BSJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O56 | C66 | sing | 1.42Å | 1.42Å | |
| C66 | C65 | sing | 1.54Å | 1.54Å | |
| C66 | C61 | sing | 1.56Å | 1.56Å | |
| C65 | O55 | sing | 1.45Å | 1.45Å | |
| C65 | C64 | sing | 1.55Å | 1.55Å | |
| C64 | N53 | sing | 1.48Å | 1.48Å | |
| C64 | C63 | sing | 1.55Å | 1.55Å | |
| C63 | C62 | sing | 1.55Å | 1.55Å | |
| C62 | N52 | sing | 1.48Å | 1.48Å | |
| C62 | C61 | sing | 1.54Å | 1.54Å | |
| C61 | O54 | sing | 1.44Å | 1.44Å | |
| O54 | C60 | sing | 1.45Å | 1.45Å | |
| C60 | O53 | sing | 1.46Å | 1.46Å | |
| C60 | C55 | sing | 1.54Å | 1.54Å | |
| O53 | C59 | sing | 1.44Å | 1.44Å | |
| C55 | N50 | sing | 1.48Å | 1.48Å | |
| C55 | C56 | sing | 1.54Å | 1.54Å | |
| C56 | O51 | sing | 1.43Å | 1.43Å | |
| C56 | C57 | sing | 1.54Å | 1.54Å | |
| C57 | O52 | sing | 1.42Å | 1.42Å | |
| C57 | C59 | sing | 1.55Å | 1.55Å | |
| C59 | C58 | sing | 1.54Å | 1.54Å | |
| C58 | N51 | sing | 1.47Å | 1.47Å | |
| N51 | C54 | sing | 1.34Å | 1.34Å | |
| C54 | O57 | doub | 1.24Å | 1.24Å | |
| C54 | C53 | sing | 1.55Å | 1.55Å | |
| C53 | C52 | sing | 1.54Å | 1.54Å | |
| C52 | S1 | sing | 1.83Å | 1.83Å | |
| S1 | C51 | sing | 1.81Å | 1.81Å | |
| C51 | C50 | sing | 1.36Å | 1.36Å | |
| C50 | N49 | doub | 1.31Å | 1.31Å | |
| N49 | C49 | sing | 1.31Å | 1.31Å | |
| C49 | O49 | doub | 1.23Å | 1.23Å | |
| C49 | C48 | sing | 1.51Å | 1.51Å | |
| C48 | C47 | sing | 1.54Å | 1.54Å | |
| C47 | N46 | sing | 1.49Å | 1.49Å | |
| N46 | C46 | sing | 1.32Å | 1.32Å | |
| C46 | O46 | doub | 1.23Å | 1.23Å | |
| C46 | C45 | sing | 1.53Å | 1.53Å | |
| C45 | O45 | sing | 1.46Å | 1.46Å | |
| C45 | C42 | sing | 1.56Å | 1.56Å | |
| C42 | C43 | sing | 1.55Å | 1.55Å | |
| C42 | C44 | sing | 1.58Å | 1.58Å | |
| C42 | C41 | sing | 1.55Å | 1.55Å | |
| C41 | O33 | sing | 1.45Å | 1.45Å | |
| O33 | P3 | sing | 1.59Å | 1.59Å | |
| P3 | O31 | doub | 1.47Å | 1.47Å | |
| P3 | O32 | sing | 1.49Å | 1.49Å | |
| P3 | O24 | sing | 1.64Å | 1.64Å | |
| O24 | P2 | sing | 1.65Å | 1.65Å | |
| P2 | O22 | doub | 1.47Å | 1.47Å | |
| P2 | O23 | sing | 1.49Å | 1.49Å | |
| P2 | O21 | sing | 1.61Å | 1.61Å | |
| O21 | C15 | sing | 1.45Å | 1.45Å | |
| C15 | C14 | sing | 1.52Å | 1.52Å | |
| C14 | O17 | sing | 1.47Å | 1.47Å | |
| C14 | C13 | sing | 1.54Å | 1.54Å | |
| O17 | C11 | sing | 1.39Å | 1.39Å | |
| C13 | O13 | sing | 1.45Å | 1.45Å | |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| O13 | P1 | sing | 1.71Å | 1.71Å | |
| P1 | O16 | sing | 1.63Å | 1.63Å | |
| P1 | O14 | sing | 1.65Å | 1.65Å | |
| P1 | O15 | doub | 1.48Å | 1.48Å | |
| C12 | O12 | sing | 1.43Å | 1.43Å | |
| C12 | C11 | sing | 1.58Å | 1.58Å | |
| C11 | N1 | sing | 1.51Å | 1.51Å | |
| N1 | C1 | sing | 1.34Å | 1.34Å | Aromatic |
| N1 | C5 | sing | 1.33Å | 1.33Å | Aromatic |
| C1 | N2 | doub | 1.33Å | 1.33Å | Aromatic |
| N2 | C2 | sing | 1.32Å | 1.32Å | Aromatic |
| C2 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | N5 | doub | 1.35Å | 1.35Å | Aromatic |
| N5 | C4 | sing | 1.33Å | 1.33Å | Aromatic |
| C4 | N4 | doub | 1.33Å | 1.33Å | Aromatic |
| N4 | C3 | sing | 1.34Å | 1.34Å | Aromatic |
| C3 | N3 | sing | 1.34Å | 1.34Å | |
| O56 | H56 | sing | 0.95Å | 0.95Å | |
| C66 | H66 | sing | 1.10Å | 1.10Å | |
| C65 | H65 | sing | 1.10Å | 1.10Å | |
| C61 | H61 | sing | 1.10Å | 1.10Å | |
| O55 | H55 | sing | 0.95Å | 0.95Å | |
