LWR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O61 | C57 | doub | 1.21Å | 1.21Å | |
| C01 | C02 | sing | 1.53Å | 1.56Å | |
| O59 | C58 | sing | 1.43Å | 1.38Å | |
| C57 | C58 | sing | 1.50Å | 1.51Å | |
| C57 | C56 | sing | 1.49Å | 1.48Å | |
| O62 | C56 | doub | 1.21Å | 1.21Å | |
| C58 | C02 | sing | 1.53Å | 1.55Å | |
| C58 | O60 | sing | 1.43Å | 1.38Å | |
| C02 | C03 | sing | 1.53Å | 1.54Å | |
| C56 | N55 | sing | 1.35Å | 1.41Å | |
| C03 | C04 | sing | 1.53Å | 1.51Å | |
| O60 | C05 | sing | 1.43Å | 1.42Å | |
| N55 | C54 | sing | 1.47Å | 1.51Å | |
| N55 | C50 | sing | 1.46Å | 1.44Å | |
| C54 | C53 | sing | 1.53Å | 1.51Å | |
| C05 | C04 | sing | 1.53Å | 1.50Å | |
| C05 | C06 | sing | 1.53Å | 1.52Å | |
| C53 | C52 | sing | 1.53Å | 1.50Å | |
| C50 | C51 | sing | 1.53Å | 1.54Å | |
| C50 | C49 | sing | 1.51Å | 1.46Å | |
| C51 | C52 | sing | 1.53Å | 1.52Å | |
| O08 | C09 | sing | 1.43Å | 1.47Å | |
| O08 | C07 | sing | 1.43Å | 1.41Å | |
| C06 | C07 | sing | 1.53Å | 1.50Å | |
| C49 | O48 | sing | 1.34Å | 1.34Å | |
| C49 | O63 | doub | 1.21Å | 1.22Å | |
| O48 | C35 | sing | 1.45Å | 1.38Å | |
| C07 | C10 | sing | 1.51Å | 1.50Å | |
| C45 | O44 | sing | 1.43Å | 1.44Å | |
| C47 | C36 | sing | 1.53Å | 1.50Å | |
| C11 | C10 | sing | 1.51Å | 1.52Å | |
| C35 | C36 | sing | 1.53Å | 1.54Å | |
| C35 | C34 | sing | 1.53Å | 1.54Å | |
| C36 | C37 | sing | 1.53Å | 1.60Å | |
| C10 | C12 | doub | 1.33Å | 1.32Å | |
| O44 | C43 | sing | 1.43Å | 1.42Å | |
| C34 | C33 | sing | 1.51Å | 1.47Å | |
| C46 | C43 | sing | 1.53Å | 1.57Å | |
| C46 | C38 | sing | 1.53Å | 1.54Å | |
| N64 | C33 | doub | 1.28Å | 1.33Å | |
| N64 | O65 | sing | 1.42Å | 1.37Å | |
| C12 | C13 | sing | 1.48Å | 1.43Å | |
| C43 | C41 | sing | 1.53Å | 1.56Å | |
| C67 | C66 | sing | 1.53Å | 1.50Å | |
| C33 | C31 | sing | 1.51Å | 1.54Å | |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| C38 | C39 | sing | 1.53Å | 1.56Å | |
| O65 | C66 | sing | 1.43Å | 1.48Å | |
| C13 | C14 | doub | 1.32Å | 1.31Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C31 | C30 | sing | 1.51Å | 1.52Å | |
| C41 | O42 | sing | 1.43Å | 1.42Å | |
| C41 | C40 | sing | 1.53Å | 1.56Å | |
| C39 | C40 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.45Å | 1.43Å | |
| C30 | C28 | doub | 1.31Å | 1.33Å | |
| C29 | C28 | sing | 1.51Å | 1.61Å | |
| C28 | C26 | sing | 1.51Å | 1.52Å | |
| C15 | C16 | doub | 1.34Å | 1.32Å | |
| C26 | O27 | sing | 1.43Å | 1.43Å | |
| C26 | C23 | sing | 1.53Å | 1.55Å | |
| C16 | C17 | sing | 1.51Å | 1.48Å | |
| C21 | C20 | sing | 1.53Å | 1.49Å | |
| C23 | C22 | sing | 1.51Å | 1.52Å | |
| C23 | O24 | sing | 1.43Å | 1.40Å | |
| C20 | C22 | sing | 1.51Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.58Å | |
| C22 | O68 | doub | 1.21Å | 1.23Å | |
| C17 | C19 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.44Å | |
| O24 | C25 | sing | 1.43Å | 1.43Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.05Å | 1.08Å | |
| C14 | H141 | sing | 1.11Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C09 | H093 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C45 | H453 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C47 | H473 | sing | 1.09Å | 1.10Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C51 | H512 | sing | 1.09Å | 1.10Å | |
| C51 | H511 | sing | 1.09Å | 1.10Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| C52 | H522 | sing | 1.09Å | 1.10Å | |
| C53 | H532 | sing | 1.09Å | 1.10Å | |
| C53 | H531 | sing | 1.09Å | 1.10Å | |
| C54 | H541 | sing | 1.09Å | 1.10Å | |
| C54 | H542 | sing | 1.09Å | 1.10Å | |
| C66 | H662 | sing | 1.09Å | 1.10Å | |
| C66 | H661 | sing | 1.09Å | 1.10Å | |
| C67 | H671 | sing | 1.09Å | 1.10Å | |
| C67 | H672 | sing | 1.09Å | 1.10Å | |
| C67 | H673 | sing | 1.09Å | 1.10Å | |
| O27 | H271 | sing | 0.97Å | 0.95Å | |
| O42 | H421 | sing | 0.97Å | 0.95Å | |
| O59 | H591 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O61 | C57 | C58 | 119.6° | 119.3° |
| O61 | C57 | C56 | 118.0° | 119.3° |
| C01 | C02 | C58 | 112.4° | 109.3° |
| C01 | C02 | C03 | 110.3° | 109.4° |
| C02 | C01 | H012 | 109.5° | 109.4° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C01 | C02 | H021 | 108.2° | 109.3° |
| O59 | C58 | C57 | 110.6° | 109.9° |
| O59 | C58 | C02 | 111.7° | 109.5° |
| O59 | C58 | O60 | 110.7° | 109.1° |
| C58 | O59 | H591 | 109.5° | 114.0° |
| C58 | C57 | C56 | 122.2° | 121.5° |
| C57 | C58 | C02 | 111.7° | 108.7° |
| C57 | C58 | O60 | 102.5° | 110.4° |
| C57 | C56 | O62 | 119.2° | 120.2° |
| C57 | C56 | N55 | 118.6° | 119.6° |
| O62 | C56 | N55 | 122.1° | 120.1° |
| C02 | C58 | O60 | 109.2° | 109.2° |
| C58 | C02 | C03 | 109.0° | 110.4° |
| C58 | C02 | H021 | 108.3° | 109.3° |
| C58 | O60 | C05 | 115.6° | 113.6° |
| C02 | C03 | C04 | 110.5° | 109.8° |
| C03 | C02 | H021 | 108.5° | 109.1° |
| C02 | C03 | H031 | 109.2° | 109.4° |
| C02 | C03 | H032 | 109.2° | 109.4° |
| C56 | N55 | C54 | 121.3° | 118.6° |
| C56 | N55 | C50 | 119.3° | 122.0° |
| C03 | C04 | C05 | 111.7° | 108.9° |
| C04 | C03 | H031 | 109.2° | 109.4° |
| C04 | C03 | H032 | 109.2° | 109.4° |
| C03 | C04 | H041 | 108.9° | 109.6° |
| C03 | C04 | H042 | 108.9° | 109.5° |
| O60 | C05 | C04 | 109.8° | 109.6° |
