JXD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C54 | C53 | sing | 1.51Å | 1.48Å | |
| C55 | C53 | sing | 1.51Å | 1.51Å | |
| C53 | C52 | doub | 1.31Å | 1.38Å | |
| C52 | C51 | sing | 1.51Å | 1.53Å | |
| C51 | C50 | sing | 1.53Å | 1.53Å | |
| C43 | C42 | sing | 1.53Å | 1.55Å | |
| C43 | C44 | sing | 1.51Å | 1.52Å | |
| C42 | C41 | sing | 1.51Å | 1.52Å | |
| C44 | C45 | doub | 1.31Å | 1.39Å | |
| C50 | C49 | sing | 1.51Å | 1.51Å | |
| C57 | C45 | sing | 1.51Å | 1.52Å | |
| C58 | C41 | sing | 1.51Å | 1.51Å | |
| C41 | C40 | doub | 1.31Å | 1.36Å | |
| C45 | C46 | sing | 1.51Å | 1.50Å | |
| C48 | C49 | doub | 1.31Å | 1.39Å | |
| C48 | C47 | sing | 1.51Å | 1.53Å | |
| C49 | C56 | sing | 1.51Å | 1.53Å | |
| C46 | C47 | sing | 1.53Å | 1.53Å | |
| C40 | C39 | sing | 1.51Å | 1.52Å | |
| C60 | C33 | sing | 1.51Å | 1.51Å | |
| C39 | C38 | sing | 1.53Å | 1.57Å | |
| O26 | P25 | doub | 1.48Å | 1.48Å | |
| C33 | C34 | sing | 1.51Å | 1.52Å | |
| C33 | C32 | doub | 1.31Å | 1.35Å | |
| C34 | C35 | sing | 1.53Å | 1.56Å | |
| O62 | P25 | sing | 1.61Å | 1.53Å | |
| C38 | C37 | sing | 1.51Å | 1.53Å | |
| P25 | O24 | sing | 1.61Å | 1.82Å | |
| P25 | O27 | sing | 1.61Å | 1.60Å | |
| C32 | C31 | sing | 1.51Å | 1.54Å | |
| C35 | C36 | sing | 1.51Å | 1.52Å | |
| C37 | C36 | doub | 1.31Å | 1.36Å | |
| C37 | C59 | sing | 1.51Å | 1.52Å | |
| O24 | C23 | sing | 1.43Å | 1.33Å | |
| O27 | P28 | sing | 1.61Å | 1.62Å | |
| O22 | C23 | sing | 1.43Å | 1.43Å | |
| O22 | C19 | sing | 1.43Å | 1.39Å | |
| C23 | C63 | sing | 1.53Å | 1.60Å | |
| C31 | O30 | sing | 1.43Å | 1.36Å | |
| C20 | O21 | sing | 1.43Å | 1.40Å | |
| C20 | C19 | sing | 1.53Å | 1.57Å | |
| C19 | C03 | sing | 1.53Å | 1.58Å | |
| O61 | P28 | doub | 1.48Å | 1.48Å | |
| P28 | O30 | sing | 1.61Å | 1.79Å | |
| P28 | O29 | sing | 1.61Å | 1.52Å | |
| O67 | C65 | doub | 1.21Å | 1.23Å | |
| C63 | N64 | sing | 1.46Å | 1.49Å | |
| C63 | C02 | sing | 1.53Å | 1.57Å | |
| C65 | N64 | sing | 1.35Å | 1.40Å | |
| C65 | C66 | sing | 1.51Å | 1.54Å | |
| C17 | C16 | sing | 1.51Å | 1.52Å | |
| C03 | C02 | sing | 1.53Å | 1.57Å | |
| C03 | O04 | sing | 1.43Å | 1.43Å | |
| C02 | O01 | sing | 1.43Å | 1.41Å | |
| O18 | C16 | doub | 1.21Å | 1.23Å | |
| C16 | N15 | sing | 1.35Å | 1.39Å | |
| O04 | C05 | sing | 1.43Å | 1.40Å | |
| N15 | C14 | sing | 1.47Å | 1.47Å | |
| C14 | C05 | sing | 1.53Å | 1.61Å | |
| C14 | C12 | sing | 1.53Å | 1.59Å | |
| C05 | O06 | sing | 1.43Å | 1.42Å | |
| O06 | C07 | sing | 1.43Å | 1.41Å | |
| C12 | O13 | sing | 1.43Å | 1.40Å | |
| C12 | C10 | sing | 1.53Å | 1.56Å | |
| C07 | C10 | sing | 1.53Å | 1.55Å | |
| C07 | C08 | sing | 1.53Å | 1.58Å | |
| C10 | O11 | sing | 1.43Å | 1.40Å | |
| O09 | C08 | sing | 1.43Å | 1.41Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.08Å | 1.08Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.08Å | 1.08Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C48 | H481 | sing | 1.08Å | 1.08Å | |
| C50 | H502 | 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 | 1.08Å | 1.08Å | |
| C54 | H543 | sing | 1.09Å | 1.10Å | |
| C54 | H541 | sing | 1.09Å | 1.10Å | |
| C54 | H542 | sing | 1.09Å | 1.10Å | |
| C55 | H553 | sing | 1.09Å | 1.10Å | |
| C55 | H551 | sing | 1.09Å | 1.10Å | |
| C55 | H552 | sing | 1.09Å | 1.10Å | |
| C56 | H561 | sing | 1.09Å | 1.10Å | |
| C56 | H563 | sing | 1.09Å | 1.10Å | |
| C56 | H562 | sing | 1.09Å | 1.10Å | |
| C57 | H573 | sing | 1.09Å | 1.10Å | |
| C57 | H571 | sing | 1.09Å | 1.10Å | |
| C57 | H572 | sing | 1.09Å | 1.10Å | |
| C58 | H582 | sing | 1.09Å | 1.10Å | |
| C58 | H581 | sing | 1.09Å | 1.10Å | |
| C58 | H583 | sing | 1.09Å | 1.10Å | |
| C59 | H593 | sing | 1.09Å | 1.10Å | |
| C59 | H592 | sing | 1.09Å | 1.10Å | |
| C59 | H591 | sing | 1.09Å | 1.10Å | |
| C60 | H602 | sing | 1.09Å | 1.10Å | |
| C60 | H601 | sing | 1.09Å | 1.10Å | |
| C60 | H603 | sing | 1.09Å | 1.10Å | |
| C63 | H631 | sing | 1.09Å | 1.10Å | |
| C66 | H663 | sing | 1.09Å | 1.10Å | |
| C66 | H662 | sing | 1.09Å | 1.10Å | |
| C66 | H661 | sing | 1.09Å | 1.10Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å | |
| N64 | H641 | sing | 0.97Å | 1.00Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| O09 | H091 | sing | 0.97Å | 0.95Å | |
| O11 | H111 | sing | 0.97Å | 0.95Å | |
| O13 | H131 | sing | 0.97Å | 0.95Å | |
| O21 | H211 | sing | 0.97Å | 0.95Å | |
| O29 | H1 | sing | 0.97Å | 0.95Å | |
| O62 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C54 | C53 | C55 | 109.5° | 120.0° |
| C54 | C53 | C52 | 131.8° | 120.0° |
| C53 | C54 | H543 | 109.5° | 109.5° |
| C53 | C54 | H541 | 109.4° | 109.5° |
| C53 | C54 | H542 | 109.5° | 109.5° |
| C55 | C53 | C52 | 118.7° | 120.0° |
