 | C47 | H471 | 120.4° | 119.9° |
| C43 | C44 | N37 | 114.3° | 107.5° |
| C44 | C43 | H432 | 108.7° | 109.6° |
| C44 | C43 | H431 | 108.7° | 110.3° |
| C43 | C44 | H441 | 108.3° | 109.5° |
| C43 | C44 | H442 | 108.3° | 109.8° |
| C29 | C30 | C31 | 120.1° | 119.8° |
| C29 | C30 | H301 | 119.9° | 119.7° |
| C38 | N37 | C44 | 112.0° | 105.4° |
| C38 | N37 | C36 | 111.7° | 104.3° |
| N37 | C38 | H382 | 108.6° | 108.8° |
| N37 | C38 | H381 | 108.6° | 110.9° |
| C54 | C56 | C50 | 119.4° | 120.0° |
| C56 | C54 | C53 | 120.5° | 120.0° |
| C54 | C56 | H561 | 120.3° | 120.1° |
| C56 | C50 | S49 | 119.1° | 120.0° |
| C56 | C50 | C51 | 120.7° | 120.0° |
| C50 | C56 | H561 | 120.3° | 120.0° |
| C54 | C53 | C52 | 119.9° | 120.0° |
| C54 | C53 | H531 | 120.1° | 120.0° |
| C46 | C32 | C31 | 120.7° | 119.2° |
| C46 | C32 | N33 | 115.3° | 121.1° |
| C32 | C46 | H461 | 119.8° | 120.2° |
| C30 | C31 | C32 | 118.8° | 120.7° |
| C31 | C30 | H301 | 119.9° | 120.4° |
| C30 | C31 | H311 | 120.6° | 119.6° |
| N16 | C17 | C18 | 103.2° | 109.5° |
| N16 | C17 | H172 | 111.0° | 109.4° |
| N16 | C17 | H171 | 111.0° | 109.5° |
| C17 | N16 | H161 | 119.4° | 120.0° |
| C50 | S49 | N48 | 110.1° | 107.2° |
| C50 | S49 | O57 | 108.4° | 106.4° |
| S49 | C50 | C51 | 120.3° | 120.0° |
| N48 | S49 | O57 | 110.2° | 106.4° |
| S49 | N48 | H481 | 108.8° | 120.0° |
| C44 | N37 | C36 | 110.4° | 104.1° |
| N37 | C44 | H441 | 108.2° | 110.9° |
| N37 | C44 | H442 | 108.2° | 108.4° |
| C50 | C51 | C52 | 120.0° | 120.0° |
| C50 | C51 | H511 | 120.0° | 120.0° |
| N37 | C36 | C35 | 113.2° | 109.8° |
| N37 | C36 | H362 | 108.5° | 109.3° |
| N37 | C36 | H361 | 108.5° | 108.8° |
| C17 | C18 | C19 | 118.6° | 120.0° |
| C17 | C18 | C25 | 121.3° | 120.0° |
| C18 | C17 | H172 | 111.0° | 109.5° |
| C18 | C17 | H171 | 111.0° | 109.5° |
| C53 | C52 | C51 | 119.6° | 120.0° |
| C53 | C52 | H521 | 120.2° | 120.0° |
| C52 | C53 | H531 | 120.0° | 120.0° |
| C31 | C32 | N33 | 124.0° | 119.6° |
| C32 | C31 | H311 | 120.6° | 119.7° |
| C32 | N33 | C34 | 121.6° | 130.5° |
| C32 | N33 | H331 | 119.1° | 114.9° |
| C52 | C51 | H511 | 120.0° | 120.0° |
| C51 | C52 | H521 | 120.2° | 120.0° |
| C36 | C35 | C34 | 109.2° | 110.4° |
| C36 | C35 | H352 | 109.6° | 111.1° |
| C36 | C35 | H351 | 109.5° | 109.5° |
| C35 | C36 | H362 | 108.6° | 110.4° |
| C35 | C36 | H361 | 108.5° | 109.6° |
| O45 | C34 | N33 | 121.7° | 115.7° |
| O45 | C34 | C35 | 121.0° | 115.2° |
| N33 | C34 | C35 | 117.3° | 129.2° |
| C34 | N33 | H331 | 119.2° | 114.7° |
| C34 | C35 | H352 | 109.5° | 108.1° |
| C34 | C35 | H351 | 109.5° | 108.8° |
| C19 | C18 | C25 | 120.1° | 120.0° |