| O60 | C05 | C06 | 105.4° | 110.1° |
| O60 | C05 | H051 | 111.3° | 109.1° |
| C54 | N55 | C50 | 119.3° | 119.4° |
| N55 | C54 | C53 | 111.4° | 108.3° |
| N55 | C54 | H541 | 109.0° | 109.7° |
| N55 | C54 | H542 | 109.0° | 109.8° |
| N55 | C50 | C51 | 109.8° | 109.3° |
| N55 | C50 | C49 | 114.5° | 111.4° |
| N55 | C50 | H501 | 108.5° | 109.4° |
| C54 | C53 | C52 | 109.9° | 109.4° |
| C54 | C53 | H532 | 109.4° | 109.5° |
| C54 | C53 | H531 | 109.4° | 109.5° |
| C53 | C54 | H541 | 109.0° | 109.7° |
| C53 | C54 | H542 | 109.0° | 109.7° |
| C04 | C05 | C06 | 110.2° | 109.4° |
| C05 | C04 | H041 | 108.9° | 109.6° |
| C05 | C04 | H042 | 108.9° | 109.7° |
| C04 | C05 | H051 | 110.2° | 109.5° |
| C05 | C06 | C07 | 116.3° | 109.4° |
| C06 | C05 | H051 | 109.8° | 109.1° |
| C05 | C06 | H061 | 107.7° | 109.5° |
| C05 | C06 | H062 | 107.7° | 109.5° |
| C53 | C52 | C51 | 110.9° | 109.9° |
| C53 | C52 | H521 | 109.1° | 109.4° |
| C53 | C52 | H522 | 109.1° | 109.3° |
| C52 | C53 | H532 | 109.4° | 109.4° |
| C52 | C53 | H531 | 109.4° | 109.5° |
| C51 | C50 | C49 | 108.0° | 109.1° |
| C50 | C51 | C52 | 113.7° | 108.9° |
| C51 | C50 | H501 | 107.4° | 108.4° |
| C50 | C51 | H512 | 108.4° | 109.6° |
| C50 | C51 | H511 | 108.4° | 109.6° |
| C50 | C49 | O48 | 117.6° | 118.9° |
| C50 | C49 | O63 | 120.2° | 120.5° |
| C49 | C50 | H501 | 108.3° | 109.1° |
| C52 | C51 | H512 | 108.4° | 109.5° |
| C52 | C51 | H511 | 108.4° | 109.5° |
| C51 | C52 | H521 | 109.1° | 109.4° |
| C51 | C52 | H522 | 109.1° | 109.4° |
| C09 | O08 | C07 | 114.7° | 114.0° |
| O08 | C09 | H093 | 109.5° | 109.5° |
| O08 | C09 | H091 | 109.4° | 109.5° |
| O08 | C09 | H092 | 109.5° | 109.5° |
| O08 | C07 | C06 | 108.9° | 109.2° |
| O08 | C07 | C10 | 111.4° | 109.3° |
| O08 | C07 | H071 | 108.8° | 109.1° |
| C06 | C07 | C10 | 112.2° | 110.5° |
| C07 | C06 | H061 | 107.7° | 109.5° |
| C07 | C06 | H062 | 107.7° | 109.5° |
| C06 | C07 | H071 | 107.6° | 109.3° |
| O48 | C49 | O63 | 122.3° | 120.6° |
| C49 | O48 | C35 | 117.5° | 117.8° |
| O48 | C35 | C36 | 112.0° | 109.5° |
| O48 | C35 | C34 | 109.6° | 109.1° |
| O48 | C35 | H351 | 107.4° | 109.6° |
| C07 | C10 | C11 | 118.3° | 119.7° |
| C07 | C10 | C12 | 125.0° | 120.6° |
| C10 | C07 | H071 | 107.7° | 109.3° |
| C45 | O44 | C43 | 114.5° | 114.0° |
| O44 | C45 | H452 | 109.5° | 109.5° |
| O44 | C45 | H451 | 109.5° | 109.5° |
| O44 | C45 | H453 | 109.5° | 109.5° |
| C47 | C36 | C35 | 109.5° | 109.5° |
| C47 | C36 | C37 | 110.4° | 109.5° |
| C47 | C36 | H361 | 109.0° | 109.5° |
| C36 | C47 | H471 | 109.5° | 109.5° |
| C36 | C47 | H472 | 109.5° | 109.5° |
| C36 | C47 | H473 | 109.5° | 109.5° |
| C11 | C10 | C12 | 116.7° | 119.7° |
| C10 | C11 | H113 | 109.5° | 109.5° |
| C10 | C11 | H111 | 109.5° | 109.5° |
| C10 | C11 | H112 | 109.5° | 109.5° |
| C36 | C35 | C34 | 115.9° | 109.5° |
| C35 | C36 | C37 | 111.6° | 109.5° |
| C36 | C35 | H351 | 105.6° | 109.6° |
| C35 | C36 | H361 | 108.5° | 109.5° |
| C35 | C34 | C33 | 117.5° | 109.6° |
| C35 | C34 | H341 | 107.4° | 109.5° |
| C35 | C34 | H342 | 107.4° | 109.4° |
| C34 | C35 | H351 | 105.6° | 109.6° |
| C36 | C37 | C38 | 122.2° | 109.5° |
| C37 | C36 | H361 | 107.8° | 109.5° |
| C36 | C37 | H371 | 106.2° | 109.5° |
| C36 | C37 | H372 | 106.2° | 109.5° |
| C10 | C12 | C13 | 134.0° | 121.0° |
| C10 | C12 | H121 | 113.0° | 120.7° |
| O44 | C43 | C46 | 109.0° | 109.4° |
| O44 | C43 | C41 | 109.0° | 109.5° |
| O44 | C43 | H431 | 111.4° | 109.5° |
| C34 | C33 | N64 | 113.9° | 120.1° |
| C34 | C33 | C31 | 121.1° | 119.7° |
| C33 | C34 | H341 | 107.4° | 109.5° |
| C33 | C34 | H342 | 107.4° | 109.4° |
| C43 | C46 | C38 | 111.3° | 109.5° |
| C46 | C43 | C41 | 108.6° | 109.5° |
| C46 | C43 | H431 | 109.4° | 109.5° |
| C43 | C46 | H462 | 109.1° | 109.5° |
| C43 | C46 | H461 | 109.0° | 109.4° |
| C46 | C38 | C37 | 117.8° | 109.5° |
| C46 | C38 | C39 | 106.0° | 109.5° |
| C46 | C38 | H381 | 107.5° | 109.5° |
| C38 | C46 | H462 | 109.0° | 109.5° |
| C38 | C46 | H461 | 109.0° | 109.5° |
| C33 | N64 | O65 | 117.2° | 120.0° |
| N64 | C33 | C31 | 124.1° | 120.1° |
| N64 | O65 | C66 | 113.1° | 114.0° |
| C12 | C13 | C14 | 128.4° | 116.8° |
| C12 | C13 | H131 | 115.8° | 115.0° |
| C13 | C12 | H121 | 113.0° | 118.3° |
| C43 | C41 | O42 | 107.2° | 109.5° |
| C43 | C41 | C40 | 109.2° | 109.5° |
| C43 | C41 | H411 | 109.7° | 109.5° |
| C41 | C43 | H431 | 109.4° | 109.5° |
| C67 | C66 | O65 | 108.9° | 109.5° |
| C67 | C66 | H662 | 109.6° | 109.5° |
| C67 | C66 | H661 | 109.6° | 109.5° |
| C66 | C67 | H671 | 109.5° | 109.5° |
| C66 | C67 | H672 | 109.5° | 109.5° |
| C66 | C67 | H673 | 109.5° | 109.5° |
| C33 | C31 | C32 | 111.6° | 109.5° |
| C33 | C31 | C30 | 105.4° | 109.2° |
| C33 | C31 | H311 | 108.1° | 109.5° |
| C37 | C38 | C39 | 110.5° | 109.5° |
| C38 | C37 | H371 | 106.2° | 109.5° |
| C38 | C37 | H372 | 106.2° | 109.5° |
| C37 | C38 | H381 | 107.4° | 109.5° |
| C38 | C39 | C40 | 113.4° | 109.5° |
| C39 | C38 | H381 | 107.2° | 109.4° |
| C38 | C39 | H392 | 108.5° | 109.4° |
| C38 | C39 | H391 | 108.5° | 109.5° |
| O65 | C66 | H662 | 109.6° | 109.5° |
| O65 | C66 | H661 | 109.6° | 109.4° |
| C13 | C14 | C15 | 127.9° | 129.4° |
| C14 | C13 | H131 | 115.8° | 128.1° |