| C53 | C55 | H553 | 109.5° | 109.5° |
| C53 | C55 | H551 | 109.5° | 109.5° |
| C53 | C55 | H552 | 109.5° | 109.5° |
| C53 | C52 | C51 | 116.0° | 120.0° |
| C53 | C52 | H521 | 122.0° | 120.0° |
| C52 | C51 | C50 | 114.4° | 109.5° |
| C52 | C51 | H512 | 108.2° | 109.4° |
| C52 | C51 | H511 | 108.2° | 109.4° |
| C51 | C52 | H521 | 122.0° | 120.0° |
| C51 | C50 | C49 | 125.2° | 109.4° |
| C51 | C50 | H502 | 105.4° | 109.5° |
| C51 | C50 | H501 | 105.4° | 109.5° |
| C50 | C51 | H512 | 108.2° | 109.5° |
| C50 | C51 | H511 | 108.2° | 109.5° |
| C42 | C43 | C44 | 116.7° | 109.4° |
| C43 | C42 | C41 | 120.6° | 109.4° |
| C43 | C42 | H422 | 106.6° | 109.5° |
| C43 | C42 | H421 | 106.6° | 109.5° |
| C42 | C43 | H431 | 107.6° | 109.5° |
| C42 | C43 | H432 | 107.6° | 109.5° |
| C43 | C44 | C45 | 119.3° | 120.0° |
| C44 | C43 | H431 | 107.6° | 109.5° |
| C44 | C43 | H432 | 107.6° | 109.5° |
| C43 | C44 | H441 | 120.3° | 120.1° |
| C42 | C41 | C58 | 116.3° | 120.0° |
| C42 | C41 | C40 | 123.2° | 120.0° |
| C41 | C42 | H422 | 106.6° | 109.4° |
| C41 | C42 | H421 | 106.6° | 109.4° |
| C44 | C45 | C57 | 118.9° | 120.0° |
| C44 | C45 | C46 | 131.5° | 120.0° |
| C45 | C44 | H441 | 120.4° | 120.0° |
| C50 | C49 | C48 | 131.8° | 120.0° |
| C50 | C49 | C56 | 110.7° | 120.0° |
| C49 | C50 | H502 | 105.4° | 109.5° |
| C49 | C50 | H501 | 105.4° | 109.5° |
| C57 | C45 | C46 | 109.7° | 120.0° |
| C45 | C57 | H573 | 109.5° | 109.5° |
| C45 | C57 | H571 | 109.5° | 109.5° |
| C45 | C57 | H572 | 109.5° | 109.5° |
| C58 | C41 | C40 | 120.5° | 120.0° |
| C41 | C58 | H582 | 109.5° | 109.4° |
| C41 | C58 | H581 | 109.5° | 109.5° |
| C41 | C58 | H583 | 109.5° | 109.5° |
| C41 | C40 | C39 | 128.8° | 120.0° |
| C41 | C40 | H401 | 115.6° | 120.0° |
| C45 | C46 | C47 | 130.7° | 109.4° |
| C45 | C46 | H461 | 104.0° | 109.5° |
| C45 | C46 | H462 | 104.0° | 109.5° |
| C49 | C48 | C47 | 118.9° | 120.0° |
| C48 | C49 | C56 | 117.5° | 120.0° |
| C49 | C48 | H481 | 120.6° | 120.0° |
| C48 | C47 | C46 | 116.3° | 109.5° |
| C48 | C47 | H471 | 107.7° | 109.5° |
| C48 | C47 | H472 | 107.7° | 109.4° |
| C47 | C48 | H481 | 120.5° | 120.0° |
| C49 | C56 | H561 | 109.5° | 109.5° |
| C49 | C56 | H563 | 109.5° | 109.5° |
| C49 | C56 | H562 | 109.4° | 109.4° |
| C47 | C46 | H461 | 103.9° | 109.4° |
| C47 | C46 | H462 | 103.9° | 109.5° |
| C46 | C47 | H471 | 107.7° | 109.5° |
| C46 | C47 | H472 | 107.7° | 109.5° |
| C40 | C39 | C38 | 119.9° | 109.5° |
| C40 | C39 | H391 | 106.8° | 109.5° |
| C40 | C39 | H392 | 106.8° | 109.5° |
| C39 | C40 | H401 | 115.6° | 120.0° |
| C60 | C33 | C34 | 117.7° | 120.0° |
| C60 | C33 | C32 | 120.6° | 120.0° |
| C33 | C60 | H602 | 109.5° | 109.5° |
| C33 | C60 | H601 | 109.4° | 109.5° |
| C33 | C60 | H603 | 109.4° | 109.5° |
| C39 | C38 | C37 | 120.1° | 109.5° |
| C39 | C38 | H381 | 106.8° | 109.4° |
| C39 | C38 | H382 | 106.8° | 109.4° |
| C38 | C39 | H391 | 106.8° | 109.5° |
| C38 | C39 | H392 | 106.8° | 109.5° |
| O26 | P25 | O62 | 123.0° | 109.5° |
| O26 | P25 | O24 | 103.5° | 109.5° |
| O26 | P25 | O27 | 112.1° | 109.4° |
| C34 | C33 | C32 | 121.7° | 120.0° |
| C33 | C34 | C35 | 118.1° | 109.5° |
| C33 | C34 | H342 | 107.3° | 109.5° |
| C33 | C34 | H341 | 107.3° | 109.5° |
| C33 | C32 | C31 | 126.4° | 120.0° |
| C33 | C32 | H321 | 116.8° | 120.0° |
| C34 | C35 | C36 | 120.9° | 109.5° |
| C35 | C34 | H342 | 107.3° | 109.4° |
| C35 | C34 | H341 | 107.3° | 109.5° |
| C34 | C35 | H351 | 106.6° | 109.4° |
| C34 | C35 | H352 | 106.6° | 109.4° |
| O62 | P25 | O24 | 96.3° | 109.5° |
| O62 | P25 | O27 | 106.4° | 109.4° |
| P25 | O62 | H2 | 109.5° | 114.0° |
| C38 | C37 | C36 | 122.9° | 120.0° |
| C38 | C37 | C59 | 116.2° | 120.0° |
| C37 | C38 | H381 | 106.8° | 109.5° |
| C37 | C38 | H382 | 106.8° | 109.5° |
| O24 | P25 | O27 | 114.8° | 109.5° |
| P25 | O24 | C23 | 126.5° | 123.0° |
| P25 | O27 | P28 | 136.5° | 134.0° |
| C32 | C31 | O30 | 116.5° | 109.5° |
| C32 | C31 | H312 | 107.7° | 109.5° |
| C32 | C31 | H311 | 107.7° | 109.5° |
| C31 | C32 | H321 | 116.8° | 120.0° |
| C35 | C36 | C37 | 127.5° | 120.0° |
| C36 | C35 | H351 | 106.6° | 109.5° |
| C36 | C35 | H352 | 106.6° | 109.5° |
| C35 | C36 | H361 | 116.2° | 120.0° |
| C36 | C37 | C59 | 120.9° | 120.0° |
| C37 | C36 | H361 | 116.3° | 120.0° |
| C37 | C59 | H593 | 109.5° | 109.5° |
| C37 | C59 | H592 | 109.5° | 109.5° |
| C37 | C59 | H591 | 109.5° | 109.5° |
| O24 | C23 | O22 | 106.8° | 109.5° |
| O24 | C23 | C63 | 112.9° | 109.5° |
| O24 | C23 | H231 | 112.4° | 109.5° |
| O27 | P28 | O61 | 108.5° | 109.5° |
| O27 | P28 | O30 | 113.2° | 109.5° |
| O27 | P28 | O29 | 108.4° | 109.4° |
| C23 | O22 | C19 | 116.9° | 114.0° |