| C64 | H64 | sing | 1.10Å | 1.10Å | |
| N53 | H531 | sing | 1.00Å | 1.00Å | |
| N53 | H532 | sing | 1.00Å | 1.00Å | |
| C63 | H631 | sing | 1.10Å | 1.10Å | |
| C63 | H632 | sing | 1.10Å | 1.10Å | |
| C62 | H62 | sing | 1.10Å | 1.10Å | |
| N52 | H521 | sing | 1.00Å | 1.00Å | |
| N52 | H522 | sing | 1.00Å | 1.00Å | |
| C60 | H60 | sing | 1.10Å | 1.10Å | |
| C55 | HA | sing | 1.10Å | 1.10Å | |
| C59 | H59 | sing | 1.10Å | 1.10Å | |
| N50 | H501 | sing | 1.00Å | 1.00Å | |
| N50 | H502 | sing | 1.00Å | 1.00Å | |
| C56 | HB | sing | 1.10Å | 1.10Å | |
| O51 | H51 | sing | 0.95Å | 0.95Å | |
| C57 | H57 | sing | 1.10Å | 1.10Å | |
| O52 | H52 | sing | 0.95Å | 0.95Å | |
| C58 | H581 | sing | 1.10Å | 1.10Å | |
| C58 | H582 | sing | 1.10Å | 1.10Å | |
| N51 | HC | sing | 1.00Å | 1.00Å | |
| C53 | HA1 | sing | 1.10Å | 1.10Å | |
| C53 | HB2 | sing | 1.10Å | 1.10Å | |
| C52 | HB1 | sing | 1.10Å | 1.10Å | |
| C52 | HC2 | sing | 1.10Å | 1.10Å | |
| C51 | H511 | sing | 1.10Å | 1.10Å | |
| C51 | H512 | sing | 1.10Å | 1.10Å | |
| C50 | H50 | sing | 1.08Å | 1.08Å | |
| C48 | H481 | sing | 1.10Å | 1.10Å | |
| C48 | H482 | sing | 1.10Å | 1.10Å | |
| C47 | H471 | sing | 1.10Å | 1.10Å | |
| C47 | H472 | sing | 1.10Å | 1.10Å | |
| N46 | H46 | sing | 1.00Å | 1.00Å | |
| C45 | H45 | sing | 1.10Å | 1.10Å | |
| O45 | HD | sing | 0.95Å | 0.95Å | |
| C43 | H431 | sing | 1.10Å | 1.10Å | |
| C43 | H432 | sing | 1.10Å | 1.10Å | |
| C43 | H433 | sing | 1.10Å | 1.10Å | |
| C44 | H441 | sing | 1.10Å | 1.10Å | |
| C44 | H442 | sing | 1.10Å | 1.10Å | |
| C44 | H443 | sing | 1.10Å | 1.10Å | |
| C41 | H411 | sing | 1.10Å | 1.10Å | |
| C41 | H412 | sing | 1.10Å | 1.10Å | |
| O32 | H32 | sing | 0.95Å | 0.95Å | |
| O23 | H23 | sing | 0.95Å | 0.95Å | |
| C15 | H151 | sing | 1.10Å | 1.10Å | |
| C15 | H152 | sing | 1.10Å | 1.10Å | |
| C14 | H14 | sing | 1.10Å | 1.10Å | |
| C13 | H13 | sing | 1.10Å | 1.10Å | |
| C11 | H11 | sing | 1.10Å | 1.10Å | |
| C12 | H12 | sing | 1.10Å | 1.10Å | |
| O16 | H16 | sing | 0.95Å | 0.95Å | |
| O14 | HE | sing | 0.95Å | 0.95Å | |
| O12 | HF | sing | 0.95Å | 0.95Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| N3 | H3N1 | sing | 1.00Å | 1.00Å | |
| N3 | H3N2 | sing | 1.00Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O56 | C66 | C65 | 109.4° | 109.4° |
| O56 | C66 | C61 | 108.2° | 108.2° |
| C66 | O56 | H56 | 109.5° | 109.5° |
| O56 | C66 | H66 | 111.0° | 111.0° |
| C65 | C66 | C61 | 111.4° | 111.4° |
| C66 | C65 | O55 | 111.5° | 111.5° |
| C66 | C65 | C64 | 111.8° | 111.8° |
| C65 | C66 | H66 | 107.8° | 107.8° |
| C66 | C65 | H65 | 107.3° | 107.3° |
| C66 | C61 | C62 | 108.2° | 108.2° |
| C66 | C61 | O54 | 111.9° | 111.9° |
| C61 | C66 | H66 | 109.0° | 109.0° |
| C66 | C61 | H61 | 106.9° | 106.9° |
| O55 | C65 | C64 | 111.9° | 111.9° |
| O55 | C65 | H65 | 107.1° | 107.1° |
| C65 | O55 | H55 | 109.5° | 109.5° |
| C65 | C64 | N53 | 110.0° | 110.0° |
| C65 | C64 | C63 | 112.0° | 112.0° |
| C64 | C65 | H65 | 106.8° | 106.8° |
| C65 | C64 | H64 | 107.2° | 107.2° |
| N53 | C64 | C63 | 108.9° | 108.9° |
| N53 | C64 | H64 | 110.4° | 110.4° |
| C64 | N53 | H531 | 109.5° | 109.5° |
| C64 | N53 | H532 | 109.5° | 109.5° |
| C64 | C63 | C62 | 112.2° | 112.2° |
| C63 | C64 | H64 | 108.3° | 108.4° |
| C64 | C63 | H631 | 108.6° | 108.6° |
| C64 | C63 | H632 | 107.9° | 107.9° |