| C13 | C14 | H141 | 116.0° | 115.2° |
| C32 | C31 | C30 | 115.0° | 109.5° |
| C32 | C31 | H311 | 108.3° | 109.5° |
| C31 | C32 | H323 | 109.5° | 109.5° |
| C31 | C32 | H322 | 109.5° | 109.5° |
| C31 | C32 | H321 | 109.5° | 109.5° |
| C31 | C30 | C28 | 131.3° | 119.6° |
| C31 | C30 | H301 | 114.3° | 120.1° |
| C30 | C31 | H311 | 108.3° | 109.5° |
| O42 | C41 | C40 | 109.2° | 109.5° |
| O42 | C41 | H411 | 111.8° | 109.5° |
| C41 | O42 | H421 | 109.5° | 114.0° |
| C41 | C40 | C39 | 113.1° | 109.5° |
| C41 | C40 | H402 | 108.5° | 109.5° |
| C41 | C40 | H401 | 108.6° | 109.5° |
| C40 | C41 | H411 | 109.7° | 109.4° |
| C40 | C39 | H392 | 108.5° | 109.4° |
| C40 | C39 | H391 | 108.5° | 109.5° |
| C39 | C40 | H402 | 108.6° | 109.5° |
| C39 | C40 | H401 | 108.6° | 109.4° |
| C14 | C15 | C16 | 124.8° | 119.6° |
| C15 | C14 | H141 | 116.1° | 115.4° |
| C14 | C15 | H151 | 117.6° | 121.2° |
| C30 | C28 | C29 | 121.4° | 119.9° |
| C30 | C28 | C26 | 122.6° | 120.1° |
| C28 | C30 | H301 | 114.4° | 120.3° |
| C29 | C28 | C26 | 116.0° | 120.0° |
| C28 | C29 | H292 | 109.5° | 109.5° |
| C28 | C29 | H293 | 109.5° | 109.4° |
| C28 | C29 | H291 | 109.5° | 109.5° |
| C28 | C26 | O27 | 109.8° | 109.5° |
| C28 | C26 | C23 | 115.8° | 109.4° |
| C28 | C26 | H261 | 108.5° | 109.5° |
| C15 | C16 | C17 | 127.0° | 120.7° |
| C16 | C15 | H151 | 117.6° | 119.1° |
| C15 | C16 | H161 | 116.5° | 119.5° |
| O27 | C26 | C23 | 104.5° | 109.5° |
| O27 | C26 | H261 | 109.8° | 109.5° |
| C26 | O27 | H271 | 109.5° | 114.0° |
| C26 | C23 | C22 | 110.5° | 109.6° |
| C26 | C23 | O24 | 106.8° | 109.4° |
| C26 | C23 | H231 | 107.8° | 109.4° |
| C23 | C26 | H261 | 108.2° | 109.5° |
| C16 | C17 | C19 | 113.3° | 109.3° |
| C16 | C17 | C18 | 115.9° | 109.5° |
| C16 | C17 | H171 | 107.2° | 109.5° |
| C17 | C16 | H161 | 116.5° | 119.8° |
| C21 | C20 | C22 | 114.6° | 109.5° |
| C21 | C20 | C19 | 110.8° | 109.4° |
| C20 | C21 | H212 | 109.5° | 109.4° |
| C20 | C21 | H213 | 109.5° | 109.5° |
| C20 | C21 | H211 | 109.5° | 109.5° |
| C21 | C20 | H201 | 108.3° | 109.4° |
| C22 | C23 | O24 | 113.8° | 109.5° |
| C23 | C22 | C20 | 126.4° | 119.7° |
| C23 | C22 | O68 | 115.0° | 120.2° |
| C22 | C23 | H231 | 108.1° | 109.4° |
| C23 | O24 | C25 | 114.3° | 114.0° |
| O24 | C23 | H231 | 109.8° | 109.5° |
| C22 | C20 | C19 | 108.0° | 109.7° |
| C20 | C22 | O68 | 118.6° | 120.1° |
| C22 | C20 | H201 | 107.9° | 109.4° |
| C20 | C19 | C17 | 116.0° | 109.6° |
| C20 | C19 | H191 | 107.8° | 109.4° |
| C20 | C19 | H192 | 107.8° | 109.5° |
| C19 | C20 | H201 | 107.1° | 109.4° |
| C19 | C17 | C18 | 105.6° | 109.5° |
| C19 | C17 | H171 | 106.6° | 109.5° |
| C17 | C19 | H191 | 107.8° | 109.4° |
| C17 | C19 | H192 | 107.8° | 109.4° |
| C18 | C17 | H171 | 107.8° | 109.5° |
| C17 | C18 | H183 | 109.5° | 109.4° |
| C17 | C18 | H181 | 109.5° | 109.4° |
| C17 | C18 | H182 | 109.5° | 109.4° |
| O24 | C25 | H253 | 109.5° | 109.5° |
| O24 | C25 | H251 | 109.4° | 109.4° |
| O24 | C25 | H252 | 109.5° | 109.5° |
| H113 | C11 | H111 | 109.4° | 109.4° |
| H113 | C11 | H112 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.4° |
| H183 | C18 | H181 | 109.5° | 109.5° |
| H183 | C18 | H182 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.4° | 109.5° |
| H212 | C21 | H213 | 109.5° | 109.5° |
| H212 | C21 | H211 | 109.4° | 109.4° |
| H213 | C21 | H211 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.4° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.4° | 109.5° |
| H031 | C03 | H032 | 109.5° | 109.4° |
| H041 | C04 | H042 | 109.5° | 109.5° |
| H061 | C06 | H062 | 109.5° | 109.5° |
| H093 | C09 | H091 | 109.5° | 109.5° |
| H093 | C09 | H092 | 109.4° | 109.4° |
| H091 | C09 | H092 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.4° | 109.4° |
| H253 | C25 | H251 | 109.5° | 109.5° |
| H253 | C25 | H252 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H292 | C29 | H293 | 109.4° | 109.5° |
| H292 | C29 | H291 | 109.5° | 109.5° |
| H293 | C29 | H291 | 109.5° | 109.5° |
| H323 | C32 | H322 | 109.5° | 109.5° |
| H323 | C32 | H321 | 109.5° | 109.4° |
| H322 | C32 | H321 | 109.5° | 109.5° |
| H341 | C34 | H342 | 109.5° | 109.4° |
| H371 | C37 | H372 | 109.5° | 109.4° |
| H392 | C39 | H391 | 109.5° | 109.5° |
| H402 | C40 | H401 | 109.5° | 109.5° |
| H452 | C45 | H451 | 109.5° | 109.5° |
| H452 | C45 | H453 | 109.5° | 109.4° |
| H451 | C45 | H453 | 109.4° | 109.4° |
| H462 | C46 | H461 | 109.5° | 109.5° |
| H471 | C47 | H472 | 109.5° | 109.5° |
| H471 | C47 | H473 | 109.5° | 109.5° |
| H472 | C47 | H473 | 109.5° | 109.5° |
| H512 | C51 | H511 | 109.5° | 109.7° |
| H521 | C52 | H522 | 109.5° | 109.3° |
| H532 | C53 | H531 | 109.5° | 109.5° |
| H541 | C54 | H542 | 109.4° | 109.7° |
| H662 | C66 | H661 | 109.5° | 109.4° |
| H671 | C67 | H672 | 109.4° | 109.4° |
| H671 | C67 | H673 | 109.5° | 109.5° |
| H672 | C67 | H673 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O61 | C57 | C58 | O59 | 16.7° | 156.7° |
| O61 | C57 | C58 | C56 | 174.5° | 180.0° |
| O61 | C57 | C56 | O62 | 100.7° | 164.3° |
| O61 | C57 | C58 | C02 | 141.8° | 36.8° |
| O61 | C57 | C58 | O60 | 101.4° | 82.9° |
| O61 | C57 | C56 | N55 | 77.4° | 15.7° |
| C01 | C02 | C58 | O59 | 55.4° | 56.9° |