| O22 | C23 | C63 | 105.3° | 109.4° |
| O22 | C23 | H231 | 110.7° | 109.5° |
| O22 | C19 | C20 | 113.7° | 109.5° |
| O22 | C19 | C03 | 111.8° | 109.5° |
| O22 | C19 | H191 | 108.3° | 109.5° |
| C23 | C63 | N64 | 116.2° | 109.5° |
| C23 | C63 | C02 | 107.6° | 109.2° |
| C63 | C23 | H231 | 108.5° | 109.5° |
| C23 | C63 | H631 | 107.0° | 109.5° |
| C31 | O30 | P28 | 120.3° | 123.1° |
| O30 | C31 | H312 | 107.7° | 109.5° |
| O30 | C31 | H311 | 107.7° | 109.5° |
| O21 | C20 | C19 | 108.3° | 109.5° |
| O21 | C20 | H201 | 109.8° | 109.5° |
| O21 | C20 | H202 | 109.7° | 109.5° |
| C20 | O21 | H211 | 109.5° | 114.0° |
| C20 | C19 | C03 | 110.5° | 109.5° |
| C19 | C20 | H201 | 109.8° | 109.5° |
| C19 | C20 | H202 | 109.7° | 109.5° |
| C20 | C19 | H191 | 106.1° | 109.5° |
| C19 | C03 | C02 | 107.0° | 109.2° |
| C19 | C03 | O04 | 116.4° | 109.6° |
| C19 | C03 | H031 | 107.7° | 109.6° |
| C03 | C19 | H191 | 105.9° | 109.4° |
| O61 | P28 | O30 | 105.5° | 109.5° |
| O61 | P28 | O29 | 121.5° | 109.5° |
| O30 | P28 | O29 | 99.6° | 109.4° |
| P28 | O29 | H1 | 109.5° | 114.0° |
| O67 | C65 | N64 | 121.3° | 120.0° |
| O67 | C65 | C66 | 116.3° | 119.9° |
| N64 | C63 | C02 | 110.2° | 109.6° |
| C63 | N64 | C65 | 125.1° | 120.0° |
| N64 | C63 | H631 | 108.3° | 109.5° |
| C63 | N64 | H641 | 117.4° | 120.0° |
| C63 | C02 | C03 | 113.0° | 109.1° |
| C63 | C02 | O01 | 108.6° | 109.6° |
| C63 | C02 | H021 | 109.2° | 109.5° |
| C02 | C63 | H631 | 107.2° | 109.5° |
| N64 | C65 | C66 | 122.4° | 120.0° |
| C65 | N64 | H641 | 117.4° | 120.0° |
| C65 | C66 | H663 | 109.5° | 109.4° |
| C65 | C66 | H662 | 109.5° | 109.4° |
| C65 | C66 | H661 | 109.5° | 109.5° |
| C17 | C16 | O18 | 117.1° | 120.0° |
| C17 | C16 | N15 | 123.1° | 120.0° |
| C16 | C17 | H172 | 109.5° | 109.5° |
| C16 | C17 | H173 | 109.5° | 109.5° |
| C16 | C17 | H171 | 109.5° | 109.5° |
| C02 | C03 | O04 | 108.0° | 109.5° |
| C03 | C02 | O01 | 105.3° | 109.6° |
| C03 | C02 | H021 | 109.2° | 109.5° |
| C02 | C03 | H031 | 107.8° | 109.5° |
| C03 | O04 | C05 | 120.5° | 114.0° |
| O04 | C03 | H031 | 109.6° | 109.5° |
| O01 | C02 | H021 | 111.5° | 109.5° |
| C02 | O01 | H011 | 109.5° | 114.0° |
| O18 | C16 | N15 | 119.9° | 120.1° |
| C16 | N15 | C14 | 126.8° | 119.9° |
| C16 | N15 | H151 | 116.6° | 120.1° |
| O04 | C05 | C14 | 109.1° | 109.5° |
| O04 | C05 | O06 | 107.4° | 109.5° |
| O04 | C05 | H051 | 111.0° | 109.5° |
| N15 | C14 | C05 | 116.2° | 109.6° |
| N15 | C14 | C12 | 110.6° | 109.5° |
| N15 | C14 | H141 | 108.2° | 109.6° |
| C14 | N15 | H151 | 116.6° | 120.0° |
| C05 | C14 | C12 | 108.3° | 109.2° |
| C14 | C05 | O06 | 110.2° | 109.4° |
| C05 | C14 | H141 | 106.5° | 109.6° |
| C14 | C05 | H051 | 108.3° | 109.5° |
| C14 | C12 | O13 | 109.0° | 109.5° |
| C14 | C12 | C10 | 110.7° | 109.0° |
| C14 | C12 | H121 | 109.4° | 109.6° |
| C12 | C14 | H141 | 106.7° | 109.5° |
| C05 | O06 | C07 | 115.5° | 114.2° |
| O06 | C05 | H051 | 110.8° | 109.5° |
| O06 | C07 | C10 | 108.9° | 109.4° |
| O06 | C07 | C08 | 108.9° | 109.5° |
| O06 | C07 | H071 | 111.2° | 109.5° |
| O13 | C12 | C10 | 105.7° | 109.5° |
| O13 | C12 | H121 | 112.2° | 109.6° |
| C12 | O13 | H131 | 109.5° | 114.0° |
| C12 | C10 | C07 | 109.8° | 109.2° |
| C12 | C10 | O11 | 108.4° | 109.5° |
| C12 | C10 | H101 | 109.7° | 109.5° |
| C10 | C12 | H121 | 109.8° | 109.6° |
| C10 | C07 | C08 | 110.0° | 109.5° |
| C07 | C10 | O11 | 107.0° | 109.5° |
| C07 | C10 | H101 | 109.8° | 109.5° |
| C10 | C07 | H071 | 109.1° | 109.5° |
| C07 | C08 | O09 | 107.9° | 109.5° |
| C08 | C07 | H071 | 108.8° | 109.5° |
| C07 | C08 | H082 | 109.9° | 109.5° |
| C07 | C08 | H081 | 109.9° | 109.5° |
| O11 | C10 | H101 | 112.0° | 109.5° |
| C10 | O11 | H111 | 109.5° | 114.1° |
| O09 | C08 | H082 | 109.9° | 109.4° |
| O09 | C08 | H081 | 109.9° | 109.5° |
| C08 | O09 | H091 | 109.5° | 114.0° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H082 | C08 | H081 | 109.4° | 109.4° |
| H172 | C17 | H173 | 109.5° | 109.5° |
| H172 | C17 | H171 | 109.5° | 109.4° |
| H173 | C17 | H171 | 109.4° | 109.4° |
| H312 | C31 | H311 | 109.5° | 109.4° |
| H342 | C34 | H341 | 109.4° | 109.5° |
| H351 | C35 | H352 | 109.4° | 109.5° |
| H381 | C38 | H382 | 109.5° | 109.5° |
| H391 | C39 | H392 | 109.5° | 109.4° |
| H422 | C42 | H421 | 109.5° | 109.5° |
| H431 | C43 | H432 | 109.5° | 109.6° |
| H461 | C46 | H462 | 109.5° | 109.5° |
| H471 | C47 | H472 | 109.5° | 109.5° |
| H502 | C50 | H501 | 109.5° | 109.4° |
| H512 | C51 | H511 | 109.5° | 109.5° |
| H543 | C54 | H541 | 109.5° | 109.4° |
| H543 | C54 | H542 | 109.4° | 109.5° |
| H541 | C54 | H542 | 109.5° | 109.4° |
| H553 | C55 | H551 | 109.5° | 109.5° |