| C63 | C62 | N52 | 111.9° | 111.9° |
| C63 | C62 | C61 | 113.3° | 113.3° |
| C62 | C63 | H631 | 108.6° | 108.6° |
| C62 | C63 | H632 | 108.0° | 108.0° |
| C63 | C62 | H62 | 105.3° | 105.3° |
| N52 | C62 | C61 | 110.4° | 110.4° |
| N52 | C62 | H62 | 108.6° | 108.6° |
| C62 | N52 | H521 | 109.5° | 109.5° |
| C62 | N52 | H522 | 109.4° | 109.4° |
| C62 | C61 | O54 | 103.3° | 103.3° |
| C62 | C61 | H61 | 115.0° | 115.0° |
| C61 | C62 | H62 | 107.0° | 107.0° |
| C61 | O54 | C60 | 116.3° | 116.3° |
| O54 | C61 | H61 | 111.6° | 111.6° |
| O54 | C60 | O53 | 111.2° | 111.2° |
| O54 | C60 | C55 | 109.5° | 109.5° |
| O54 | C60 | H60 | 109.0° | 108.9° |
| O53 | C60 | C55 | 111.4° | 111.4° |
| C60 | O53 | C59 | 113.4° | 113.4° |
| O53 | C60 | H60 | 107.0° | 107.0° |
| C60 | C55 | N50 | 109.8° | 109.8° |
| C60 | C55 | C56 | 109.9° | 109.9° |
| C55 | C60 | H60 | 108.7° | 108.7° |
| C60 | C55 | HA | 109.9° | 109.9° |
| O53 | C59 | C57 | 106.9° | 106.9° |
| O53 | C59 | C58 | 109.5° | 109.5° |
| O53 | C59 | H59 | 114.8° | 114.8° |
| N50 | C55 | C56 | 112.3° | 112.3° |
| N50 | C55 | HA | 107.5° | 107.5° |
| C55 | N50 | H501 | 109.5° | 109.5° |
| C55 | N50 | H502 | 109.5° | 109.5° |
| C55 | C56 | O51 | 111.8° | 111.8° |
| C55 | C56 | C57 | 109.3° | 109.3° |
| C56 | C55 | HA | 107.4° | 107.4° |
| C55 | C56 | HB | 108.5° | 108.5° |
| O51 | C56 | C57 | 111.0° | 111.0° |
| O51 | C56 | HB | 106.7° | 106.7° |
| C56 | O51 | H51 | 109.5° | 109.5° |
| C56 | C57 | O52 | 110.4° | 110.4° |
| C56 | C57 | C59 | 107.1° | 107.1° |
| C57 | C56 | HB | 109.3° | 109.4° |
| C56 | C57 | H57 | 110.0° | 110.0° |
| O52 | C57 | C59 | 108.3° | 108.3° |
| O52 | C57 | H57 | 108.8° | 108.8° |
| C57 | O52 | H52 | 109.5° | 109.5° |
| C57 | C59 | C58 | 118.4° | 118.4° |
| C57 | C59 | H59 | 105.2° | 105.2° |
| C59 | C57 | H57 | 112.1° | 112.1° |
| C59 | C58 | N51 | 110.7° | 110.7° |
| C58 | C59 | H59 | 102.3° | 102.3° |
| C59 | C58 | H581 | 109.1° | 109.1° |
| C59 | C58 | H582 | 108.8° | 108.8° |
| C58 | N51 | C54 | 121.2° | 121.2° |
| N51 | C58 | H581 | 109.1° | 109.1° |
| N51 | C58 | H582 | 108.8° | 108.8° |
| C58 | N51 | HC | 119.4° | 119.4° |
| N51 | C54 | O57 | 124.3° | 124.3° |
| N51 | C54 | C53 | 114.3° | 114.3° |
| C54 | N51 | HC | 119.4° | 119.4° |
| O57 | C54 | C53 | 121.4° | 121.4° |
| C54 | C53 | C52 | 113.1° | 113.1° |
| C54 | C53 | HA1 | 108.3° | 108.3° |
| C54 | C53 | HB2 | 107.5° | 107.5° |
| C53 | C52 | S1 | 112.8° | 112.8° |
| C52 | C53 | HA1 | 108.3° | 108.3° |
| C52 | C53 | HB2 | 107.5° | 107.5° |
| C53 | C52 | HB1 | 108.4° | 108.4° |
| C53 | C52 | HC2 | 107.6° | 107.6° |
| C52 | S1 | C51 | 99.8° | 99.8° |
| S1 | C52 | HB1 | 108.4° | 108.4° |
| S1 | C52 | HC2 | 107.7° | 107.7° |
| S1 | C51 | C50 | 104.6° | 104.6° |
| S1 | C51 | H511 | 111.2° | 111.2° |
| S1 | C51 | H512 | 112.2° | 112.2° |
| C51 | C50 | N49 | 125.3° | 125.3° |
| C50 | C51 | H511 | 111.1° | 111.1° |
| C50 | C51 | H512 | 112.2° | 112.2° |
| C51 | C50 | H50 | 117.4° | 117.3° |
| C50 | N49 | C49 | 129.1° | 129.1° |
| N49 | C50 | H50 | 117.3° | 117.4° |
| N49 | C49 | O49 | 126.6° | 126.6° |
| N49 | C49 | C48 | 110.5° | 110.5° |
| O49 | C49 | C48 | 122.9° | 122.9° |
| C49 | C48 | C47 | 110.2° | 110.2° |
| C49 | C48 | H481 | 109.2° | 109.2° |
| C49 | C48 | H482 | 109.0° | 109.0° |
| C48 | C47 | N46 | 112.9° | 112.9° |