| C01 | C02 | C58 | C57 | 69.1° | 63.2° |
| C01 | C02 | C58 | C03 | 122.6° | 120.3° |
| C01 | C02 | C58 | H021 | 119.5° | 119.7° |
| C01 | C02 | C58 | O60 | 178.2° | 176.3° |
| C01 | C02 | C03 | H021 | 118.4° | 119.6° |
| C01 | C02 | C03 | C04 | 175.5° | 175.2° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 55.4° | 55.0° |
| C01 | C02 | C03 | H032 | 64.4° | 64.7° |
| O59 | C58 | C57 | C02 | 125.1° | 119.8° |
| O59 | C58 | C57 | O60 | 118.1° | 120.4° |
| O59 | C58 | C57 | C56 | 168.8° | 23.4° |
| O59 | C58 | C02 | O60 | 122.8° | 119.4° |
| O59 | C58 | C02 | C03 | 67.2° | 63.4° |
| O59 | C58 | O60 | C05 | 61.1° | 58.6° |
| O59 | C58 | C02 | H021 | 174.9° | 176.5° |
| C58 | C57 | C56 | O62 | 84.7° | 15.6° |
| C57 | C58 | C02 | O60 | 112.7° | 120.5° |
| C57 | C58 | C02 | C03 | 168.3° | 176.5° |
| C58 | C57 | C56 | N55 | 97.2° | 164.4° |
| C57 | C58 | O60 | C05 | 179.1° | 179.5° |
| C57 | C58 | C02 | H021 | 50.4° | 56.5° |
| C57 | C58 | O59 | H591 | 7.4° | 60.0° |
| C57 | C56 | O62 | N55 | 178.0° | 180.0° |
| C56 | C57 | C58 | C02 | 43.7° | 143.2° |
| C56 | C57 | C58 | O60 | 73.1° | 97.0° |
| C57 | C56 | N55 | C54 | 3.4° | 5.4° |
| C57 | C56 | N55 | C50 | 174.8° | 175.9° |
| O62 | C56 | N55 | C54 | 178.5° | 174.6° |
| O62 | C56 | N55 | C50 | 3.2° | 4.2° |
| C58 | C02 | C03 | H021 | 117.8° | 120.2° |
| C58 | C02 | C03 | C04 | 51.6° | 54.9° |
| C02 | C58 | O60 | C05 | 62.3° | 61.0° |
| C58 | C02 | C01 | H012 | 180.0° | 60.9° |
| C58 | C02 | C01 | H011 | 60.0° | 59.1° |
| C58 | C02 | C01 | H013 | 60.0° | 179.1° |
| C58 | C02 | C03 | H031 | 68.5° | 65.2° |
| C58 | C02 | C03 | H032 | 171.8° | 175.0° |
| C02 | C58 | O59 | H591 | 132.5° | 179.4° |
| O60 | C58 | C02 | C03 | 55.6° | 56.0° |
| C58 | O60 | C05 | C04 | 61.3° | 62.7° |
| C58 | O60 | C05 | C06 | 180.0° | 177.0° |
| O60 | C58 | C02 | H021 | 62.3° | 64.0° |
| C58 | O60 | C05 | H051 | 61.0° | 57.2° |
| O60 | C58 | O59 | H591 | 105.5° | 61.1° |
| C02 | C03 | C04 | H031 | 120.1° | 120.1° |
| C02 | C03 | C04 | H032 | 120.1° | 120.1° |
| C02 | C03 | C04 | C05 | 51.9° | 55.5° |
| C03 | C02 | C01 | H012 | 58.1° | 60.0° |
| C03 | C02 | C01 | H011 | 61.9° | 180.0° |
| C03 | C02 | C01 | H013 | 178.1° | 60.0° |
| C02 | C03 | H031 | H032 | 119.5° | 119.8° |
| C02 | C03 | C04 | H041 | 172.2° | 175.3° |
| C02 | C03 | C04 | H042 | 68.4° | 64.5° |
| C56 | N55 | C54 | C50 | 178.2° | 178.8° |
| C56 | N55 | C54 | C53 | 129.5° | 125.9° |
| C56 | N55 | C50 | C51 | 133.6° | 126.0° |
| C56 | N55 | C50 | C49 | 104.7° | 5.4° |
| C56 | N55 | C50 | H501 | 16.5° | 115.4° |
| C56 | N55 | C54 | H541 | 9.2° | 6.2° |
| C56 | N55 | C54 | H542 | 110.2° | 114.4° |
| C03 | C04 | C05 | O60 | 53.8° | 58.1° |
| C03 | C04 | C05 | H041 | 120.3° | 119.9° |
| C03 | C04 | C05 | H042 | 120.3° | 119.9° |
| C03 | C04 | C05 | C06 | 169.4° | 178.9° |
| C04 | C03 | C02 | H021 | 66.1° | 65.3° |
| C04 | C03 | H031 | H032 | 119.5° | 119.9° |
| C03 | C04 | H041 | H042 | 119.0° | 120.2° |
| C03 | C04 | C05 | H051 | 69.2° | 61.5° |
| O60 | C05 | C04 | C06 | 115.7° | 120.8° |
| O60 | C05 | C04 | H051 | 123.0° | 119.7° |
| O60 | C05 | C06 | H051 | 120.0° | 119.8° |
| O60 | C05 | C06 | C07 | 166.8° | 166.1° |
| O60 | C05 | C04 | H041 | 174.1° | 178.0° |
| O60 | C05 | C04 | H042 | 66.6° | 61.8° |
| O60 | C05 | C06 | H061 | 72.2° | 73.9° |
| O60 | C05 | C06 | H062 | 45.8° | 46.1° |
| N55 | C54 | C53 | H541 | 120.3° | 119.7° |
| N55 | C54 | C53 | H542 | 120.3° | 119.8° |
| N55 | C54 | C53 | C52 | 52.5° | 54.5° |
| C54 | N55 | C50 | C51 | 44.7° | 52.8° |
| C54 | N55 | C50 | C49 | 77.1° | 173.4° |
| C54 | N55 | C50 | H501 | 161.8° | 65.9° |
| N55 | C54 | C53 | H532 | 67.6° | 65.4° |
| N55 | C54 | C53 | H531 | 172.6° | 174.5° |
| N55 | C54 | H541 | H542 | 119.1° | 120.6° |
| C50 | N55 | C54 | C53 | 48.7° | 52.9° |
| N55 | C50 | C51 | C49 | 125.5° | 122.0° |
| N55 | C50 | C51 | H501 | 117.8° | 119.2° |
| N55 | C50 | C49 | H501 | 121.3° | 120.9° |
| N55 | C50 | C51 | C52 | 47.6° | 53.6° |
| N55 | C50 | C49 | O48 | 2.5° | 153.1° |
| N55 | C50 | C49 | O63 | 178.3° | 27.0° |
| N55 | C50 | C51 | H512 | 168.2° | 66.2° |
| N55 | C50 | C51 | H511 | 73.0° | 173.4° |
| C50 | N55 | C54 | H541 | 169.1° | 172.6° |
| C50 | N55 | C54 | H542 | 71.6° | 66.8° |
| C54 | C53 | C52 | H532 | 120.1° | 119.9° |
| C54 | C53 | C52 | H531 | 120.1° | 120.1° |
| C54 | C53 | C52 | C51 | 57.9° | 62.0° |
| C54 | C53 | C52 | H521 | 178.1° | 177.8° |
| C54 | C53 | C52 | H522 | 62.3° | 58.1° |
| C54 | C53 | H532 | H531 | 119.8° | 120.1° |
| C53 | C54 | H541 | H542 | 119.1° | 120.5° |
| C04 | C05 | C06 | H051 | 121.6° | 119.8° |
| C04 | C05 | C06 | C07 | 74.9° | 73.4° |
| C05 | C04 | C03 | H031 | 68.2° | 64.7° |
| C05 | C04 | C03 | H032 | 172.0° | 175.5° |
| C05 | C04 | H041 | H042 | 119.0° | 120.3° |
| C04 | C05 | C06 | H061 | 46.1° | 46.5° |
| C04 | C05 | C06 | H062 | 164.1° | 166.6° |
| C05 | C06 | C07 | O08 | 56.6° | 40.1° |
| C05 | C06 | C07 | H061 | 121.0° | 119.9° |
| C05 | C06 | C07 | H062 | 121.0° | 120.1° |
| C05 | C06 | C07 | C10 | 179.6° | 160.4° |
| C06 | C05 | C04 | H041 | 70.2° | 61.2° |
| C06 | C05 | C04 | H042 | 49.1° | 59.0° |
| C05 | C06 | H061 | H062 | 116.9° | 120.1° |