| H553 | C55 | H552 | 109.5° | 109.5° |
| H551 | C55 | H552 | 109.5° | 109.4° |
| H561 | C56 | H563 | 109.4° | 109.5° |
| H561 | C56 | H562 | 109.5° | 109.5° |
| H563 | C56 | H562 | 109.5° | 109.4° |
| H573 | C57 | H571 | 109.5° | 109.4° |
| H573 | C57 | H572 | 109.5° | 109.5° |
| H571 | C57 | H572 | 109.5° | 109.5° |
| H582 | C58 | H581 | 109.4° | 109.4° |
| H582 | C58 | H583 | 109.5° | 109.5° |
| H581 | C58 | H583 | 109.5° | 109.6° |
| H593 | C59 | H592 | 109.5° | 109.4° |
| H593 | C59 | H591 | 109.5° | 109.4° |
| H592 | C59 | H591 | 109.5° | 109.5° |
| H602 | C60 | H601 | 109.5° | 109.5° |
| H602 | C60 | H603 | 109.4° | 109.5° |
| H601 | C60 | H603 | 109.5° | 109.5° |
| H663 | C66 | H662 | 109.5° | 109.5° |
| H663 | C66 | H661 | 109.4° | 109.5° |
| H662 | C66 | H661 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C54 | C53 | C55 | C52 | 179.7° | 180.0° |
| C54 | C53 | C52 | C51 | 179.9° | 2.0° |
| C54 | C53 | C52 | H521 | 0.1° | 177.9° |
| C53 | C54 | H543 | H541 | 120.0° | 120.0° |
| C53 | C54 | H543 | H542 | 120.0° | 120.0° |
| C53 | C54 | H541 | H542 | 120.0° | 120.0° |
| C54 | C53 | C55 | H553 | 180.0° | 180.0° |
| C54 | C53 | C55 | H551 | 60.0° | 59.9° |
| C54 | C53 | C55 | H552 | 60.0° | 60.0° |
| C55 | C53 | C52 | C51 | 0.2° | 178.0° |
| C55 | C53 | C52 | H521 | 179.8° | 2.0° |
| C55 | C53 | C54 | H543 | 180.0° | 95.6° |
| C55 | C53 | C54 | H541 | 60.0° | 24.4° |
| C55 | C53 | C54 | H542 | 60.0° | 144.4° |
| C53 | C55 | H553 | H551 | 120.0° | 120.1° |
| C53 | C55 | H553 | H552 | 120.0° | 120.0° |
| C53 | C55 | H551 | H552 | 120.0° | 119.9° |
| C53 | C52 | C51 | H521 | 180.0° | 180.0° |
| C53 | C52 | C51 | C50 | 179.1° | 120.0° |
| C53 | C52 | C51 | H512 | 60.2° | 0.0° |
| C53 | C52 | C51 | H511 | 58.4° | 120.0° |
| C52 | C53 | C54 | H543 | 0.3° | 84.5° |
| C52 | C53 | C54 | H541 | 119.7° | 155.5° |
| C52 | C53 | C54 | H542 | 120.3° | 35.6° |
| C52 | C53 | C55 | H553 | 0.3° | 0.0° |
| C52 | C53 | C55 | H551 | 120.3° | 120.1° |
| C52 | C53 | C55 | H552 | 119.7° | 120.0° |
| C52 | C51 | C50 | H512 | 120.7° | 119.9° |
| C52 | C51 | C50 | H511 | 120.7° | 120.0° |
| C52 | C51 | C50 | C49 | 130.2° | 180.0° |
| C52 | C51 | C50 | H502 | 107.7° | 60.0° |
| C52 | C51 | C50 | H501 | 8.1° | 60.0° |
| C52 | C51 | H512 | H511 | 117.8° | 120.0° |
| C51 | C50 | C49 | H502 | 122.1° | 120.0° |
| C51 | C50 | C49 | H501 | 122.1° | 120.0° |
| C51 | C50 | C49 | C48 | 63.9° | 95.0° |
| C51 | C50 | C49 | C56 | 115.3° | 85.0° |
| C51 | C50 | H502 | H501 | 113.0° | 120.0° |
| C50 | C51 | H512 | H511 | 117.7° | 120.1° |
| C50 | C51 | C52 | H521 | 0.9° | 60.0° |
| C42 | C43 | C44 | H431 | 121.0° | 119.9° |
| C42 | C43 | C44 | H432 | 121.1° | 119.9° |
| C43 | C42 | C41 | H422 | 121.5° | 120.0° |
| C43 | C42 | C41 | H421 | 121.6° | 120.0° |
| C42 | C43 | C44 | C45 | 78.4° | 124.8° |
| C43 | C42 | C41 | C58 | 70.4° | 87.7° |
| C43 | C42 | C41 | C40 | 109.6° | 92.2° |
| C43 | C42 | H422 | H421 | 115.0° | 120.1° |
| C42 | C43 | H431 | H432 | 116.7° | 120.0° |
| C42 | C43 | C44 | H441 | 101.6° | 55.2° |
| C44 | C43 | C42 | C41 | 38.2° | 180.0° |
| C43 | C44 | C45 | H441 | 180.0° | 180.0° |
| C43 | C44 | C45 | C57 | 0.8° | 5.7° |
| C43 | C44 | C45 | C46 | 179.6° | 174.3° |
| C44 | C43 | C42 | H422 | 159.8° | 60.1° |
| C44 | C43 | C42 | H421 | 83.3° | 60.0° |
| C44 | C43 | H431 | H432 | 116.7° | 120.1° |
| C42 | C41 | C58 | C40 | 180.0° | 180.0° |
| C42 | C41 | C40 | C39 | 0.3° | 3.5° |
| C42 | C41 | C40 | H401 | 179.7° | 176.5° |
| C41 | C42 | H422 | H421 | 115.0° | 120.0° |
| C41 | C42 | C43 | H431 | 159.3° | 60.1° |
| C41 | C42 | C43 | H432 | 82.8° | 60.0° |
| C42 | C41 | C58 | H582 | 180.0° | 90.0° |
| C42 | C41 | C58 | H581 | 60.0° | 30.0° |
| C42 | C41 | C58 | H583 | 60.0° | 150.0° |
| C44 | C45 | C57 | C46 | 179.7° | 180.0° |
| C44 | C45 | C46 | C47 | 30.5° | 95.0° |
| C45 | C44 | C43 | H431 | 42.6° | 115.3° |
| C45 | C44 | C43 | H432 | 160.5° | 4.8° |
| C44 | C45 | C46 | H461 | 92.2° | 145.1° |
| C44 | C45 | C46 | H462 | 153.3° | 25.0° |
| C44 | C45 | C57 | H573 | 180.0° | 84.9° |
| C44 | C45 | C57 | H571 | 60.0° | 155.2° |
| C44 | C45 | C57 | H572 | 60.0° | 35.2° |
| C50 | C49 | C48 | C56 | 179.1° | 180.0° |
| C50 | C49 | C48 | C47 | 179.8° | 174.6° |
| C50 | C49 | C48 | H481 | 0.2° | 5.5° |
| C49 | C50 | H502 | H501 | 112.9° | 120.0° |
| C49 | C50 | C51 | H512 | 9.4° | 60.1° |
| C49 | C50 | C51 | H511 | 109.1° | 60.0° |
| C50 | C49 | C56 | H561 | 180.0° | 96.9° |
| C50 | C49 | C56 | H563 | 60.0° | 23.2° |
| C50 | C49 | C56 | H562 | 60.0° | 143.1° |
| C57 | C45 | C46 | C47 | 149.1° | 85.0° |
| C57 | C45 | C44 | H441 | 179.1° | 174.3° |
| C57 | C45 | C46 | H461 | 88.2° | 34.9° |