| C47 | C48 | H481 | 109.2° | 109.2° |
| C47 | C48 | H482 | 109.0° | 109.0° |
| C48 | C47 | H471 | 108.3° | 108.3° |
| C48 | C47 | H472 | 107.6° | 107.6° |
| C47 | N46 | C46 | 124.6° | 124.6° |
| N46 | C47 | H471 | 108.3° | 108.3° |
| N46 | C47 | H472 | 107.6° | 107.6° |
| C47 | N46 | H46 | 117.7° | 117.7° |
| N46 | C46 | O46 | 123.8° | 123.8° |
| N46 | C46 | C45 | 115.2° | 115.2° |
| C46 | N46 | H46 | 117.7° | 117.7° |
| O46 | C46 | C45 | 121.0° | 121.0° |
| C46 | C45 | O45 | 111.0° | 111.0° |
| C46 | C45 | C42 | 113.5° | 113.5° |
| C46 | C45 | H45 | 106.2° | 106.2° |
| O45 | C45 | C42 | 111.2° | 111.2° |
| O45 | C45 | H45 | 108.7° | 108.7° |
| C45 | O45 | HD | 109.5° | 109.5° |
| C45 | C42 | C43 | 110.7° | 110.7° |
| C45 | C42 | C44 | 111.9° | 111.9° |
| C45 | C42 | C41 | 106.5° | 106.5° |
| C42 | C45 | H45 | 105.9° | 105.9° |
| C43 | C42 | C44 | 110.6° | 110.6° |
| C43 | C42 | C41 | 107.5° | 107.5° |
| C42 | C43 | H431 | 109.5° | 109.5° |
| C42 | C43 | H432 | 109.5° | 109.5° |
| C42 | C43 | H433 | 109.4° | 109.4° |
| C44 | C42 | C41 | 109.4° | 109.4° |
| C42 | C44 | H441 | 109.5° | 109.5° |
| C42 | C44 | H442 | 109.5° | 109.5° |
| C42 | C44 | H443 | 109.4° | 109.5° |
| C42 | C41 | O33 | 110.4° | 110.4° |
| C42 | C41 | H411 | 109.2° | 109.2° |
| C42 | C41 | H412 | 109.0° | 109.0° |
| C41 | O33 | P3 | 126.1° | 126.1° |
| O33 | C41 | H411 | 109.2° | 109.2° |
| O33 | C41 | H412 | 109.0° | 109.0° |
| O33 | P3 | O31 | 109.6° | 109.6° |
| O33 | P3 | O32 | 108.5° | 108.5° |
| O33 | P3 | O24 | 104.4° | 104.4° |
| O31 | P3 | O32 | 119.3° | 119.3° |
| O31 | P3 | O24 | 109.9° | 109.9° |
| O32 | P3 | O24 | 104.0° | 104.0° |
| P3 | O32 | H32 | 109.5° | 109.5° |
| P3 | O24 | P2 | 124.7° | 124.7° |
| O24 | P2 | O22 | 109.9° | 109.9° |
| O24 | P2 | O23 | 110.2° | 110.2° |
| O24 | P2 | O21 | 93.1° | 93.1° |
| O22 | P2 | O23 | 118.7° | 118.7° |
| O22 | P2 | O21 | 110.1° | 110.1° |
| O23 | P2 | O21 | 111.8° | 111.8° |
| P2 | O23 | H23 | 109.5° | 109.5° |
| P2 | O21 | C15 | 121.3° | 121.3° |
| O21 | C15 | C14 | 111.7° | 111.7° |
| O21 | C15 | H151 | 108.8° | 108.8° |
| O21 | C15 | H152 | 108.2° | 108.2° |
| C15 | C14 | O17 | 108.3° | 108.3° |
| C15 | C14 | C13 | 109.5° | 109.5° |
| C14 | C15 | H151 | 108.7° | 108.7° |
| C14 | C15 | H152 | 108.3° | 108.3° |
| C15 | C14 | H14 | 110.0° | 110.0° |
| O17 | C14 | C13 | 108.9° | 108.9° |
| C14 | O17 | C11 | 110.7° | 110.7° |
| O17 | C14 | H14 | 110.6° | 110.6° |
| C14 | C13 | O13 | 112.2° | 112.2° |
| C14 | C13 | C12 | 101.0° | 101.0° |
| C13 | C14 | H14 | 109.5° | 109.5° |
| C14 | C13 | H13 | 114.4° | 114.4° |
| O17 | C11 | C12 | 104.3° | 104.3° |
| O17 | C11 | N1 | 109.5° | 109.5° |
| O17 | C11 | H11 | 112.7° | 112.7° |
| O13 | C13 | C12 | 113.0° | 113.0° |
| C13 | O13 | P1 | 123.0° | 123.0° |
| O13 | C13 | H13 | 102.9° | 102.9° |
| C13 | C12 | O12 | 107.0° | 107.0° |
| C13 | C12 | C11 | 105.4° | 105.4° |
| C12 | C13 | H13 | 113.7° | 113.7° |
| C13 | C12 | H12 | 116.4° | 116.4° |
| O13 | P1 | O16 | 108.1° | 108.1° |
| O13 | P1 | O14 | 107.3° | 107.3° |
| O13 | P1 | O15 | 115.0° | 115.0° |
| O16 | P1 | O14 | 107.5° | 107.5° |
| O16 | P1 | O15 | 106.4° | 106.4° |
| P1 | O16 | H16 | 109.5° | 109.5° |
| O14 | P1 | O15 | 112.3° | 112.3° |
| P1 | O14 | HE | 109.5° | 109.5° |
| O12 | C12 | C11 | 116.5° | 116.5° |
| O12 | C12 | H12 | 105.2° | 105.2° |