| C18 | C19 | C20 | 120.1° | 120.0° |
| C18 | C19 | H191 | 120.0° | 120.0° |
| C18 | C25 | C24 | 119.7° | 120.0° |
| C18 | C25 | H251 | 120.1° | 120.0° |
| C19 | C20 | C21 | 120.0° | 120.0° |
| C19 | C20 | H201 | 120.0° | 120.0° |
| C20 | C19 | H191 | 120.0° | 120.0° |
| C25 | C24 | C21 | 119.8° | 120.0° |
| C25 | C24 | H241 | 120.1° | 120.0° |
| C24 | C25 | H251 | 120.1° | 120.0° |
| C20 | C21 | C24 | 120.3° | 120.0° |
| C20 | C21 | C22 | 118.1° | 120.0° |
| C21 | C20 | H201 | 120.0° | 120.0° |
| C24 | C21 | C22 | 121.6° | 120.0° |
| C21 | C24 | H241 | 120.1° | 120.0° |
| C21 | C22 | N23 | 111.6° | 109.5° |
| C21 | C22 | H221 | 108.9° | 109.5° |
| C21 | C22 | H222 | 108.9° | 109.5° |
| N23 | C22 | H221 | 108.9° | 109.4° |
| N23 | C22 | H222 | 108.9° | 109.4° |
| C22 | N23 | H231 | 109.5° | 111.0° |
| C22 | N23 | H232 | 109.4° | 111.0° |
| H172 | C17 | H171 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 108.0° |
| H051 | C05 | H052 | 109.5° | 106.7° |
| H352 | C35 | H351 | 109.5° | 108.9° |
| H362 | C36 | H361 | 109.5° | 109.0° |
| H382 | C38 | H381 | 109.5° | 111.0° |
| H391 | C39 | H392 | 109.5° | 111.0° |
| H412 | C41 | H411 | 109.5° | 110.6° |
| H421 | C42 | H422 | 109.5° | 110.1° |
| H432 | C43 | H431 | 109.5° | 110.8° |
| H441 | C44 | H442 | 109.5° | 110.6° |
| H231 | N23 | H232 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C11 | C42 | N10 | 179.8° | 179.9° |
| O12 | C11 | C42 | C41 | 52.3° | 29.2° |
| O12 | C11 | N10 | C09 | 0.7° | 172.0° |
| O12 | C11 | C42 | H421 | 68.5° | 147.9° |
| O12 | C11 | C42 | H422 | 173.1° | 90.8° |
| O12 | C11 | N10 | H101 | 179.3° | 8.1° |
| C13 | C14 | C06 | H141 | 180.0° | 178.2° |
| C14 | C13 | C09 | H131 | 180.0° | 179.7° |
| C13 | C14 | C06 | C05 | 179.8° | 178.3° |
| C13 | C14 | C06 | C07 | 0.5° | 1.5° |
| C14 | C13 | C09 | N10 | 180.0° | 180.0° |
| C14 | C13 | C09 | C08 | 0.1° | 0.2° |
| C06 | C14 | C13 | C09 | 0.1° | 0.9° |
| C14 | C06 | C05 | C07 | 179.2° | 179.7° |
| C14 | C06 | C05 | C04 | 108.5° | 13.2° |
| C14 | C06 | C07 | C08 | 0.7° | 0.9° |
| C06 | C14 | C13 | H131 | 179.9° | 178.8° |
| C14 | C06 | C05 | H051 | 131.7° | 108.8° |
| C14 | C06 | C05 | H052 | 11.3° | 135.3° |
| C14 | C06 | C07 | H071 | 179.3° | 178.9° |
| C13 | C09 | N10 | C11 | 15.8° | 7.6° |
| C13 | C09 | N10 | C08 | 179.9° | 179.8° |
| C13 | C09 | C08 | C07 | 0.1° | 0.8° |
| C13 | C09 | C08 | H081 | 179.9° | 179.2° |
| C09 | C13 | C14 | H141 | 179.9° | 177.4° |
| C13 | C09 | N10 | H101 | 164.2° | 172.5° |
| C11 | C42 | C41 | H421 | 120.8° | 119.3° |
| C11 | C42 | C41 | H422 | 120.8° | 119.8° |
| C11 | C42 | C41 | N40 | 86.1° | 145.8° |
| C42 | C11 | N10 | C09 | 179.5° | 8.1° |