| C57 | C45 | C46 | H462 | 26.4° | 155.0° |
| C45 | C57 | H573 | H571 | 120.0° | 120.0° |
| C45 | C57 | H573 | H572 | 120.0° | 120.0° |
| C45 | C57 | H571 | H572 | 120.0° | 120.0° |
| C58 | C41 | C40 | C39 | 179.7° | 176.4° |
| C58 | C41 | C40 | H401 | 0.3° | 3.6° |
| C58 | C41 | C42 | H422 | 51.1° | 32.2° |
| C58 | C41 | C42 | H421 | 168.0° | 152.3° |
| C41 | C58 | H582 | H581 | 120.0° | 119.9° |
| C41 | C58 | H582 | H583 | 120.0° | 120.0° |
| C41 | C58 | H581 | H583 | 120.0° | 120.0° |
| C41 | C40 | C39 | H401 | 180.0° | 180.0° |
| C41 | C40 | C39 | C38 | 166.1° | 120.6° |
| C41 | C40 | C39 | H391 | 72.5° | 0.6° |
| C41 | C40 | C39 | H392 | 44.6° | 119.4° |
| C40 | C41 | C42 | H422 | 128.9° | 147.8° |
| C40 | C41 | C42 | H421 | 12.0° | 27.8° |
| C40 | C41 | C58 | H582 | 0.0° | 90.1° |
| C40 | C41 | C58 | H581 | 120.0° | 150.0° |
| C40 | C41 | C58 | H583 | 120.0° | 29.9° |
| C45 | C46 | C47 | C48 | 11.8° | 179.9° |
| C45 | C46 | C47 | H461 | 122.7° | 119.9° |
| C45 | C46 | C47 | H462 | 122.7° | 120.0° |
| C46 | C45 | C44 | H441 | 0.4° | 5.7° |
| C45 | C46 | H461 | H462 | 110.6° | 120.1° |
| C45 | C46 | C47 | H471 | 132.7° | 60.0° |
| C45 | C46 | C47 | H472 | 109.2° | 60.0° |
| C46 | C45 | C57 | H573 | 0.3° | 95.1° |
| C46 | C45 | C57 | H571 | 120.3° | 24.8° |
| C46 | C45 | C57 | H572 | 119.7° | 144.8° |
| C49 | C48 | C47 | H481 | 180.0° | 179.9° |
| C49 | C48 | C47 | C46 | 175.9° | 119.4° |
| C49 | C48 | C47 | H471 | 54.9° | 0.6° |
| C49 | C48 | C47 | H472 | 63.2° | 120.6° |
| C48 | C49 | C50 | H502 | 174.0° | 145.0° |
| C48 | C49 | C50 | H501 | 58.2° | 25.0° |
| C48 | C49 | C56 | H561 | 0.7° | 83.1° |
| C48 | C49 | C56 | H563 | 119.3° | 156.9° |
| C48 | C49 | C56 | H562 | 120.7° | 36.9° |
| C47 | C48 | C49 | C56 | 0.7° | 5.4° |
| C48 | C47 | C46 | H471 | 121.0° | 120.0° |
| C48 | C47 | C46 | H472 | 121.0° | 119.9° |
| C48 | C47 | C46 | H461 | 134.5° | 60.0° |
| C48 | C47 | C46 | H462 | 111.0° | 60.0° |
| C48 | C47 | H471 | H472 | 116.9° | 120.0° |
| C56 | C49 | C48 | H481 | 179.3° | 174.6° |
| C56 | C49 | C50 | H502 | 6.8° | 35.0° |
| C56 | C49 | C50 | H501 | 122.6° | 155.0° |
| C49 | C56 | H561 | H563 | 120.0° | 120.0° |
| C49 | C56 | H561 | H562 | 120.0° | 120.0° |
| C49 | C56 | H563 | H562 | 120.0° | 119.9° |
| C47 | C46 | H461 | H462 | 110.5° | 120.0° |
| C46 | C47 | H471 | H472 | 116.9° | 120.0° |
| C46 | C47 | C48 | H481 | 4.1° | 60.5° |
| C40 | C39 | C38 | H391 | 121.5° | 120.0° |
| C40 | C39 | C38 | H392 | 121.4° | 120.0° |
| C40 | C39 | C38 | C37 | 176.7° | NaN° |
| C40 | C39 | C38 | H381 | 55.3° | 60.0° |
| C40 | C39 | C38 | H382 | 61.7° | 60.0° |
| C40 | C39 | H391 | H392 | 115.3° | 120.0° |
| C60 | C33 | C34 | C32 | 179.7° | 180.0° |
| C60 | C33 | C34 | C35 | 85.3° | 85.1° |
| C60 | C33 | C32 | C31 | 179.9° | 176.0° |
| C60 | C33 | C32 | H321 | 0.1° | 4.0° |
| C60 | C33 | C34 | H342 | 153.5° | 34.8° |
| C60 | C33 | C34 | H341 | 36.0° | 154.9° |
| C33 | C60 | H602 | H601 | 120.0° | 120.0° |
| C33 | C60 | H602 | H603 | 120.0° | 120.0° |
| C33 | C60 | H601 | H603 | 120.0° | 120.0° |
| C39 | C38 | C37 | H381 | 121.5° | 120.0° |
| C39 | C38 | C37 | H382 | 121.5° | 120.0° |
| C39 | C38 | C37 | C36 | 87.7° | 94.1° |
| C39 | C38 | C37 | C59 | 92.3° | 85.8° |
| C39 | C38 | H381 | H382 | 115.2° | 120.0° |
| C38 | C39 | H391 | H392 | 115.3° | 120.0° |
| C38 | C39 | C40 | H401 | 13.9° | 59.4° |
| O26 | P25 | O62 | O24 | 110.6° | 120.0° |
| O26 | P25 | O62 | O27 | 131.2° | 120.0° |
| O26 | P25 | O24 | O27 | 122.5° | 120.0° |
| O26 | P25 | O24 | C23 | 37.2° | 55.0° |
| O26 | P25 | O27 | P28 | 174.6° | 40.0° |
| O26 | P25 | O62 | H2 | 0.0° | 180.0° |
| C33 | C34 | C35 | H342 | 121.3° | 120.0° |
| C33 | C34 | C35 | H341 | 121.2° | 120.0° |
| C34 | C33 | C32 | C31 | 0.2° | 3.9° |
| C33 | C34 | C35 | C36 | 172.4° | 180.0° |
| C34 | C33 | C32 | H321 | 179.8° | 176.0° |
| C33 | C34 | H342 | H341 | 116.1° | 120.0° |
| C33 | C34 | C35 | H351 | 66.0° | 60.0° |
| C33 | C34 | C35 | H352 | 50.8° | 59.9° |
| C34 | C33 | C60 | H602 | 180.0° | 90.0° |
| C34 | C33 | C60 | H601 | 60.0° | 150.0° |
| C34 | C33 | C60 | H603 | 60.0° | 30.0° |
| C32 | C33 | C34 | C35 | 94.4° | 94.9° |
| C33 | C32 | C31 | H321 | 180.0° | 180.0° |
| C33 | C32 | C31 | O30 | 156.8° | 135.8° |
| C33 | C32 | C31 | H312 | 82.2° | 104.2° |
| C33 | C32 | C31 | H311 | 35.8° | 15.7° |
| C32 | C33 | C34 | H342 | 26.8° | 145.1° |
| C32 | C33 | C34 | H341 | 144.4° | 25.1° |
| C32 | C33 | C60 | H602 | 0.3° | 90.0° |
| C32 | C33 | C60 | H601 | 119.7° | 30.0° |
| C32 | C33 | C60 | H603 | 120.3° | 150.0° |
| C34 | C35 | C36 | H351 | 121.6° | 120.0° |
| C34 | C35 | C36 | H352 | 121.6° | 120.0° |