| C12 | O12 | HF | 109.5° | 109.5° |
| C12 | C11 | N1 | 109.1° | 109.1° |
| C12 | C11 | H11 | 113.0° | 113.0° |
| C11 | C12 | H12 | 106.9° | 106.9° |
| C11 | N1 | C1 | 126.0° | 126.0° |
| C11 | N1 | C5 | 127.0° | 127.0° |
| N1 | C11 | H11 | 108.1° | 108.1° |
| C1 | N1 | C5 | 106.9° | 106.9° |
| N1 | C1 | N2 | 110.3° | 110.3° |
| N1 | C1 | H1 | 124.8° | 124.8° |
| N1 | C5 | C2 | 107.8° | 107.8° |
| N1 | C5 | N5 | 132.6° | 132.6° |
| C1 | N2 | C2 | 107.7° | 107.7° |
| N2 | C1 | H1 | 124.9° | 124.9° |
| N2 | C2 | C5 | 107.3° | 107.3° |
| N2 | C2 | C3 | 133.9° | 133.9° |
| C5 | C2 | C3 | 118.8° | 118.8° |
| C2 | C5 | N5 | 119.6° | 119.6° |
| C2 | C3 | N4 | 117.8° | 117.8° |
| C2 | C3 | N3 | 122.7° | 122.7° |
| C5 | N5 | C4 | 120.5° | 120.5° |
| N5 | C4 | N4 | 121.1° | 121.1° |
| N5 | C4 | H4 | 119.4° | 119.4° |
| C4 | N4 | C3 | 122.2° | 122.2° |
| N4 | C4 | H4 | 119.4° | 119.4° |
| N4 | C3 | N3 | 119.5° | 119.5° |
| C3 | N3 | H3N1 | 109.5° | 109.5° |
| C3 | N3 | H3N2 | 109.5° | 109.5° |
| H531 | N53 | H532 | 109.5° | 109.5° |
| H631 | C63 | H632 | 111.6° | 111.6° |
| H521 | N52 | H522 | 109.5° | 109.5° |
| H501 | N50 | H502 | 109.5° | 109.5° |
| H581 | C58 | H582 | 110.4° | 110.4° |
| HA1 | C53 | HB2 | 112.3° | 112.3° |
| HB1 | C52 | HC2 | 112.1° | 112.1° |
| H511 | C51 | H512 | 105.7° | 105.7° |
| H481 | C48 | H482 | 110.1° | 110.1° |
| H471 | C47 | H472 | 112.2° | 112.2° |
| H431 | C43 | H432 | 109.5° | 109.5° |
| H431 | C43 | H433 | 109.5° | 109.5° |
| H432 | C43 | H433 | 109.5° | 109.5° |
| H441 | C44 | H442 | 109.5° | 109.5° |
| H441 | C44 | H443 | 109.5° | 109.4° |
| H442 | C44 | H443 | 109.5° | 109.5° |
| H411 | C41 | H412 | 110.2° | 110.2° |
| H151 | C15 | H152 | 111.2° | 111.2° |
| H3N1 | N3 | H3N2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O56 | C66 | C65 | C61 | 119.6° | 119.6° |
| O56 | C66 | C65 | H66 | 120.9° | 120.9° |
| O56 | C66 | C61 | H66 | 120.9° | 120.9° |
| O56 | C66 | C65 | O55 | 56.4° | 56.4° |
| O56 | C66 | C65 | C64 | 177.4° | 177.4° |
| O56 | C66 | C61 | C62 | 178.9° | 178.9° |
| O56 | C66 | C61 | O54 | 67.9° | 67.9° |
| O56 | C66 | C65 | H65 | 60.6° | 60.6° |
| O56 | C66 | C61 | H61 | 54.5° | 54.5° |
| C65 | C66 | C61 | H66 | 118.9° | 118.9° |
| C66 | C65 | O55 | C64 | 126.1° | 126.1° |
| C66 | C65 | O55 | H65 | 117.1° | 117.1° |
| C66 | C65 | C64 | H65 | 117.1° | 117.1° |
| C66 | C65 | C64 | N53 | 173.5° | 173.5° |
| C66 | C65 | C64 | C63 | 52.3° | 52.3° |
| C65 | C66 | C61 | C62 | 58.7° | 58.7° |
| C65 | C66 | C61 | O54 | 171.8° | 171.8° |
| C65 | C66 | O56 | H56 | 165.7° | 165.7° |
| C65 | C66 | C61 | H61 | 65.8° | 65.8° |
| C66 | C65 | O55 | H55 | 12.2° | 12.2° |
| C66 | C65 | C64 | H64 | 66.4° | 66.4° |
| C61 | C66 | C65 | O55 | 176.0° | 176.0° |
| C61 | C66 | C65 | C64 | 57.9° | 57.9° |
| C66 | C61 | C62 | C63 | 56.3° | 56.3° |
| C66 | C61 | C62 | N52 | 177.2° | 177.2° |
| C66 | C61 | C62 | O54 | 118.7° | 118.7° |
| C66 | C61 | C62 | H61 | 119.4° | 119.4° |
| C66 | C61 | O54 | H61 | 119.7° | 119.7° |
| C66 | C61 | O54 | C60 | 81.9° | 81.9° |
| C61 | C66 | O56 | H56 | 72.8° | 72.8° |
| C61 | C66 | C65 | H65 | 59.0° | 59.0° |
| C66 | C61 | C62 | H62 | 59.3° | 59.3° |
| O55 | C65 | C64 | H65 | 117.0° | 117.0° |
| O55 | C65 | C64 | N53 | 60.6° | 60.6° |
| O55 | C65 | C64 | C63 | 178.2° | 178.2° |