| C11 | C42 | C41 | H412 | 34.8° | 94.9° |
| C11 | C42 | C41 | H411 | 153.0° | 27.3° |
| C11 | C42 | H421 | H422 | 117.6° | 121.2° |
| C42 | C11 | N10 | H101 | 0.5° | 171.8° |
| N10 | C11 | C42 | C41 | 127.5° | 150.8° |
| C11 | N10 | C09 | H101 | 180.0° | 179.9° |
| C11 | N10 | C09 | C08 | 164.3° | 172.2° |
| N10 | C11 | C42 | H421 | 111.7° | 32.1° |
| N10 | C11 | C42 | H422 | 6.7° | 89.3° |
| C42 | C41 | N40 | H412 | 120.9° | 120.2° |
| C42 | C41 | N40 | H411 | 120.9° | 119.5° |
| C42 | C41 | N40 | C39 | 68.9° | 129.7° |
| C42 | C41 | N40 | C43 | 69.2° | 106.8° |
| C42 | C41 | H412 | H411 | 117.3° | 121.7° |
| C41 | C42 | H421 | H422 | 117.6° | 121.0° |
| C41 | N40 | C39 | C43 | 138.5° | 125.4° |
| C41 | N40 | C39 | C38 | 168.0° | 170.2° |
| C41 | N40 | C43 | C44 | 172.4° | 170.8° |
| C41 | N40 | C39 | H391 | 71.9° | 50.3° |
| C41 | N40 | C39 | H392 | 47.9° | 71.3° |
| N40 | C41 | H412 | H411 | 117.2° | 118.8° |
| N40 | C41 | C42 | H421 | 153.1° | 26.4° |
| N40 | C41 | C42 | H422 | 34.7° | 94.5° |
| C41 | N40 | C43 | H432 | 51.9° | 70.5° |
| C41 | N40 | C43 | H431 | 67.1° | 51.0° |
| C06 | C05 | C04 | H051 | 119.8° | 122.3° |
| C06 | C05 | C04 | H052 | 119.8° | 122.1° |
| C06 | C05 | C04 | N03 | 79.7° | 48.6° |
| C05 | C06 | C07 | C08 | 180.0° | 178.8° |
| C06 | C05 | C04 | C15 | 163.4° | 75.6° |
| C06 | C05 | C04 | H041 | 40.8° | 166.9° |
| C06 | C05 | H051 | H052 | 120.7° | 117.2° |
| C05 | C06 | C07 | H071 | 0.0° | 1.3° |
| C05 | C06 | C14 | H141 | 0.2° | 3.5° |
| C04 | C05 | C06 | C07 | 70.7° | 167.1° |
| C05 | C04 | N03 | C15 | 122.0° | 124.0° |
| C05 | C04 | N03 | H041 | 120.0° | 118.0° |
| C05 | C04 | N03 | C02 | 165.7° | 136.7° |
| C05 | C04 | C15 | O26 | 91.6° | 102.2° |
| C05 | C04 | C15 | H041 | 122.6° | 117.8° |
| C05 | C04 | C15 | N16 | 90.3° | 77.8° |
| C04 | C05 | H051 | H052 | 120.6° | 116.9° |
| C05 | C04 | N03 | H031 | 14.3° | 43.9° |
| C06 | C07 | C08 | C09 | 0.5° | 0.2° |
| C06 | C07 | C08 | H071 | 180.0° | 179.8° |
| C07 | C06 | C05 | H051 | 49.0° | 70.9° |
| C07 | C06 | C05 | H052 | 169.5° | 44.9° |
| C06 | C07 | C08 | H081 | 179.5° | 179.8° |
| C07 | C06 | C14 | H141 | 179.5° | 176.7° |
| N10 | C09 | C08 | C07 | 179.8° | 179.4° |
| N10 | C09 | C13 | H131 | 0.0° | 0.3° |
| N10 | C09 | C08 | H081 | 0.2° | 0.6° |
| C09 | C08 | C07 | H081 | 180.0° | 180.0° |
| C08 | C09 | C13 | H131 | 179.9° | 179.9° |
| C09 | C08 | C07 | H071 | 179.5° | 179.9° |
| C08 | C09 | N10 | H101 | 15.7° | 7.7° |
| N40 | C39 | C38 | H391 | 120.1° | 119.3° |
| N40 | C39 | C38 | H392 | 120.1° | 118.1° |
| C39 | N40 | C43 | C44 | 48.9° | 64.0° |
| N40 | C39 | C38 | N37 | 55.7° | 65.4° |