| C05 | C06 | C07 | H071 | 61.2° | 79.2° |
| C53 | C52 | C51 | C50 | 56.4° | 61.0° |
| C53 | C52 | C51 | H521 | 120.2° | 120.2° |
| C53 | C52 | C51 | H522 | 120.2° | 120.0° |
| C53 | C52 | C51 | H512 | 177.1° | 58.8° |
| C53 | C52 | C51 | H511 | 64.2° | 179.1° |
| C53 | C52 | H521 | H522 | 119.4° | 119.7° |
| C52 | C53 | H532 | H531 | 119.8° | 120.0° |
| C52 | C53 | C54 | H541 | 172.8° | 174.2° |
| C52 | C53 | C54 | H542 | 67.8° | 65.3° |
| C51 | C50 | C49 | H501 | 116.0° | 118.3° |
| C50 | C51 | C52 | H512 | 120.6° | 119.8° |
| C50 | C51 | C52 | H511 | 120.6° | 119.9° |
| C51 | C50 | C49 | O48 | 125.2° | 86.2° |
| C51 | C50 | C49 | O63 | 55.6° | 93.8° |
| C50 | C51 | H512 | H511 | 118.1° | 120.3° |
| C50 | C51 | C52 | H521 | 176.6° | 178.8° |
| C50 | C51 | C52 | H522 | 63.8° | 59.0° |
| C49 | C50 | C51 | C52 | 77.9° | 175.6° |
| C50 | C49 | O48 | O63 | 179.2° | 179.9° |
| C50 | C49 | O48 | C35 | 174.9° | 177.4° |
| C49 | C50 | C51 | H512 | 42.7° | 55.8° |
| C49 | C50 | C51 | H511 | 161.4° | 64.6° |
| C52 | C51 | C50 | H501 | 165.4° | 65.7° |
| C52 | C51 | H512 | H511 | 118.1° | 120.2° |
| C51 | C52 | H521 | H522 | 119.4° | 119.8° |
| C51 | C52 | C53 | H532 | 62.2° | 57.9° |
| C51 | C52 | C53 | H531 | 177.9° | 177.9° |
| C09 | O08 | C07 | C06 | 170.7° | 150.0° |
| C09 | O08 | C07 | C10 | 65.0° | 89.0° |
| C09 | O08 | C07 | H071 | 53.6° | 30.5° |
| O08 | C09 | H093 | H091 | 120.0° | 120.0° |
| O08 | C09 | H093 | H092 | 120.0° | 120.0° |
| O08 | C09 | H091 | H092 | 120.0° | 120.0° |
| O08 | C07 | C06 | C10 | 123.8° | 120.3° |
| O08 | C07 | C06 | H071 | 117.8° | 119.4° |
| O08 | C07 | C10 | H071 | 119.3° | 119.4° |
| O08 | C07 | C10 | C11 | 53.2° | 160.5° |
| O08 | C07 | C10 | C12 | 129.3° | 19.5° |
| O08 | C07 | C06 | H061 | 177.6° | 160.1° |
| O08 | C07 | C06 | H062 | 64.4° | 79.9° |
| C07 | O08 | C09 | H093 | 180.0° | 60.0° |
| C07 | O08 | C09 | H091 | 60.0° | 60.0° |
| C07 | O08 | C09 | H092 | 60.0° | 180.0° |
| C06 | C07 | C10 | H071 | 118.3° | 120.3° |
| C06 | C07 | C10 | C11 | 69.2° | 79.3° |
| C06 | C07 | C10 | C12 | 108.3° | 100.8° |
| C07 | C06 | C05 | H051 | 46.7° | 46.4° |
| C07 | C06 | H061 | H062 | 116.9° | 120.0° |
| C49 | O48 | C35 | C36 | 87.4° | 67.5° |
| C49 | O48 | C35 | C34 | 142.4° | 172.7° |
| C49 | O48 | C35 | H351 | 28.1° | 52.7° |
| O48 | C49 | C50 | H501 | 118.8° | 32.2° |
| O63 | C49 | O48 | C35 | 5.9° | 2.7° |
| O63 | C49 | C50 | H501 | 60.4° | 147.9° |
| O48 | C35 | C36 | C47 | 71.1° | 65.9° |
| O48 | C35 | C36 | C34 | 126.8° | 119.6° |
| O48 | C35 | C36 | H351 | 116.6° | 120.2° |
| O48 | C35 | C34 | H351 | 115.5° | 119.9° |
| O48 | C35 | C36 | C37 | 166.4° | 174.1° |
| O48 | C35 | C34 | C33 | 92.4° | 163.5° |
| O48 | C35 | C34 | H341 | 28.7° | 76.4° |
| O48 | C35 | C34 | H342 | 146.4° | 43.5° |
| O48 | C35 | C36 | H361 | 47.8° | 54.1° |
| C07 | C10 | C11 | C12 | 177.7° | 179.9° |
| C07 | C10 | C12 | C13 | 178.6° | 179.0° |
| C07 | C10 | C11 | H113 | 180.0° | 90.0° |
| C07 | C10 | C11 | H111 | 60.0° | 150.0° |
| C07 | C10 | C11 | H112 | 60.0° | 30.0° |
| C10 | C07 | C06 | H061 | 58.6° | 79.6° |
| C10 | C07 | C06 | H062 | 59.4° | 40.4° |
| C07 | C10 | C12 | H121 | 1.4° | 0.0° |
| C45 | O44 | C43 | C46 | 98.3° | 150.0° |
| C45 | O44 | C43 | C41 | 143.3° | 90.0° |
| C45 | O44 | C43 | H431 | 22.5° | 30.0° |
| O44 | C45 | H452 | H451 | 120.0° | 120.0° |
| O44 | C45 | H452 | H453 | 120.0° | 120.0° |
| O44 | C45 | H451 | H453 | 120.0° | 120.0° |
| C47 | C36 | C35 | C37 | 122.6° | 120.0° |
| C47 | C36 | C35 | H361 | 118.9° | 120.0° |
| C47 | C36 | C35 | C34 | 55.8° | 53.7° |
| C47 | C36 | C37 | H361 | 118.9° | 120.0° |
| C47 | C36 | C37 | C38 | 80.6° | 78.7° |
| C47 | C36 | C35 | H351 | 172.3° | 173.9° |
| C47 | C36 | C37 | H371 | 157.7° | 161.3° |
| C47 | C36 | C37 | H372 | 41.2° | 41.4° |
| C36 | C47 | H471 | H472 | 120.0° | 120.0° |
| C36 | C47 | H471 | H473 | 120.0° | 120.0° |
| C36 | C47 | H472 | H473 | 120.0° | 120.0° |
| C11 | C10 | C12 | C13 | 1.0° | 0.9° |
| C10 | C11 | H113 | H111 | 120.0° | 120.0° |
| C10 | C11 | H113 | H112 | 120.0° | 120.1° |
| C10 | C11 | H111 | H112 | 120.0° | 120.0° |
| C11 | C10 | C07 | H071 | 172.5° | 41.1° |
| C11 | C10 | C12 | H121 | 179.0° | 180.0° |
| C36 | C35 | C34 | H351 | 116.5° | 120.2° |
| C35 | C36 | C37 | H361 | 119.0° | 120.0° |
| C36 | C35 | C34 | C33 | 139.5° | 76.6° |
| C35 | C36 | C37 | C38 | 157.4° | 161.3° |
| C36 | C35 | C34 | H341 | 99.3° | 43.5° |
| C36 | C35 | C34 | H342 | 18.4° | 163.4° |
| C35 | C36 | C37 | H371 | 35.6° | 41.2° |
| C35 | C36 | C37 | H372 | 80.9° | 78.7° |
| C35 | C36 | C47 | H471 | 180.0° | 53.4° |
| C35 | C36 | C47 | H472 | 60.0° | 66.6° |
| C35 | C36 | C47 | H473 | 60.0° | 173.4° |
| C34 | C35 | C36 | C37 | 66.8° | 66.3° |
| C35 | C34 | C33 | H341 | 121.2° | 120.1° |
| C35 | C34 | C33 | H342 | 121.1° | 120.0° |
| C35 | C34 | C33 | N64 | 15.0° | 10.3° |
| C35 | C34 | C33 | C31 | 154.3° | 169.7° |
| C35 | C34 | H341 | H342 | 116.3° | 119.9° |
| C34 | C35 | C36 | H361 | 174.6° | 173.7° |
| C36 | C37 | C38 | C46 | 42.0° | 177.6° |
| C36 | C37 | C38 | H371 | 121.8° | 120.1° |
| C36 | C37 | C38 | H372 | 121.8° | 120.0° |
| C36 | C37 | C38 | C39 | 164.0° | 57.6° |
| C37 | C36 | C35 | H351 | 49.7° | 53.9° |