| C34 | C35 | C36 | C37 | 138.6° | 120.0° |
| C35 | C34 | H342 | H341 | 116.1° | 120.0° |
| C34 | C35 | H351 | H352 | 114.8° | 119.9° |
| C34 | C35 | C36 | H361 | 41.4° | 59.9° |
| O62 | P25 | O24 | O27 | 111.3° | 120.0° |
| O62 | P25 | O24 | C23 | 163.4° | 65.0° |
| O62 | P25 | O27 | P28 | 48.3° | 80.0° |
| C38 | C37 | C36 | C35 | 0.0° | 2.4° |
| C38 | C37 | C36 | C59 | 179.9° | 180.0° |
| C38 | C37 | C36 | H361 | 180.0° | 177.6° |
| C37 | C38 | H381 | H382 | 115.2° | 120.0° |
| C37 | C38 | C39 | H391 | 61.8° | 60.0° |
| C37 | C38 | C39 | H392 | 55.3° | 60.0° |
| C38 | C37 | C59 | H593 | 180.0° | 90.0° |
| C38 | C37 | C59 | H592 | 60.0° | 30.0° |
| C38 | C37 | C59 | H591 | 60.0° | 150.0° |
| O24 | P25 | O27 | P28 | 56.9° | 160.0° |
| P25 | O24 | C23 | O22 | 146.8° | 90.1° |
| P25 | O24 | C23 | C63 | 97.9° | 150.0° |
| P25 | O24 | C23 | H231 | 25.3° | 30.0° |
| O24 | P25 | O62 | H2 | 110.6° | 60.0° |
| O27 | P25 | O24 | C23 | 85.3° | 175.0° |
| P25 | O27 | P28 | O61 | 36.4° | 45.0° |
| P25 | O27 | P28 | O30 | 153.1° | 165.0° |
| P25 | O27 | P28 | O29 | 97.4° | 75.0° |
| O27 | P25 | O62 | H2 | 131.2° | 60.0° |
| C32 | C31 | O30 | H312 | 121.0° | 120.0° |
| C32 | C31 | O30 | H311 | 121.0° | 120.1° |
| C32 | C31 | O30 | P28 | 84.6° | 180.0° |
| C32 | C31 | H312 | H311 | 116.8° | 120.0° |
| C35 | C36 | C37 | H361 | 180.0° | 179.9° |
| C35 | C36 | C37 | C59 | 179.9° | 177.6° |
| C36 | C35 | C34 | H342 | 51.1° | 60.0° |
| C36 | C35 | C34 | H341 | 66.4° | 60.0° |
| C36 | C35 | H351 | H352 | 114.9° | 120.1° |
| C37 | C36 | C35 | H351 | 17.0° | 0.0° |
| C37 | C36 | C35 | H352 | 99.8° | 120.0° |
| C36 | C37 | C38 | H381 | 150.8° | 145.9° |
| C36 | C37 | C38 | H382 | 33.8° | 25.9° |
| C36 | C37 | C59 | H593 | 0.1° | 90.0° |
| C36 | C37 | C59 | H592 | 119.9° | 150.0° |
| C36 | C37 | C59 | H591 | 120.1° | 29.9° |
| C59 | C37 | C36 | H361 | 0.1° | 2.5° |
| C59 | C37 | C38 | H381 | 29.2° | 34.1° |
| C59 | C37 | C38 | H382 | 146.2° | 154.2° |
| C37 | C59 | H593 | H592 | 120.0° | 120.0° |
| C37 | C59 | H593 | H591 | 120.0° | 120.0° |
| C37 | C59 | H592 | H591 | 120.0° | 120.1° |
| O24 | C23 | O22 | C63 | 120.3° | 120.0° |
| O24 | C23 | O22 | H231 | 122.6° | 120.0° |
| O24 | C23 | O22 | C19 | 53.3° | 58.8° |
| O24 | C23 | C63 | H231 | 125.3° | 120.0° |
| O24 | C23 | C63 | N64 | 66.5° | 57.5° |
| O24 | C23 | C63 | C02 | 57.4° | 62.5° |
| O24 | C23 | C63 | H631 | 172.4° | 177.6° |
| O27 | P28 | O30 | C31 | 58.5° | 175.0° |
| O27 | P28 | O61 | O30 | 121.6° | 120.1° |
| O27 | P28 | O61 | O29 | 126.5° | 120.0° |
| O27 | P28 | O30 | O29 | 114.8° | 120.0° |
| O27 | P28 | O29 | H1 | 126.6° | 60.0° |
| O22 | C23 | C63 | H231 | 118.6° | 120.0° |
| C23 | O22 | C19 | C20 | 169.6° | 178.8° |
| C23 | O22 | C19 | C03 | 64.4° | 61.2° |
| O22 | C23 | C63 | N64 | 177.3° | 177.5° |
| O22 | C23 | C63 | C02 | 58.7° | 57.6° |
| C23 | O22 | C19 | H191 | 51.9° | 58.8° |
| O22 | C23 | C63 | H631 | 56.2° | 62.4° |
| C19 | O22 | C23 | C63 | 67.0° | 61.2° |
| O22 | C19 | C20 | O21 | 50.5° | 66.5° |
| O22 | C19 | C20 | C03 | 126.7° | 120.0° |
| O22 | C19 | C20 | H191 | 118.9° | 120.0° |
| O22 | C19 | C03 | H191 | 117.7° | 120.0° |
| O22 | C19 | C03 | C02 | 50.7° | 57.6° |
| O22 | C19 | C03 | O04 | 171.4° | 177.5° |
| O22 | C19 | C20 | H201 | 170.3° | 173.5° |
| O22 | C19 | C20 | H202 | 69.3° | 53.5° |
| O22 | C19 | C03 | H031 | 65.0° | 62.3° |
| C19 | O22 | C23 | H231 | 175.9° | 178.8° |
| C23 | C63 | N64 | C02 | 122.6° | 119.7° |
| C23 | C63 | N64 | H631 | 120.4° | 120.1° |
| C23 | C63 | C02 | H631 | 114.8° | 119.9° |
| C23 | C63 | N64 | C65 | 87.7° | 85.0° |
| C23 | C63 | C02 | C03 | 55.9° | 56.9° |
| C23 | C63 | C02 | O01 | 172.4° | 176.9° |
| C23 | C63 | C02 | H021 | 65.8° | 63.0° |
| C23 | C63 | N64 | H641 | 92.3° | 95.0° |
| C31 | O30 | P28 | O61 | 60.0° | 55.0° |
| C31 | O30 | P28 | O29 | 173.3° | 65.0° |
| O30 | C31 | H312 | H311 | 116.8° | 120.0° |
| O30 | C31 | C32 | H321 | 23.2° | 44.2° |
| O21 | C20 | C19 | H201 | 119.8° | 120.0° |
| O21 | C20 | C19 | H202 | 119.8° | 120.0° |
| O21 | C20 | C19 | C03 | 76.2° | 173.5° |
| O21 | C20 | H201 | H202 | 120.5° | 120.0° |
| O21 | C20 | C19 | H191 | 169.4° | 53.6° |
| C20 | C19 | C03 | H191 | 114.5° | 120.0° |
| C20 | C19 | C03 | C02 | 178.4° | 177.6° |
| C20 | C19 | C03 | O04 | 60.8° | 62.5° |
| C19 | C20 | H201 | H202 | 120.5° | 120.0° |
| C20 | C19 | C03 | H031 | 62.7° | 57.7° |
| C19 | C20 | O21 | H211 | 180.0° | 180.0° |
| C19 | C03 | C02 | C63 | 49.9° | 56.9° |
| C19 | C03 | C02 | O04 | 126.0° | 120.0° |
| C19 | C03 | C02 | H031 | 115.6° | 119.9° |
| C19 | C03 | O04 | H031 | 122.5° | 120.2° |
| C19 | C03 | C02 | O01 | 168.3° | 176.8° |