| N40 | C39 | C38 | H382 | 176.2° | 176.7° |
| N40 | C39 | C38 | H381 | 64.8° | 54.8° |
| N40 | C39 | H391 | H392 | 119.7° | 120.3° |
| C39 | N40 | C41 | H412 | 52.0° | 110.2° |
| C39 | N40 | C41 | H411 | 170.2° | 10.2° |
| C39 | N40 | C43 | H432 | 169.4° | 54.8° |
| C39 | N40 | C43 | H431 | 71.5° | 176.2° |
| C43 | N40 | C39 | C38 | 53.5° | 64.4° |
| N40 | C43 | C44 | H432 | 120.5° | 118.5° |
| N40 | C43 | C44 | H431 | 120.4° | 119.2° |
| N40 | C43 | C44 | N37 | 45.1° | 64.6° |
| C43 | N40 | C39 | H391 | 66.6° | 175.7° |
| C43 | N40 | C39 | H392 | 173.6° | 54.1° |
| C43 | N40 | C41 | H412 | 169.9° | 13.3° |
| C43 | N40 | C41 | H411 | 51.7° | 133.6° |
| N40 | C43 | H432 | H431 | 118.5° | 120.6° |
| N40 | C43 | C44 | H441 | 75.6° | 56.0° |
| N40 | C43 | C44 | H442 | 165.9° | 177.6° |
| C39 | C38 | N37 | H382 | 120.5° | 118.5° |
| C39 | C38 | N37 | H381 | 120.5° | 119.2° |
| C39 | C38 | N37 | C44 | 53.0° | 65.9° |
| C39 | C38 | N37 | C36 | 177.5° | 175.1° |
| C39 | C38 | H382 | H381 | 118.5° | 120.9° |
| C38 | C39 | H391 | H392 | 119.7° | 121.8° |
| C27 | C28 | C29 | H281 | 120.9° | 120.3° |
| C27 | C28 | C29 | H282 | 120.9° | 121.6° |
| C28 | C27 | C02 | N03 | 58.1° | 133.2° |
| C28 | C27 | C02 | N48 | 119.9° | 122.6° |
| C28 | C27 | C02 | H271 | 119.9° | 118.5° |
| C28 | C27 | N48 | H271 | 119.7° | 119.5° |
| C27 | C28 | C29 | C47 | 97.5° | 73.6° |
| C27 | C28 | C29 | C30 | 84.3° | 106.8° |
| C28 | C27 | C02 | O01 | 123.4° | 48.4° |
| C28 | C27 | N48 | S49 | 108.9° | 145.0° |
| C27 | C28 | H281 | H282 | 117.4° | 118.8° |
| C28 | C27 | N48 | H481 | 11.5° | 35.0° |
| C29 | C28 | C27 | C02 | 64.2° | 108.5° |
| C29 | C28 | C27 | N48 | 54.9° | 14.0° |
| C28 | C29 | C47 | C30 | 178.2° | 179.6° |
| C28 | C29 | C47 | C46 | 178.9° | 178.9° |
| C28 | C29 | C30 | C31 | 179.1° | 179.2° |
| C29 | C28 | H281 | H282 | 117.4° | 119.1° |
| C29 | C28 | C27 | H271 | 175.5° | 133.7° |
| C28 | C29 | C30 | H301 | 0.9° | 0.9° |
| C28 | C29 | C47 | H471 | 1.1° | 1.5° |
| C04 | N03 | C02 | H031 | 180.0° | 179.3° |
| N03 | C04 | C15 | O26 | 27.2° | 21.3° |
| N03 | C04 | C15 | H041 | 118.6° | 118.6° |
| C04 | N03 | C02 | C27 | 178.4° | 158.9° |
| N03 | C04 | C15 | N16 | 150.8° | 158.6° |
| C04 | N03 | C02 | O01 | 0.1° | 19.4° |
| N03 | C04 | C05 | H051 | 160.5° | 170.8° |
| N03 | C04 | C05 | H052 | 40.1° | 73.6° |
| C02 | N03 | C04 | C15 | 72.3° | 99.3° |
| N03 | C02 | C27 | O01 | 178.5° | 178.3° |
| N03 | C02 | C27 | N48 | 178.0° | 10.6° |
| C02 | N03 | C04 | H041 | 45.7° | 18.7° |
| N03 | C02 | C27 | H271 | 61.8° | 108.2° |
| O26 | C15 | C04 | N16 | 178.1° | 180.0° |
| O26 | C15 | N16 | C17 | 0.5° | 0.0° |