| C36 | C37 | H371 | H372 | 114.3° | 119.9° |
| C36 | C37 | C38 | H381 | 79.4° | 62.4° |
| C37 | C36 | C47 | H471 | 56.7° | 66.6° |
| C37 | C36 | C47 | H472 | 63.3° | 173.4° |
| C37 | C36 | C47 | H473 | 176.7° | 53.3° |
| C10 | C12 | C13 | H121 | 180.0° | 179.1° |
| C10 | C12 | C13 | C14 | 178.0° | 137.0° |
| C12 | C10 | C11 | H113 | 2.3° | 90.0° |
| C12 | C10 | C11 | H111 | 117.7° | 30.0° |
| C12 | C10 | C11 | H112 | 122.3° | 149.9° |
| C10 | C12 | C13 | H131 | 2.0° | 46.0° |
| C12 | C10 | C07 | H071 | 10.0° | 138.9° |
| O44 | C43 | C46 | C41 | 118.7° | 120.0° |
| O44 | C43 | C46 | H431 | 122.1° | 120.0° |
| O44 | C43 | C46 | C38 | 176.4° | 180.0° |
| O44 | C43 | C41 | H431 | 122.1° | 120.0° |
| O44 | C43 | C41 | O42 | 66.3° | 60.0° |
| O44 | C43 | C41 | C40 | 175.4° | 180.0° |
| O44 | C43 | C41 | H411 | 55.2° | 60.0° |
| C43 | O44 | C45 | H452 | 180.0° | 60.0° |
| C43 | O44 | C45 | H451 | 60.0° | 60.0° |
| C43 | O44 | C45 | H453 | 60.0° | 180.0° |
| O44 | C43 | C46 | H462 | 63.3° | 60.0° |
| O44 | C43 | C46 | H461 | 56.1° | 60.0° |
| C34 | C33 | N64 | C31 | 168.9° | 180.0° |
| C34 | C33 | N64 | O65 | 174.5° | 127.3° |
| C34 | C33 | C31 | C32 | 144.3° | 13.4° |
| C34 | C33 | C31 | C30 | 90.3° | 133.3° |
| C34 | C33 | C31 | H311 | 25.3° | 106.7° |
| C33 | C34 | H341 | H342 | 116.4° | 119.9° |
| C33 | C34 | C35 | H351 | 23.1° | 43.6° |
| C43 | C46 | C38 | H462 | 120.3° | 120.0° |
| C43 | C46 | C38 | H461 | 120.3° | 120.0° |
| C46 | C43 | C41 | H431 | 119.3° | 120.0° |
| C43 | C46 | C38 | C37 | 173.4° | 180.0° |
| C43 | C46 | C38 | C39 | 62.3° | 60.0° |
| C46 | C43 | C41 | O42 | 175.0° | 180.0° |
| C46 | C43 | C41 | C40 | 56.8° | 60.0° |
| C43 | C46 | C38 | H381 | 52.1° | 60.0° |
| C46 | C43 | C41 | H411 | 63.5° | 60.0° |
| C43 | C46 | H462 | H461 | 119.2° | 120.0° |
| C38 | C46 | C43 | C41 | 65.0° | 60.0° |
| C46 | C38 | C37 | C39 | 122.0° | 120.1° |
| C46 | C38 | C37 | H381 | 121.4° | 120.0° |
| C46 | C38 | C39 | H381 | 114.6° | 120.0° |
| C46 | C38 | C39 | C40 | 56.3° | 59.9° |
| C46 | C38 | C37 | H371 | 79.7° | 62.3° |
| C46 | C38 | C37 | H372 | 163.8° | 57.6° |
| C46 | C38 | C39 | H392 | 64.3° | 60.0° |
| C46 | C38 | C39 | H391 | 176.9° | 180.0° |
| C38 | C46 | C43 | H431 | 54.3° | 60.0° |
| C38 | C46 | H462 | H461 | 119.1° | 120.0° |
| C33 | N64 | O65 | C66 | 140.1° | 174.5° |
| N64 | C33 | C31 | C32 | 47.6° | 166.6° |
| N64 | C33 | C31 | C30 | 77.9° | 46.7° |
| N64 | C33 | C31 | H311 | 166.5° | 73.3° |
| N64 | C33 | C34 | H341 | 106.2° | 130.4° |
| N64 | C33 | C34 | H342 | 136.1° | 109.6° |
| N64 | O65 | C66 | C67 | 90.7° | 169.4° |
| O65 | N64 | C33 | C31 | 5.6° | 52.7° |
| N64 | O65 | C66 | H662 | 29.2° | 70.6° |
| N64 | O65 | C66 | H661 | 149.4° | 49.4° |
| C12 | C13 | C14 | H131 | 180.0° | 176.5° |
| C12 | C13 | C14 | C15 | 176.8° | 97.3° |
| C12 | C13 | C14 | H141 | 3.2° | 83.3° |
| C43 | C41 | O42 | C40 | 118.2° | 120.0° |
| C43 | C41 | O42 | H411 | 120.2° | 120.1° |
| C43 | C41 | C40 | H411 | 120.2° | 120.0° |
| C43 | C41 | C40 | C39 | 52.5° | 60.0° |
| C43 | C41 | C40 | H402 | 68.0° | 180.0° |
| C43 | C41 | C40 | H401 | 173.0° | 59.9° |
| C41 | C43 | C46 | H462 | 55.3° | 180.0° |
| C41 | C43 | C46 | H461 | 174.8° | 60.0° |
| C43 | C41 | O42 | H421 | 180.0° | 180.0° |
| C67 | C66 | O65 | H662 | 119.9° | 120.1° |
| C67 | C66 | O65 | H661 | 119.9° | 120.0° |
| C67 | C66 | H662 | H661 | 120.3° | 120.0° |
| C66 | C67 | H671 | H672 | 120.0° | 120.0° |
| C66 | C67 | H671 | H673 | 120.0° | 120.0° |
| C66 | C67 | H672 | H673 | 120.0° | 120.0° |
| C33 | C31 | C32 | C30 | 119.9° | 119.7° |
| C33 | C31 | C32 | H311 | 118.8° | 120.2° |
| C33 | C31 | C30 | H311 | 115.5° | 120.0° |
| C33 | C31 | C30 | C28 | 100.5° | 89.1° |
| C33 | C31 | C30 | H301 | 79.5° | 90.8° |
| C33 | C31 | C32 | H323 | 180.0° | 59.7° |
| C33 | C31 | C32 | H322 | 60.0° | 60.2° |
| C33 | C31 | C32 | H321 | 60.0° | 179.7° |
| C31 | C33 | C34 | H341 | 84.6° | 49.6° |
| C31 | C33 | C34 | H342 | 33.1° | 70.4° |
| C37 | C38 | C39 | H381 | 116.8° | 120.0° |
| C37 | C38 | C39 | C40 | 175.0° | 180.0° |
| C38 | C37 | C36 | H361 | 38.4° | 41.3° |
| C38 | C37 | H371 | H372 | 114.3° | 120.0° |
| C37 | C38 | C39 | H392 | 64.4° | 60.1° |
| C37 | C38 | C39 | H391 | 54.5° | 60.0° |
| C37 | C38 | C46 | H462 | 66.2° | 60.0° |
| C37 | C38 | C46 | H461 | 53.2° | 60.1° |
| C38 | C39 | C40 | C41 | 53.6° | 59.9° |
| C38 | C39 | C40 | H392 | 120.6° | 119.9° |
| C38 | C39 | C40 | H391 | 120.6° | 120.0° |
| C39 | C38 | C37 | H371 | 42.3° | 177.6° |
| C39 | C38 | C37 | H372 | 74.2° | 62.5° |
| C38 | C39 | H392 | H391 | 118.3° | 120.0° |
| C38 | C39 | C40 | H402 | 66.9° | 180.0° |
| C38 | C39 | C40 | H401 | 174.1° | 60.0° |
| C39 | C38 | C46 | H462 | 58.0° | 180.0° |
| C39 | C38 | C46 | H461 | 177.4° | 60.0° |
| O65 | C66 | H662 | H661 | 120.3° | 120.0° |
| O65 | C66 | C67 | H671 | 180.0° | 148.4° |
| O65 | C66 | C67 | H672 | 60.0° | 91.6° |
| O65 | C66 | C67 | H673 | 60.0° | 28.5° |
| C13 | C14 | C15 | H141 | 180.0° | 179.4° |
| C13 | C14 | C15 | C16 | 172.9° | 177.3° |
| C13 | C14 | C15 | H151 | 7.1° | 2.2° |
| C14 | C13 | C12 | H121 | 2.0° | 44.0° |
| C32 | C31 | C30 | H311 | 121.2° | 120.1° |