| C19 | C03 | O04 | C05 | 133.1° | 107.6° |
| C03 | C19 | C20 | H201 | 43.6° | 53.5° |
| C03 | C19 | C20 | H202 | 164.0° | 66.5° |
| C19 | C03 | C02 | H021 | 71.8° | 63.0° |
| O61 | P28 | O30 | O29 | 126.7° | 120.0° |
| O61 | P28 | O29 | H1 | 0.0° | 180.0° |
| P28 | O30 | C31 | H312 | 36.4° | 59.9° |
| P28 | O30 | C31 | H311 | 154.4° | 60.0° |
| O30 | P28 | O29 | H1 | 114.9° | 60.0° |
| O67 | C65 | N64 | C63 | 0.2° | 0.0° |
| O67 | C65 | N64 | C66 | 179.8° | 180.0° |
| O67 | C65 | C66 | H663 | 0.0° | 180.0° |
| O67 | C65 | C66 | H662 | 120.0° | 60.0° |
| O67 | C65 | C66 | H661 | 120.0° | 60.0° |
| O67 | C65 | N64 | H641 | 179.7° | 180.0° |
| N64 | C63 | C02 | H631 | 117.7° | 120.1° |
| C63 | N64 | C65 | H641 | 180.0° | 180.0° |
| C63 | N64 | C65 | C66 | 179.9° | 180.0° |
| N64 | C63 | C02 | C03 | 176.5° | 176.8° |
| N64 | C63 | C02 | O01 | 60.1° | 63.2° |
| N64 | C63 | C02 | H021 | 61.7° | 57.0° |
| N64 | C63 | C23 | H231 | 58.7° | 62.5° |
| C02 | C63 | N64 | C65 | 149.7° | 155.3° |
| C63 | C02 | C03 | O01 | 118.4° | 120.0° |
| C63 | C02 | C03 | H021 | 121.7° | 119.9° |
| C63 | C02 | C03 | O04 | 175.9° | 176.8° |
| C63 | C02 | O01 | H021 | 120.3° | 120.2° |
| C63 | C02 | C03 | H031 | 65.7° | 63.1° |
| C02 | C63 | C23 | H231 | 177.3° | 177.5° |
| C02 | C63 | N64 | H641 | 30.3° | 24.7° |
| C63 | C02 | O01 | H011 | 180.0° | 60.1° |
| C65 | N64 | C63 | H631 | 32.7° | 35.1° |
| N64 | C65 | C66 | H663 | 179.8° | 0.0° |
| N64 | C65 | C66 | H662 | 60.2° | 120.0° |
| N64 | C65 | C66 | H661 | 59.8° | 120.0° |
| C65 | C66 | H663 | H662 | 120.0° | 120.0° |
| C65 | C66 | H663 | H661 | 120.0° | 119.9° |
| C65 | C66 | H662 | H661 | 120.0° | 120.0° |
| C66 | C65 | N64 | H641 | 0.1° | 0.0° |
| C17 | C16 | O18 | N15 | 180.0° | 180.0° |
| C17 | C16 | N15 | C14 | 0.1° | 180.0° |
| C16 | C17 | H172 | H173 | 120.0° | 120.0° |
| C16 | C17 | H172 | H171 | 120.0° | 120.0° |
| C16 | C17 | H173 | H171 | 120.0° | 120.0° |
| C17 | C16 | N15 | H151 | 179.9° | 0.0° |
| C02 | C03 | O04 | H031 | 117.2° | 120.1° |
| C03 | C02 | O01 | H021 | 118.4° | 120.1° |
| C02 | C03 | O04 | C05 | 106.6° | 132.7° |
| C02 | C03 | C19 | H191 | 67.1° | 62.4° |
| C03 | C02 | C63 | H631 | 58.9° | 63.1° |
| C03 | C02 | O01 | H011 | 58.7° | 179.8° |
| O04 | C03 | C02 | O01 | 65.7° | 63.2° |
| C03 | O04 | C05 | C14 | 122.7° | 171.4° |
| C03 | O04 | C05 | O06 | 117.8° | 68.7° |
| O04 | C03 | C02 | H021 | 54.2° | 56.9° |
| C03 | O04 | C05 | H051 | 3.5° | 51.4° |
| O04 | C03 | C19 | H191 | 53.7° | 57.5° |
| O01 | C02 | C03 | H031 | 52.6° | 56.9° |
| O01 | C02 | C63 | H631 | 57.6° | 56.9° |
| O18 | C16 | N15 | C14 | 180.0° | 0.0° |
| O18 | C16 | C17 | H172 | 0.0° | 120.0° |
| O18 | C16 | C17 | H173 | 120.0° | 0.0° |
| O18 | C16 | C17 | H171 | 120.0° | 120.0° |
| O18 | C16 | N15 | H151 | 0.0° | 180.0° |
| C16 | N15 | C14 | H151 | 180.0° | 180.0° |
| C16 | N15 | C14 | C05 | 132.6° | 85.0° |
| C16 | N15 | C14 | C12 | 103.4° | 155.3° |
| C16 | N15 | C14 | H141 | 13.0° | 35.2° |
| N15 | C16 | C17 | H172 | 180.0° | 60.0° |
| N15 | C16 | C17 | H173 | 60.0° | 180.0° |
| N15 | C16 | C17 | H171 | 59.9° | 60.0° |
| O04 | C05 | C14 | N15 | 44.8° | 57.7° |
| O04 | C05 | C14 | O06 | 117.7° | 120.0° |
| O04 | C05 | C14 | H051 | 121.0° | 120.0° |
| O04 | C05 | C14 | C12 | 169.9° | 177.6° |
| O04 | C05 | O06 | H051 | 121.5° | 120.0° |
| O04 | C05 | O06 | C07 | 178.7° | 178.9° |
| O04 | C05 | C14 | H141 | 75.7° | 62.5° |
| C05 | O04 | C03 | H031 | 10.6° | 12.7° |
| N15 | C14 | C05 | C12 | 125.1° | 119.9° |
| N15 | C14 | C05 | H141 | 120.5° | 120.3° |
| N15 | C14 | C12 | H141 | 117.4° | 120.2° |
| N15 | C14 | C05 | O06 | 72.9° | 62.3° |
| N15 | C14 | C12 | O13 | 37.6° | 56.9° |
| N15 | C14 | C12 | C10 | 78.3° | 62.9° |
| N15 | C14 | C12 | H121 | 160.5° | 177.1° |
| N15 | C14 | C05 | H051 | 165.7° | 177.7° |
| C05 | C14 | C12 | H141 | 114.3° | 119.9° |
| C14 | C05 | O06 | H051 | 119.8° | 120.0° |
| C14 | C05 | O06 | C07 | 62.6° | 61.2° |
| C05 | C14 | C12 | O13 | 165.9° | 176.8° |
| C05 | C14 | C12 | C10 | 50.0° | 57.0° |
| C05 | C14 | C12 | H121 | 71.1° | 62.9° |
| C05 | C14 | N15 | H151 | 47.3° | 95.0° |
| C12 | C14 | C05 | O06 | 52.1° | 57.6° |
| C14 | C12 | O13 | C10 | 119.1° | 119.5° |
| C14 | C12 | O13 | H121 | 121.3° | 120.3° |
| C14 | C12 | C10 | H121 | 120.9° | 120.0° |
| C14 | C12 | C10 | C07 | 53.7° | 57.0° |
| C14 | C12 | C10 | O11 | 170.4° | 176.9° |
| C14 | C12 | C10 | H101 | 67.0° | 63.0° |
| C12 | C14 | C05 | H051 | 69.2° | 62.4° |
| C12 | C14 | N15 | H151 | 76.6° | 24.7° |
| C14 | C12 | O13 | H131 | 180.0° | 179.5° |
| C05 | O06 | C07 | C10 | 65.2° | 61.1° |
| C05 | O06 | C07 | C08 | 174.9° | 178.9° |