| O26 | C15 | C04 | H041 | 145.8° | 140.0° |
| O26 | C15 | N16 | H161 | 179.5° | 180.0° |
| C04 | C15 | N16 | C17 | 177.5° | 180.0° |
| C15 | C04 | C05 | H051 | 43.7° | 46.7° |
| C15 | C04 | C05 | H052 | 76.7° | 162.3° |
| C15 | C04 | N03 | H031 | 107.7° | 80.0° |
| C04 | C15 | N16 | H161 | 2.5° | 0.0° |
| CL55 | C54 | C56 | C53 | 179.9° | 179.9° |
| CL55 | C54 | C56 | C50 | 179.8° | 179.9° |
| CL55 | C54 | C53 | C52 | 179.8° | 179.9° |
| CL55 | C54 | C53 | H531 | 0.2° | 0.0° |
| CL55 | C54 | C56 | H561 | 0.3° | 0.0° |
| O58 | S49 | N48 | C27 | 49.0° | 178.5° |
| O58 | S49 | C50 | C56 | 26.8° | 156.2° |
| O58 | S49 | C50 | N48 | 123.3° | 113.6° |
| O58 | S49 | C50 | O57 | 116.1° | 132.9° |
| O58 | S49 | N48 | O57 | 115.6° | 133.0° |
| O58 | S49 | C50 | C51 | 154.7° | 23.5° |
| O58 | S49 | N48 | H481 | 71.4° | 1.5° |
| C02 | C27 | N48 | H271 | 119.5° | 117.9° |
| C02 | C27 | N48 | S49 | 130.3° | 92.4° |
| C02 | C27 | C28 | H281 | 174.9° | 131.0° |
| C02 | C27 | C28 | H282 | 56.6° | 13.2° |
| C27 | C02 | N03 | H031 | 1.6° | 21.8° |
| C02 | C27 | N48 | H481 | 109.3° | 87.6° |
| N48 | C27 | C02 | O01 | 3.4° | 171.1° |
| C27 | N48 | S49 | C50 | 75.8° | 65.0° |
| C27 | N48 | S49 | H481 | 120.4° | 180.0° |
| C27 | N48 | S49 | O57 | 164.7° | 48.5° |
| N48 | C27 | C28 | H281 | 65.9° | 106.6° |
| N48 | C27 | C28 | H282 | 175.8° | 135.6° |
| C15 | N16 | C17 | H161 | 180.0° | 180.0° |
| C15 | N16 | C17 | C18 | 106.9° | 180.0° |
| C15 | N16 | C17 | H172 | 134.1° | 60.0° |
| C15 | N16 | C17 | H171 | 12.1° | 59.9° |
| N16 | C15 | C04 | H041 | 32.3° | 40.0° |
| C29 | C47 | C46 | H471 | 180.0° | 179.6° |
| C29 | C47 | C46 | C32 | 0.5° | 2.1° |
| C47 | C29 | C30 | C31 | 0.9° | 0.4° |
| C47 | C29 | C28 | H281 | 141.6° | 46.7° |
| C47 | C29 | C28 | H282 | 23.4° | 164.8° |
| C47 | C29 | C30 | H301 | 179.1° | 179.5° |
| C29 | C47 | C46 | H461 | 179.5° | 177.8° |
| C46 | C47 | C29 | C30 | 0.7° | 1.5° |
| C47 | C46 | C32 | H461 | 180.0° | 180.0° |
| C47 | C46 | C32 | C31 | 1.5° | 0.9° |
| C47 | C46 | C32 | N33 | 178.8° | 177.4° |
| C43 | C44 | N37 | C38 | 47.9° | 65.5° |
| C43 | C44 | N37 | H441 | 120.7° | 119.7° |
| C43 | C44 | N37 | H442 | 120.7° | 118.7° |
| C43 | C44 | N37 | C36 | 173.1° | 175.0° |
| C44 | C43 | H432 | H431 | 118.6° | 122.0° |
| C43 | C44 | H441 | H442 | 117.8° | 121.2° |
| C29 | C30 | C31 | H301 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.0° | 1.6° |
| C30 | C29 | C28 | H281 | 36.6° | 132.9° |
| C30 | C29 | C28 | H282 | 154.8° | 14.8° |
| C29 | C30 | C31 | H311 | 180.0° | 179.4° |
| C30 | C29 | C47 | H471 | 179.3° | 178.1° |
| C38 | N37 | C44 | C36 | 125.2° | 109.5° |