| C32 | C31 | C30 | C28 | 136.2° | 151.0° |
| C32 | C31 | C30 | H301 | 43.8° | 29.1° |
| C31 | C32 | H323 | H322 | 120.0° | 120.0° |
| C31 | C32 | H323 | H321 | 120.0° | 120.0° |
| C31 | C32 | H322 | H321 | 120.0° | 120.1° |
| C31 | C30 | C28 | H301 | 180.0° | 179.9° |
| C31 | C30 | C28 | C29 | 6.0° | 0.3° |
| C31 | C30 | C28 | C26 | 174.1° | 179.5° |
| C30 | C31 | C32 | H323 | 60.0° | 60.0° |
| C30 | C31 | C32 | H322 | 60.0° | 180.0° |
| C30 | C31 | C32 | H321 | 179.9° | 60.0° |
| O42 | C41 | C40 | H411 | 122.8° | 120.0° |
| O42 | C41 | C40 | C39 | 169.4° | 180.0° |
| O42 | C41 | C40 | H402 | 48.9° | 60.0° |
| O42 | C41 | C40 | H401 | 70.0° | 60.1° |
| O42 | C41 | C43 | H431 | 55.8° | 60.0° |
| C41 | C40 | C39 | H402 | 120.5° | 120.0° |
| C41 | C40 | C39 | H401 | 120.6° | 120.0° |
| C41 | C40 | C39 | H392 | 67.0° | 60.0° |
| C41 | C40 | C39 | H391 | 174.2° | 180.0° |
| C41 | C40 | H402 | H401 | 118.4° | 120.0° |
| C40 | C41 | C43 | H431 | 62.5° | 60.0° |
| C40 | C41 | O42 | H421 | 61.7° | 60.0° |
| C40 | C39 | C38 | H381 | 58.3° | 60.0° |
| C40 | C39 | H392 | H391 | 118.2° | 120.1° |
| C39 | C40 | H402 | H401 | 118.4° | 119.9° |
| C39 | C40 | C41 | H411 | 67.8° | 60.0° |
| C14 | C15 | C16 | H151 | 180.0° | 179.5° |
| C14 | C15 | C16 | C17 | 175.7° | 179.0° |
| C15 | C14 | C13 | H131 | 3.2° | 79.2° |
| C14 | C15 | C16 | H161 | 4.3° | 1.2° |
| C30 | C28 | C29 | C26 | 179.9° | 179.8° |
| C30 | C28 | C26 | O27 | 5.0° | 98.6° |
| C30 | C28 | C26 | C23 | 113.0° | 141.5° |
| C30 | C28 | C26 | H261 | 125.0° | 21.5° |
| C30 | C28 | C29 | H292 | 180.0° | 126.4° |
| C30 | C28 | C29 | H293 | 60.0° | 6.5° |
| C30 | C28 | C29 | H291 | 60.0° | 113.5° |
| C28 | C30 | C31 | H311 | 15.0° | 30.9° |
| C29 | C28 | C26 | O27 | 175.1° | 81.6° |
| C29 | C28 | C26 | C23 | 66.9° | 38.4° |
| C29 | C28 | C26 | H261 | 55.1° | 158.3° |
| C28 | C29 | H292 | H293 | 120.0° | 119.9° |
| C28 | C29 | H292 | H291 | 120.0° | 120.1° |
| C28 | C29 | H293 | H291 | 120.0° | 120.0° |
| C29 | C28 | C30 | H301 | 174.0° | 179.8° |
| C28 | C26 | O27 | C23 | 124.9° | 119.9° |
| C28 | C26 | O27 | H261 | 119.2° | 120.1° |
| C28 | C26 | C23 | H261 | 122.1° | 120.0° |
| C28 | C26 | C23 | C22 | 66.1° | 123.9° |
| C28 | C26 | C23 | O24 | 169.7° | 3.8° |
| C28 | C26 | C23 | H231 | 51.8° | 116.1° |
| C26 | C28 | C29 | H292 | 0.1° | 53.7° |
| C26 | C28 | C29 | H293 | 119.9° | 173.7° |
| C26 | C28 | C29 | H291 | 120.1° | 66.3° |
| C26 | C28 | C30 | H301 | 5.9° | 0.4° |
| C28 | C26 | O27 | H271 | 107.9° | 60.1° |
| C15 | C16 | C17 | H161 | 180.0° | 179.8° |
| C15 | C16 | C17 | C19 | 108.3° | 168.0° |
| C15 | C16 | C17 | C18 | 129.4° | 72.0° |
| C16 | C15 | C14 | H141 | 7.2° | 3.3° |
| C15 | C16 | C17 | H171 | 9.0° | 48.1° |
| O27 | C26 | C23 | H261 | 117.0° | 120.1° |
| O27 | C26 | C23 | C22 | 54.8° | 116.2° |
| O27 | C26 | C23 | O24 | 69.4° | 123.8° |
| O27 | C26 | C23 | H231 | 172.7° | 3.8° |
| C26 | C23 | C22 | O24 | 120.1° | 120.0° |
| C26 | C23 | C22 | H231 | 117.7° | 120.0° |
| C26 | C23 | O24 | H231 | 116.6° | 119.9° |
| C26 | C23 | C22 | C20 | 79.4° | 154.5° |
| C26 | C23 | C22 | O68 | 100.1° | 25.6° |
| C26 | C23 | O24 | C25 | 154.0° | 124.6° |
| C23 | C26 | O27 | H271 | 17.0° | 180.0° |
| C16 | C17 | C19 | C20 | 44.7° | 87.9° |
| C16 | C17 | C19 | C18 | 127.9° | 119.9° |
| C16 | C17 | C19 | H171 | 117.6° | 120.0° |
| C16 | C17 | C18 | H171 | 120.0° | 120.1° |
| C17 | C16 | C15 | H151 | 4.3° | 0.5° |
| C16 | C17 | C18 | H183 | 180.0° | 179.9° |
| C16 | C17 | C18 | H181 | 60.0° | 60.2° |
| C16 | C17 | C18 | H182 | 60.0° | 59.8° |
| C16 | C17 | C19 | H191 | 76.2° | 152.1° |
| C16 | C17 | C19 | H192 | 165.7° | 32.2° |
| C21 | C20 | C22 | C23 | 146.8° | 24.7° |
| C21 | C20 | C22 | C19 | 123.9° | 120.1° |
| C21 | C20 | C22 | H201 | 120.6° | 119.9° |
| C21 | C20 | C19 | H201 | 117.9° | 119.9° |
| C21 | C20 | C22 | O68 | 32.7° | 155.3° |
| C21 | C20 | C19 | C17 | 78.2° | 66.1° |
| C20 | C21 | H212 | H213 | 120.0° | 120.0° |
| C20 | C21 | H212 | H211 | 120.0° | 119.9° |
| C20 | C21 | H213 | H211 | 120.0° | 120.0° |
| C21 | C20 | C19 | H191 | 160.9° | 53.9° |
| C21 | C20 | C19 | H192 | 42.8° | 173.9° |
| C22 | C23 | O24 | H231 | 121.3° | 120.0° |
| C23 | C22 | C20 | O68 | 179.5° | 179.9° |
| C23 | C22 | C20 | C19 | 89.3° | 144.8° |
| C22 | C23 | O24 | C25 | 83.9° | 115.3° |
| C23 | C22 | C20 | H201 | 26.2° | 95.3° |
| C22 | C23 | C26 | H261 | 171.8° | 3.9° |
| O24 | C23 | C22 | C20 | 160.6° | 34.5° |
| O24 | C23 | C22 | O68 | 19.9° | 145.6° |
| C23 | O24 | C25 | H253 | 180.0° | 175.8° |
| C23 | O24 | C25 | H251 | 60.0° | 55.8° |
| C23 | O24 | C25 | H252 | 60.0° | 64.1° |
| O24 | C23 | C26 | H261 | 47.6° | 116.2° |
| C22 | C20 | C19 | H201 | 116.0° | 119.9° |
| C22 | C20 | C19 | C17 | 155.7° | 173.8° |
| C22 | C20 | C21 | H212 | 180.0° | 62.8° |
| C22 | C20 | C21 | H213 | 60.0° | 177.2° |
| C22 | C20 | C21 | H211 | 60.0° | 57.1° |
| C22 | C20 | C19 | H191 | 34.7° | 66.2° |
| C22 | C20 | C19 | H192 | 83.4° | 53.7° |
| C20 | C22 | C23 | H231 | 38.3° | 85.5° |
| C19 | C20 | C22 | O68 | 91.3° | 35.1° |
| C20 | C19 | C17 | H191 | 121.0° | 120.0° |
| C20 | C19 | C17 | H192 | 121.0° | 120.1° |
| C20 | C19 | C17 | C18 | 172.6° | 152.2° |