| O06 | C05 | C14 | H141 | 166.6° | 177.5° |
| C05 | O06 | C07 | H071 | 55.0° | 58.9° |
| O06 | C07 | C10 | C12 | 58.5° | 57.5° |
| O06 | C07 | C10 | C08 | 119.2° | 120.0° |
| O06 | C07 | C10 | H071 | 121.5° | 120.0° |
| O06 | C07 | C08 | H071 | 121.3° | 120.0° |
| O06 | C07 | C10 | O11 | 175.9° | 177.5° |
| O06 | C07 | C08 | O09 | 47.0° | 65.1° |
| O06 | C07 | C10 | H101 | 62.3° | 62.4° |
| C07 | O06 | C05 | H051 | 57.2° | 58.8° |
| O06 | C07 | C08 | H082 | 166.8° | 174.9° |
| O06 | C07 | C08 | H081 | 72.8° | 55.0° |
| O13 | C12 | C10 | H121 | 121.2° | 120.2° |
| O13 | C12 | C10 | C07 | 171.6° | 176.8° |
| O13 | C12 | C10 | O11 | 71.8° | 63.3° |
| O13 | C12 | C10 | H101 | 50.9° | 56.9° |
| O13 | C12 | C14 | H141 | 79.8° | 63.3° |
| C12 | C10 | C07 | O11 | 117.5° | 119.9° |
| C12 | C10 | C07 | H101 | 120.7° | 119.9° |
| C12 | C10 | C07 | C08 | 177.7° | 177.5° |
| C12 | C10 | O11 | H101 | 121.2° | 120.1° |
| C10 | C12 | C14 | H141 | 164.3° | 176.9° |
| C12 | C10 | C07 | H071 | 63.1° | 62.4° |
| C12 | C10 | O11 | H111 | 180.0° | 179.9° |
| C10 | C12 | O13 | H131 | 60.9° | 60.0° |
| C10 | C07 | C08 | H071 | 119.4° | 120.1° |
| C07 | C10 | O11 | H101 | 120.4° | 120.1° |
| C10 | C07 | C08 | O09 | 166.3° | 175.0° |
| C07 | C10 | C12 | H121 | 67.2° | 63.0° |
| C10 | C07 | C08 | H082 | 74.0° | 55.0° |
| C10 | C07 | C08 | H081 | 46.5° | 65.0° |
| C07 | C10 | O11 | H111 | 61.6° | 60.1° |
| C08 | C07 | C10 | O11 | 64.8° | 62.5° |
| C07 | C08 | O09 | H082 | 119.8° | 120.0° |
| C07 | C08 | O09 | H081 | 119.8° | 120.1° |
| C08 | C07 | C10 | H101 | 57.0° | 57.6° |
| C07 | C08 | H082 | H081 | 120.7° | 120.0° |
| C07 | C08 | O09 | H091 | 180.0° | 180.0° |
| O11 | C10 | C12 | H121 | 49.5° | 56.9° |
| O11 | C10 | C07 | H071 | 54.4° | 57.5° |
| O09 | C08 | C07 | H071 | 74.3° | 54.9° |
| O09 | C08 | H082 | H081 | 120.7° | 119.9° |
| H101 | C10 | C12 | H121 | 172.1° | 177.1° |
| H101 | C10 | C07 | H071 | 176.2° | 177.6° |
| H101 | C10 | O11 | H111 | 58.8° | 60.0° |
| H121 | C12 | C14 | H141 | 43.2° | 57.0° |
| H121 | C12 | O13 | H131 | 58.7° | 60.2° |
| H141 | C14 | C05 | H051 | 45.2° | 57.5° |
| H141 | C14 | N15 | H151 | 167.0° | 144.8° |
| H201 | C20 | C19 | H191 | 70.8° | 66.4° |
| H201 | C20 | O21 | H211 | 60.2° | 60.0° |
| H202 | C20 | C19 | H191 | 49.6° | 173.6° |
| H202 | C20 | O21 | H211 | 60.2° | 60.0° |
| H021 | C02 | C03 | H031 | 172.6° | 177.0° |
| H021 | C02 | C63 | H631 | 179.4° | 177.1° |
| H021 | C02 | O01 | H011 | 59.7° | 60.0° |
| H031 | C03 | C19 | H191 | 177.2° | 177.7° |
| H071 | C07 | C08 | H082 | 45.5° | 65.0° |
| H071 | C07 | C08 | H081 | 165.9° | 175.0° |
| H082 | C08 | O09 | H091 | 60.2° | 60.0° |
| H081 | C08 | O09 | H091 | 60.2° | 60.0° |
| H172 | C17 | H173 | H171 | 120.0° | 119.9° |
| H231 | C23 | C63 | H631 | 62.4° | 57.6° |
| H312 | C31 | C32 | H321 | 97.8° | 75.8° |
| H311 | C31 | C32 | H321 | 144.2° | 164.3° |
| H342 | C34 | C35 | H351 | 172.7° | 180.0° |
| H342 | C34 | C35 | H352 | 70.5° | 60.0° |
| H341 | C34 | C35 | H351 | 55.2° | 60.0° |
| H341 | C34 | C35 | H352 | 172.0° | 180.0° |
| H351 | C35 | C36 | H361 | 163.0° | 179.9° |
| H352 | C35 | C36 | H361 | 80.2° | 60.1° |
| H381 | C38 | C39 | H391 | 176.8° | 180.0° |
| H381 | C38 | C39 | H392 | 66.2° | 60.0° |
| H382 | C38 | C39 | H391 | 59.7° | 60.0° |
| H382 | C38 | C39 | H392 | 176.8° | 180.0° |
| H391 | C39 | C40 | H401 | 107.5° | 179.4° |
| H392 | C39 | C40 | H401 | 135.4° | 60.6° |
| H422 | C42 | C43 | H431 | 79.2° | 180.0° |
| H422 | C42 | C43 | H432 | 38.7° | 59.9° |
| H421 | C42 | C43 | H431 | 37.7° | 59.9° |
| H421 | C42 | C43 | H432 | 155.6° | 180.0° |
| H431 | C43 | C44 | H441 | 137.4° | 64.7° |
| H432 | C43 | C44 | H441 | 19.5° | 175.2° |
| H461 | C46 | C47 | H471 | 104.5° | 180.0° |
| H461 | C46 | C47 | H472 | 13.5° | 59.9° |
| H462 | C46 | C47 | H471 | 10.0° | 60.0° |
| H462 | C46 | C47 | H472 | 128.0° | 180.0° |
| H471 | C47 | C48 | H481 | 125.1° | 179.5° |
| H472 | C47 | C48 | H481 | 116.9° | 59.5° |
| H502 | C50 | C51 | H512 | 131.6° | 179.9° |
| H502 | C50 | C51 | H511 | 13.0° | 60.0° |
| H501 | C50 | C51 | H512 | 112.6° | 60.0° |
| H501 | C50 | C51 | H511 | 128.8° | 179.9° |
| H512 | C51 | C52 | H521 | 119.8° | 180.0° |
| H511 | C51 | C52 | H521 | 121.6° | 60.0° |
| H543 | C54 | H541 | H542 | 120.0° | 120.0° |
| H553 | C55 | H551 | H552 | 120.0° | 120.0° |
| H561 | C56 | H563 | H562 | 120.0° | 120.0° |
| H573 | C57 | H571 | H572 | 120.0° | 120.0° |
| H582 | C58 | H581 | H583 | 120.0° | 120.0° |
| H593 | C59 | H592 | H591 | 120.0° | 119.9° |
| H602 | C60 | H601 | H603 | 120.0° | 120.0° |
| H631 | C63 | N64 | H641 | 147.3° | 144.9° |
| H663 | C66 | H662 | H661 | 120.0° | 120.1° |