| O55 | C65 | C66 | H66 | 64.4° | 64.4° |
| O55 | C65 | C64 | H64 | 59.5° | 59.5° |
| C65 | C64 | N53 | C63 | 123.0° | 123.0° |
| C65 | C64 | N53 | H64 | 118.1° | 118.1° |
| C65 | C64 | C63 | H64 | 118.1° | 118.1° |
| C65 | C64 | C63 | C62 | 49.2° | 49.2° |
| C64 | C65 | C66 | H66 | 61.7° | 61.7° |
| C64 | C65 | O55 | H55 | 113.8° | 113.8° |
| C65 | C64 | N53 | H531 | 100.5° | 100.5° |
| C65 | C64 | N53 | H532 | 139.6° | 139.6° |
| C65 | C64 | C63 | H631 | 70.7° | 70.7° |
| C65 | C64 | C63 | H632 | 168.1° | 168.1° |
| N53 | C64 | C63 | H64 | 120.1° | 120.1° |
| N53 | C64 | C63 | C62 | 171.1° | 171.1° |
| N53 | C64 | C65 | H65 | 56.4° | 56.4° |
| C64 | N53 | H531 | H532 | 120.0° | 120.0° |
| N53 | C64 | C63 | H631 | 51.1° | 51.1° |
| N53 | C64 | C63 | H632 | 70.1° | 70.1° |
| C64 | C63 | C62 | H631 | 120.0° | 120.0° |
| C64 | C63 | C62 | H632 | 118.8° | 118.8° |
| C64 | C63 | C62 | N52 | 178.4° | 178.4° |
| C64 | C63 | C62 | C61 | 52.8° | 52.8° |
| C63 | C64 | C65 | H65 | 64.8° | 64.8° |
| C63 | C64 | N53 | H531 | 136.5° | 136.5° |
| C63 | C64 | N53 | H532 | 16.5° | 16.5° |
| C64 | C63 | H631 | H632 | 118.9° | 118.9° |
| C64 | C63 | C62 | H62 | 63.8° | 63.8° |
| C63 | C62 | N52 | C61 | 127.2° | 127.2° |
| C63 | C62 | N52 | H62 | 115.8° | 115.8° |
| C63 | C62 | C61 | H62 | 115.6° | 115.6° |
| C63 | C62 | C61 | O54 | 175.1° | 175.1° |
| C63 | C62 | C61 | H61 | 63.1° | 63.1° |
| C62 | C63 | C64 | H64 | 68.8° | 68.8° |
| C62 | C63 | H631 | H632 | 118.9° | 118.9° |
| C63 | C62 | N52 | H521 | 16.4° | 16.4° |
| C63 | C62 | N52 | H522 | 103.6° | 103.6° |
| N52 | C62 | C61 | H62 | 118.0° | 118.0° |
| N52 | C62 | C61 | O54 | 58.5° | 58.5° |
| N52 | C62 | C61 | H61 | 63.4° | 63.4° |
| N52 | C62 | C63 | H631 | 58.4° | 58.4° |
| N52 | C62 | C63 | H632 | 62.8° | 62.8° |
| C62 | N52 | H521 | H522 | 120.0° | 120.0° |
| C62 | C61 | O54 | H61 | 124.1° | 124.1° |
| C62 | C61 | O54 | C60 | 162.0° | 162.0° |
| C62 | C61 | C66 | H66 | 60.2° | 60.2° |
| C61 | C62 | C63 | H631 | 67.2° | 67.2° |
| C61 | C62 | C63 | H632 | 171.6° | 171.6° |
| C61 | C62 | N52 | H521 | 110.8° | 110.8° |
| C61 | C62 | N52 | H522 | 129.2° | 129.2° |
| C61 | O54 | C60 | O53 | 59.8° | 59.8° |
| C61 | O54 | C60 | C55 | 176.7° | 176.7° |
| O54 | C61 | C66 | H66 | 52.9° | 52.9° |
| O54 | C61 | C62 | H62 | 59.5° | 59.5° |
| C61 | O54 | C60 | H60 | 57.9° | 57.9° |
| O54 | C60 | O53 | C55 | 122.4° | 122.4° |
| O54 | C60 | O53 | H60 | 118.9° | 118.9° |
| O54 | C60 | C55 | H60 | 119.0° | 118.9° |
| O54 | C60 | O53 | C59 | 64.1° | 64.1° |
| O54 | C60 | C55 | N50 | 51.9° | 51.9° |
| O54 | C60 | C55 | C56 | 72.0° | 72.0° |
| C60 | O54 | C61 | H61 | 37.9° | 37.9° |
| O54 | C60 | C55 | HA | 170.0° | 170.0° |
| O53 | C60 | C55 | H60 | 117.7° | 117.7° |
| O53 | C60 | C55 | N50 | 175.3° | 175.3° |
| O53 | C60 | C55 | C56 | 51.3° | 51.3° |
| C60 | O53 | C59 | C57 | 64.6° | 64.6° |
| C60 | O53 | C59 | C58 | 166.0° | 166.0° |
| O53 | C60 | C55 | HA | 66.7° | 66.7° |
| C60 | O53 | C59 | H59 | 51.6° | 51.6° |
| C55 | C60 | O53 | C59 | 58.3° | 58.3° |
| C60 | C55 | N50 | C56 | 122.6° | 122.6° |
| C60 | C55 | N50 | HA | 119.5° | 119.5° |
| C60 | C55 | C56 | HA | 119.5° | 119.5° |
| C60 | C55 | C56 | O51 | 177.8° | 177.8° |
| C60 | C55 | C56 | C57 | 54.5° | 54.5° |
| C60 | C55 | N50 | H501 | 166.3° | 166.3° |
| C60 | C55 | N50 | H502 | 73.6° | 73.6° |