| C38 | N37 | C36 | C35 | 97.3° | 45.4° |
| C38 | N37 | C36 | H362 | 23.2° | 75.7° |
| C38 | N37 | C36 | H361 | 142.1° | 165.3° |
| N37 | C38 | H382 | H381 | 118.5° | 122.3° |
| N37 | C38 | C39 | H391 | 64.4° | 175.3° |
| N37 | C38 | C39 | H392 | 175.8° | 52.7° |
| C38 | N37 | C44 | H441 | 72.9° | 54.2° |
| C38 | N37 | C44 | H442 | 168.6° | 175.8° |
| O01 | C02 | C27 | H271 | 116.7° | 70.1° |
| O01 | C02 | N03 | H031 | 179.9° | 159.9° |
| C54 | C56 | C50 | H561 | 180.0° | 180.0° |
| C54 | C56 | C50 | S49 | 179.3° | 179.7° |
| C54 | C56 | C50 | C51 | 0.8° | 0.0° |
| C56 | C54 | C53 | C52 | 0.1° | 0.0° |
| C56 | C54 | C53 | H531 | 179.9° | 180.0° |
| C50 | C56 | C54 | C53 | 0.3° | 0.0° |
| C56 | C50 | S49 | C51 | 178.5° | 179.7° |
| C56 | C50 | S49 | N48 | 150.1° | 90.2° |
| C56 | C50 | S49 | O57 | 89.2° | 23.3° |
| C56 | C50 | C51 | C52 | 0.8° | 0.0° |
| C56 | C50 | C51 | H511 | 179.2° | 179.9° |
| C54 | C53 | C52 | H531 | 180.0° | 180.0° |
| C54 | C53 | C52 | C51 | 0.1° | 0.0° |
| C54 | C53 | C52 | H521 | 179.9° | 179.9° |
| C53 | C54 | C56 | H561 | 179.7° | 180.0° |
| C46 | C32 | C31 | C30 | 1.2° | 1.0° |
| C46 | C32 | C31 | N33 | 177.0° | 178.3° |
| C46 | C32 | N33 | C34 | 140.0° | 31.7° |
| C46 | C32 | C31 | H311 | 178.8° | 180.0° |
| C32 | C46 | C47 | H471 | 179.5° | 177.5° |
| C46 | C32 | N33 | H331 | 40.0° | 148.3° |
| C30 | C31 | C32 | H311 | 180.0° | 179.0° |
| C30 | C31 | C32 | N33 | 178.2° | 179.3° |
| N16 | C17 | C18 | H172 | 119.0° | 120.0° |
| N16 | C17 | C18 | H171 | 119.0° | 120.0° |
| N16 | C17 | C18 | C19 | 58.8° | 90.0° |
| N16 | C17 | C18 | C25 | 119.7° | 89.4° |
| N16 | C17 | H172 | H171 | 122.9° | 120.0° |
| C50 | S49 | N48 | O57 | 119.5° | 113.5° |
| S49 | C50 | C51 | C52 | 179.3° | 179.7° |
| S49 | C50 | C51 | H511 | 0.7° | 0.3° |
| S49 | C50 | C56 | H561 | 0.7° | 0.3° |
| C50 | S49 | N48 | H481 | 163.8° | 115.0° |
| N48 | S49 | C50 | C51 | 31.3° | 90.0° |
| S49 | N48 | C27 | H271 | 10.8° | 25.5° |
| O57 | S49 | C50 | C51 | 89.3° | 156.4° |
| O57 | S49 | N48 | H481 | 44.3° | 131.4° |
| C44 | N37 | C36 | C35 | 137.3° | 64.8° |
| C44 | N37 | C36 | H362 | 102.1° | 174.0° |
| C44 | N37 | C36 | H361 | 16.7° | 55.1° |
| C44 | N37 | C38 | H382 | 173.5° | 175.7° |
| C44 | N37 | C38 | H381 | 67.5° | 53.3° |
| N37 | C44 | C43 | H432 | 165.6° | 53.9° |
| N37 | C44 | C43 | H431 | 75.3° | 176.2° |
| N37 | C44 | H441 | H442 | 117.8° | 120.3° |
| C50 | C51 | C52 | C53 | 0.4° | 0.0° |
| C50 | C51 | C52 | H511 | 180.0° | 179.9° |
| C50 | C51 | C52 | H521 | 179.6° | 180.0° |
| C51 | C50 | C56 | H561 | 179.2° | 180.0° |
| N37 | C36 | C35 | H362 | 120.5° | 120.5° |