| C20 | C19 | C17 | H171 | 72.9° | 32.1° |
| C19 | C20 | C21 | H212 | 57.6° | 176.9° |
| C19 | C20 | C21 | H213 | 62.4° | 56.9° |
| C19 | C20 | C21 | H211 | 177.6° | 63.2° |
| C20 | C19 | H191 | H192 | 117.0° | 120.0° |
| O68 | C22 | C20 | H201 | 153.3° | 84.8° |
| O68 | C22 | C23 | H231 | 142.2° | 94.4° |
| C19 | C17 | C18 | H171 | 113.6° | 120.1° |
| C19 | C17 | C18 | H183 | 53.6° | 60.0° |
| C19 | C17 | C18 | H181 | 173.7° | 180.0° |
| C19 | C17 | C18 | H182 | 66.4° | 60.0° |
| C19 | C17 | C16 | H161 | 71.7° | 12.2° |
| C17 | C19 | H191 | H192 | 117.0° | 119.9° |
| C17 | C19 | C20 | H201 | 39.7° | 53.8° |
| C17 | C18 | H183 | H181 | 120.0° | 119.9° |
| C17 | C18 | H183 | H182 | 120.0° | 120.0° |
| C17 | C18 | H181 | H182 | 120.0° | 120.0° |
| C18 | C17 | C16 | H161 | 50.6° | 107.7° |
| C18 | C17 | C19 | H191 | 51.7° | 32.2° |
| C18 | C17 | C19 | H192 | 66.4° | 87.7° |
| C25 | O24 | C23 | H231 | 37.4° | 4.7° |
| O24 | C25 | H253 | H251 | 120.0° | 120.0° |
| O24 | C25 | H253 | H252 | 120.0° | 120.0° |
| O24 | C25 | H251 | H252 | 120.0° | 120.0° |
| H113 | C11 | H111 | H112 | 120.0° | 120.0° |
| H131 | C13 | C14 | H141 | 176.8° | 100.2° |
| H131 | C13 | C12 | H121 | 178.0° | 133.0° |
| H141 | C14 | C15 | H151 | 172.8° | 177.2° |
| H151 | C15 | C16 | H161 | 175.7° | 179.3° |
| H171 | C17 | C18 | H183 | 60.0° | 60.0° |
| H171 | C17 | C18 | H181 | 60.1° | 59.9° |
| H171 | C17 | C18 | H182 | 180.0° | 179.9° |
| H171 | C17 | C16 | H161 | 171.0° | 132.2° |
| H171 | C17 | C19 | H191 | 166.1° | 87.9° |
| H171 | C17 | C19 | H192 | 48.1° | 152.2° |
| H183 | C18 | H181 | H182 | 120.0° | 120.1° |
| H212 | C21 | H213 | H211 | 120.0° | 120.0° |
| H212 | C21 | C20 | H201 | 59.6° | 57.1° |
| H213 | C21 | C20 | H201 | 179.6° | 63.0° |
| H211 | C21 | C20 | H201 | 60.4° | 177.0° |
| H012 | C01 | H011 | H013 | 120.0° | 120.0° |
| H012 | C01 | C02 | H021 | 60.4° | 179.4° |
| H011 | C01 | C02 | H021 | 179.6° | 60.6° |
| H013 | C01 | C02 | H021 | 59.6° | 59.4° |
| H021 | C02 | C03 | H031 | 173.7° | 174.6° |
| H021 | C02 | C03 | H032 | 54.0° | 54.8° |
| H031 | C03 | C04 | H041 | 52.1° | 55.2° |
| H031 | C03 | C04 | H042 | 171.4° | 175.4° |
| H032 | C03 | C04 | H041 | 67.6° | 64.6° |
| H032 | C03 | C04 | H042 | 51.7° | 55.6° |
| H041 | C04 | C05 | H051 | 51.1° | 58.3° |
| H042 | C04 | C05 | H051 | 170.5° | 178.6° |
| H051 | C05 | C06 | H061 | 167.7° | 166.3° |
| H051 | C05 | C06 | H062 | 74.3° | 73.7° |
| H061 | C06 | C07 | H071 | 59.8° | 40.7° |
| H062 | C06 | C07 | H071 | 177.8° | 160.7° |
| H093 | C09 | H091 | H092 | 120.0° | 120.0° |
| H191 | C19 | C20 | H201 | 81.3° | 173.8° |
| H192 | C19 | C20 | H201 | 160.7° | 66.2° |
| H231 | C23 | C26 | H261 | 70.3° | 123.9° |
| H253 | C25 | H251 | H252 | 120.0° | 120.0° |
| H261 | C26 | O27 | H271 | 132.9° | 59.9° |
| H292 | C29 | H293 | H291 | 120.0° | 120.0° |
| H301 | C30 | C31 | H311 | 165.0° | 149.2° |
| H311 | C31 | C32 | H323 | 61.2° | 179.9° |
| H311 | C31 | C32 | H322 | 178.8° | 59.9° |
| H311 | C31 | C32 | H321 | 58.9° | 60.1° |
| H323 | C32 | H322 | H321 | 120.0° | 120.0° |
| H341 | C34 | C35 | H351 | 144.2° | 163.7° |
| H342 | C34 | C35 | H351 | 98.1° | 76.4° |
| H351 | C35 | C36 | H361 | 68.8° | 66.1° |
| H361 | C36 | C37 | H371 | 83.4° | 78.8° |
| H361 | C36 | C37 | H372 | 160.1° | 161.3° |
| H361 | C36 | C47 | H471 | 61.5° | 173.4° |
| H361 | C36 | C47 | H472 | 178.5° | 53.4° |
| H361 | C36 | C47 | H473 | 58.5° | 66.7° |
| H371 | C37 | C38 | H381 | 158.8° | 57.7° |
| H372 | C37 | C38 | H381 | 42.4° | 177.6° |
| H381 | C38 | C39 | H392 | 178.9° | 179.9° |
| H381 | C38 | C39 | H391 | 62.3° | 60.0° |
| H381 | C38 | C46 | H462 | 172.4° | 60.0° |
| H381 | C38 | C46 | H461 | 68.2° | 179.9° |
| H392 | C39 | C40 | H402 | 172.5° | 60.1° |
| H392 | C39 | C40 | H401 | 53.6° | 180.0° |
| H391 | C39 | C40 | H402 | 53.7° | 60.0° |
| H391 | C39 | C40 | H401 | 65.3° | 60.0° |
| H402 | C40 | C41 | H411 | 171.7° | 60.0° |
| H401 | C40 | C41 | H411 | 52.8° | 180.0° |
| H411 | C41 | C43 | H431 | 177.3° | 180.0° |
| H411 | C41 | O42 | H421 | 59.9° | 60.0° |
| H431 | C43 | C46 | H462 | 174.6° | 60.0° |
| H431 | C43 | C46 | H461 | 65.9° | 180.0° |
| H452 | C45 | H451 | H453 | 120.0° | 119.9° |
| H471 | C47 | H472 | H473 | 120.0° | 120.0° |
| H501 | C50 | C51 | H512 | 74.0° | 174.5° |
| H501 | C50 | C51 | H511 | 44.8° | 54.2° |
| H512 | C51 | C52 | H521 | 62.8° | 61.4° |
| H512 | C51 | C52 | H522 | 56.9° | 178.8° |
| H511 | C51 | C52 | H521 | 56.0° | 58.9° |
| H511 | C51 | C52 | H522 | 175.6° | 60.9° |
| H521 | C52 | C53 | H532 | 58.0° | 62.3° |
| H521 | C52 | C53 | H531 | 61.9° | 57.7° |
| H522 | C52 | C53 | H532 | 177.6° | 178.0° |
| H522 | C52 | C53 | H531 | 57.7° | 62.0° |
| H532 | C53 | C54 | H541 | 52.8° | 54.3° |
| H532 | C53 | C54 | H542 | 172.2° | 174.8° |
| H531 | C53 | C54 | H541 | 67.1° | 65.8° |
| H531 | C53 | C54 | H542 | 52.3° | 54.8° |
| H662 | C66 | C67 | H671 | 60.1° | 91.5° |
| H662 | C66 | C67 | H672 | 59.9° | 28.5° |
| H662 | C66 | C67 | H673 | 179.9° | 148.5° |
| H661 | C66 | C67 | H671 | 60.1° | 28.4° |
| H661 | C66 | C67 | H672 | 179.9° | 148.4° |
| H661 | C66 | C67 | H673 | 59.9° | 91.5° |
| H671 | C67 | H672 | H673 | 120.0° | 120.0° |