| C60 | C55 | C56 | HB | 64.7° | 64.7° |
| O53 | C59 | C57 | C56 | 64.9° | 64.9° |
| O53 | C59 | C57 | O52 | 175.9° | 175.9° |
| O53 | C59 | C57 | C58 | 124.1° | 124.1° |
| O53 | C59 | C57 | H59 | 122.5° | 122.5° |
| O53 | C59 | C58 | H59 | 122.2° | 122.2° |
| O53 | C59 | C58 | N51 | 66.0° | 66.0° |
| C59 | O53 | C60 | H60 | 177.0° | 177.0° |
| O53 | C59 | C57 | H57 | 55.8° | 55.8° |
| O53 | C59 | C58 | H581 | 54.0° | 54.0° |
| O53 | C59 | C58 | H582 | 174.5° | 174.5° |
| N50 | C55 | C56 | HA | 117.9° | 117.9° |
| N50 | C55 | C56 | O51 | 59.6° | 59.6° |
| N50 | C55 | C56 | C57 | 177.0° | 177.0° |
| N50 | C55 | C60 | H60 | 67.1° | 67.0° |
| C55 | N50 | H501 | H502 | 120.0° | 120.0° |
| N50 | C55 | C56 | HB | 57.8° | 57.8° |
| C55 | C56 | O51 | C57 | 122.4° | 122.4° |
| C55 | C56 | O51 | HB | 118.5° | 118.5° |
| C55 | C56 | C57 | HB | 118.7° | 118.7° |
| C55 | C56 | C57 | O52 | 179.2° | 179.2° |
| C55 | C56 | C57 | C59 | 61.4° | 61.4° |
| C56 | C55 | C60 | H60 | 169.0° | 169.0° |
| C56 | C55 | N50 | H501 | 71.1° | 71.1° |
| C56 | C55 | N50 | H502 | 48.9° | 48.9° |
| C55 | C56 | O51 | H51 | 143.1° | 143.1° |
| C55 | C56 | C57 | H57 | 60.6° | 60.6° |
| O51 | C56 | C57 | HB | 117.5° | 117.5° |
| O51 | C56 | C57 | O52 | 57.0° | 57.0° |
| O51 | C56 | C57 | C59 | 174.8° | 174.8° |
| O51 | C56 | C55 | HA | 58.3° | 58.3° |
| O51 | C56 | C57 | H57 | 63.2° | 63.2° |
| C56 | C57 | O52 | C59 | 117.0° | 117.0° |
| C56 | C57 | O52 | H57 | 120.9° | 120.9° |
| C56 | C57 | C59 | H57 | 120.8° | 120.8° |
| C56 | C57 | C59 | C58 | 171.0° | 171.0° |
| C57 | C56 | C55 | HA | 65.1° | 65.1° |
| C56 | C57 | C59 | H59 | 57.5° | 57.5° |
| C57 | C56 | O51 | H51 | 94.6° | 94.6° |
| C56 | C57 | O52 | H52 | 120.4° | 120.5° |
| O52 | C57 | C59 | H57 | 120.1° | 120.1° |
| O52 | C57 | C59 | C58 | 51.9° | 51.9° |
| O52 | C57 | C59 | H59 | 61.6° | 61.6° |
| O52 | C57 | C56 | HB | 60.5° | 60.5° |
| C57 | C59 | C58 | H59 | 115.0° | 115.0° |
| C57 | C59 | C58 | N51 | 56.8° | 56.8° |
| C59 | C57 | C56 | HB | 57.2° | 57.3° |
| C59 | C57 | O52 | H52 | 3.4° | 3.4° |
| C57 | C59 | C58 | H581 | 176.8° | 176.8° |
| C57 | C59 | C58 | H582 | 62.7° | 62.7° |
| C59 | C58 | N51 | H581 | 120.0° | 120.0° |
| C59 | C58 | N51 | H582 | 119.5° | 119.5° |
| C59 | C58 | N51 | C54 | 177.9° | 177.9° |
| C58 | C59 | C57 | H57 | 68.2° | 68.2° |
| C59 | C58 | H581 | H582 | 119.5° | 119.5° |
| C59 | C58 | N51 | HC | 2.1° | 2.1° |
| C58 | N51 | C54 | HC | 180.0° | 180.0° |
| C58 | N51 | C54 | O57 | 0.5° | 0.5° |
| C58 | N51 | C54 | C53 | 178.7° | 178.7° |
| N51 | C58 | C59 | H59 | 171.8° | 171.8° |
| N51 | C58 | H581 | H582 | 119.5° | 119.5° |
| N51 | C54 | O57 | C53 | 178.1° | 178.1° |
| N51 | C54 | C53 | C52 | 83.9° | 83.9° |
| C54 | N51 | C58 | H581 | 62.1° | 62.1° |
| C54 | N51 | C58 | H582 | 58.4° | 58.4° |
| N51 | C54 | C53 | HA1 | 36.1° | 36.1° |
| N51 | C54 | C53 | HB2 | 157.6° | 157.6° |
| O57 | C54 | C53 | C52 | 94.4° | 94.4° |
| O57 | C54 | N51 | HC | 179.5° | 179.6° |
| O57 | C54 | C53 | HA1 | 145.6° | 145.6° |
| O57 | C54 | C53 | HB2 | 24.1° | 24.1° |
| C54 | C53 | C52 | HA1 | 120.0° | 120.0° |
| C54 | C53 | C52 | HB2 | 118.4° | 118.4° |
| C54 | C53 | C52 | S1 | 41.5° | 41.5° |
| C53 | C54 | N51 | HC | 1.3° | 1.3° |
| C54 | C53 | HA1 | HB2 | 118.5° | 118.5° |
| C54 | C53 | C52 | HB1 | 78.5° | 78.5° |