| N37 | C36 | C35 | H361 | 120.6° | 119.4° |
| N37 | C36 | C35 | C34 | 66.0° | 142.7° |
| N37 | C36 | C35 | H352 | 174.0° | 22.8° |
| N37 | C36 | C35 | H351 | 53.9° | 97.6° |
| N37 | C36 | H362 | H361 | 118.3° | 118.8° |
| C36 | N37 | C38 | H382 | 62.0° | 66.4° |
| C36 | N37 | C38 | H381 | 57.0° | 56.0° |
| C36 | N37 | C44 | H441 | 52.3° | 55.3° |
| C36 | N37 | C44 | H442 | 66.2° | 66.3° |
| C17 | C18 | C19 | C25 | 178.5° | 179.5° |
| C17 | C18 | C19 | C20 | 179.3° | 180.0° |
| C17 | C18 | C25 | C24 | 179.2° | 179.7° |
| C18 | C17 | H172 | H171 | 122.9° | 120.1° |
| C17 | C18 | C19 | H191 | 0.7° | 0.5° |
| C17 | C18 | C25 | H251 | 0.8° | 0.5° |
| C18 | C17 | N16 | H161 | 73.1° | 0.0° |
| C53 | C52 | C51 | H521 | 180.0° | 180.0° |
| C53 | C52 | C51 | H511 | 179.6° | 179.9° |
| C31 | C32 | N33 | C34 | 37.2° | 150.1° |
| C32 | C31 | C30 | H301 | 180.0° | 178.2° |
| C31 | C32 | C46 | H461 | 178.5° | 179.1° |
| C31 | C32 | N33 | H331 | 142.8° | 29.9° |
| C32 | N33 | C34 | O45 | 1.6° | 140.3° |
| C32 | N33 | C34 | H331 | 180.0° | 180.0° |
| C32 | N33 | C34 | C35 | 176.1° | 39.3° |
| N33 | C32 | C31 | H311 | 1.8° | 1.7° |
| N33 | C32 | C46 | H461 | 1.3° | 2.7° |
| C51 | C52 | C53 | H531 | 179.9° | 180.0° |
| C36 | C35 | C34 | O45 | 77.2° | 35.4° |
| C36 | C35 | C34 | N33 | 100.5° | 145.0° |
| C36 | C35 | C34 | H352 | 120.0° | 121.7° |
| C36 | C35 | C34 | H351 | 119.9° | 120.2° |
| C36 | C35 | H352 | H351 | 120.1° | 120.7° |
| C35 | C36 | H362 | H361 | 118.3° | 120.5° |
| O45 | C34 | N33 | C35 | 177.7° | 179.6° |
| O45 | C34 | C35 | H352 | 42.8° | 157.1° |
| O45 | C34 | C35 | H351 | 162.9° | 84.8° |
| O45 | C34 | N33 | H331 | 178.4° | 39.7° |
| N33 | C34 | C35 | H352 | 139.5° | 23.3° |
| N33 | C34 | C35 | H351 | 19.4° | 94.8° |
| C34 | C35 | H352 | H351 | 120.1° | 118.0° |
| C34 | C35 | C36 | H362 | 54.5° | 96.8° |
| C34 | C35 | C36 | H361 | 173.4° | 23.3° |
| C35 | C34 | N33 | H331 | 3.9° | 140.7° |
| C18 | C19 | C20 | H191 | 180.0° | 179.4° |
| C19 | C18 | C25 | C24 | 0.7° | 0.8° |
| C18 | C19 | C20 | C21 | 0.2° | 0.0° |
| C19 | C18 | C17 | H172 | 177.8° | 150.0° |
| C19 | C18 | C17 | H171 | 60.2° | 30.0° |
| C18 | C19 | C20 | H201 | 179.8° | 179.7° |
| C19 | C18 | C25 | H251 | 179.3° | 180.0° |
| C25 | C18 | C19 | C20 | 0.7° | 0.6° |
| C18 | C25 | C24 | H251 | 180.0° | 179.2° |
| C18 | C25 | C24 | C21 | 0.2° | 0.5° |
| C25 | C18 | C17 | H172 | 0.7° | 30.5° |
| C25 | C18 | C17 | H171 | 121.3° | 150.5° |
| C18 | C25 | C24 | H241 | 179.8° | 179.4° |
| C25 | C18 | C19 | H191 | 179.3° | 180.0° |
| C19 | C20 | C21 | H201 | 180.0° | 179.7° |
| C19 | C20 | C21 | C24 | 0.3° | 0.2° |
| C19 | C20 | C21 | C22 | 180.0° | 179.7° |
| C25 | C24 | C21 | C20 | 0.3° | 0.0° |
| C25 | C24 | C21 | H241 | 180.0° | 179.9° |
| C25 | C24 | C21 | C22 | 180.0° | 179.9° |
| C20 | C21 | C24 | C22 | 179.7° | 179.9° |
| C20 | C21 | C22 | N23 | 162.0° | 90.0° |
| C20 | C21 | C22 | H221 | 77.6° | 150.1° |
| C20 | C21 | C22 | H222 | 41.7° | 30.0° |
| C20 | C21 | C24 | H241 | 179.7° | 179.9° |
| C21 | C20 | C19 | H191 | 179.8° | 179.5° |
| C24 | C21 | C22 | N23 | 17.7° | 90.0° |
| C24 | C21 | C20 | H201 | 179.7° | 180.0° |
| C24 | C21 | C22 | H221 | 102.7° | 30.0° |
| C24 | C21 | C22 | H222 | 138.0° | 150.1° |
| C21 | C24 | C25 | H251 | 179.8° | 179.7° |
| C21 | C22 | N23 | H221 | 120.3° | 120.0° |
| C21 | C22 | N23 | H222 | 120.3° | 120.0° |
| C22 | C21 | C20 | H201 | 0.0° | 0.0° |
| C21 | C22 | H221 | H222 | 119.0° | 120.0° |
| C22 | C21 | C24 | H241 | 0.0° | 0.0° |
| C21 | C22 | N23 | H231 | 180.0° | 56.0° |
| C21 | C22 | N23 | H232 | 60.0° | 180.0° |
| N23 | C22 | H221 | H222 | 119.0° | 119.9° |
| C22 | N23 | H231 | H232 | 120.0° | 124.0° |
| H131 | C13 | C14 | H141 | 0.1° | 2.9° |
| H172 | C17 | N16 | H161 | 45.9° | 120.0° |
| H171 | C17 | N16 | H161 | 167.9° | 120.1° |
| H201 | C20 | C19 | H191 | 0.2° | 0.3° |
| H221 | C22 | N23 | H231 | 59.7° | 64.0° |
| H221 | C22 | N23 | H232 | 179.7° | 60.0° |
| H222 | C22 | N23 | H231 | 59.7° | 176.0° |
| H222 | C22 | N23 | H232 | 60.3° | 60.0° |
| H241 | C24 | C25 | H251 | 0.2° | 0.2° |
| H281 | C28 | C27 | H271 | 54.7° | 13.1° |
| H282 | C28 | C27 | H271 | 63.6° | 104.7° |
| H041 | C04 | C05 | H051 | 78.9° | 70.8° |
| H041 | C04 | C05 | H052 | 160.6° | 44.8° |
| H041 | C04 | N03 | H031 | 134.4° | 161.9° |
| H071 | C07 | C08 | H081 | 0.5° | 0.1° |
| H271 | C27 | N48 | H481 | 131.2° | 154.5° |
| H301 | C30 | C31 | H311 | 0.0° | 0.8° |
| H352 | C35 | C36 | H362 | 65.4° | 143.2° |
| H352 | C35 | C36 | H361 | 53.5° | 96.6° |
| H351 | C35 | C36 | H362 | 174.4° | 22.9° |
| H351 | C35 | C36 | H361 | 66.6° | 143.0° |
| H382 | C38 | C39 | H391 | 56.1° | 57.4° |
| H382 | C38 | C39 | H392 | 63.7° | 65.2° |
| H381 | C38 | C39 | H391 | 175.0° | 64.5° |
| H381 | C38 | C39 | H392 | 55.3° | 172.9° |
| H412 | C41 | C42 | H421 | 86.0° | 145.8° |
| H412 | C41 | C42 | H422 | 155.5° | 24.9° |
| H411 | C41 | C42 | H421 | 32.2° | 92.1° |
| H411 | C41 | C42 | H422 | 86.2° | 147.0° |
| H432 | C43 | C44 | H441 | 44.9° | 174.5° |
| H432 | C43 | C44 | H442 | 73.7° | 63.8° |
| H431 | C43 | C44 | H441 | 164.0° | 63.2° |
| H431 | C43 | C44 | H442 | 45.4° | 58.4° |
| H461 | C46 | C47 | H471 | 0.5° | 2.6° |
| H511 | C51 | C52 | H521 | 0.4° | 0.0° |
| H521 | C52 | C53 | H531 | 0.1° | 0.0° |