| C54 | C53 | C52 | HC2 | 160.1° | 160.1° |
| C53 | C52 | S1 | HB1 | 120.0° | 120.0° |
| C53 | C52 | S1 | HC2 | 118.6° | 118.6° |
| C53 | C52 | S1 | C51 | 97.6° | 97.6° |
| C52 | C53 | HA1 | HB2 | 118.5° | 118.5° |
| C53 | C52 | HB1 | HC2 | 118.6° | 118.6° |
| C52 | S1 | C51 | C50 | 69.8° | 69.8° |
| S1 | C52 | C53 | HA1 | 161.5° | 161.5° |
| S1 | C52 | C53 | HB2 | 77.0° | 77.0° |
| S1 | C52 | HB1 | HC2 | 118.7° | 118.7° |
| C52 | S1 | C51 | H511 | 170.2° | 170.2° |
| C52 | S1 | C51 | H512 | 52.0° | 52.0° |
| S1 | C51 | C50 | H511 | 120.0° | 120.0° |
| S1 | C51 | C50 | H512 | 121.9° | 121.8° |
| S1 | C51 | C50 | N49 | 109.2° | 109.2° |
| C51 | S1 | C52 | HB1 | 142.4° | 142.4° |
| C51 | S1 | C52 | HC2 | 21.0° | 21.0° |
| S1 | C51 | H511 | H512 | 122.0° | 122.0° |
| S1 | C51 | C50 | H50 | 70.8° | 70.8° |
| C51 | C50 | N49 | H50 | 180.0° | 180.0° |
| C51 | C50 | N49 | C49 | 2.7° | 2.7° |
| C50 | C51 | H511 | H512 | 121.9° | 122.0° |
| C50 | N49 | C49 | O49 | 0.9° | 0.9° |
| C50 | N49 | C49 | C48 | 177.8° | 177.8° |
| N49 | C50 | C51 | H511 | 130.8° | 130.8° |
| N49 | C50 | C51 | H512 | 12.6° | 12.6° |
| N49 | C49 | O49 | C48 | 178.5° | 178.5° |
| N49 | C49 | C48 | C47 | 125.9° | 125.9° |
| C49 | N49 | C50 | H50 | 177.3° | 177.3° |
| N49 | C49 | C48 | H481 | 114.1° | 114.1° |
| N49 | C49 | C48 | H482 | 6.2° | 6.2° |
| O49 | C49 | C48 | C47 | 52.9° | 52.9° |
| O49 | C49 | C48 | H481 | 67.2° | 67.2° |
| O49 | C49 | C48 | H482 | 172.5° | 172.5° |
| C49 | C48 | C47 | H481 | 120.0° | 120.0° |
| C49 | C48 | C47 | H482 | 119.7° | 119.7° |
| C49 | C48 | C47 | N46 | 46.5° | 46.5° |
| C49 | C48 | H481 | H482 | 119.7° | 119.7° |
| C49 | C48 | C47 | H471 | 73.5° | 73.5° |
| C49 | C48 | C47 | H472 | 165.0° | 165.0° |
| C48 | C47 | N46 | H471 | 120.0° | 120.0° |
| C48 | C47 | N46 | H472 | 118.5° | 118.5° |
| C48 | C47 | N46 | C46 | 70.1° | 70.1° |
| C47 | C48 | H481 | H482 | 119.7° | 119.7° |
| C48 | C47 | H471 | H472 | 118.6° | 118.6° |
| C48 | C47 | N46 | H46 | 109.9° | 109.9° |
| C47 | N46 | C46 | H46 | 180.0° | 180.0° |
| C47 | N46 | C46 | O46 | 0.2° | 0.2° |
| C47 | N46 | C46 | C45 | 180.0° | 180.0° |
| N46 | C47 | C48 | H481 | 166.5° | 166.5° |
| N46 | C47 | C48 | H482 | 73.2° | 73.2° |
| N46 | C47 | H471 | H472 | 118.6° | 118.6° |
| N46 | C46 | O46 | C45 | 179.8° | 179.8° |
| N46 | C46 | C45 | O45 | 26.5° | 26.5° |
| N46 | C46 | C45 | C42 | 99.7° | 99.7° |
| C46 | N46 | C47 | H471 | 170.0° | 170.0° |
| C46 | N46 | C47 | H472 | 48.5° | 48.5° |
| N46 | C46 | C45 | H45 | 144.4° | 144.4° |
| O46 | C46 | C45 | O45 | 153.3° | 153.3° |
| O46 | C46 | C45 | C42 | 80.5° | 80.5° |
| O46 | C46 | N46 | H46 | 179.8° | 179.8° |
| O46 | C46 | C45 | H45 | 35.4° | 35.4° |
| C46 | C45 | O45 | C42 | 127.4° | 127.4° |
| C46 | C45 | O45 | H45 | 116.4° | 116.4° |
| C46 | C45 | C42 | H45 | 116.1° | 116.1° |
| C46 | C45 | C42 | C43 | 77.4° | 77.4° |
| C46 | C45 | C42 | C44 | 46.5° | 46.5° |
| C46 | C45 | C42 | C41 | 166.1° | 166.1° |
| C45 | C46 | N46 | H46 | 0.0° | 0.0° |
| C46 | C45 | O45 | HD | 134.4° | 134.4° |
| O45 | C45 | C42 | H45 | 117.9° | 117.9° |
| O45 | C45 | C42 | C43 | 48.6° | 48.6° |
| O45 | C45 | C42 | C44 | 172.5° | 172.5° |
| O45 | C45 | C42 | C41 | 67.9° | 67.9° |
| C45 | C42 | C43 | C44 | 124.7° | 124.7° |
| C45 | C42 | C43 | C41 | 116.0° | 116.0° |
| C45 | C42 | C44 | C41 | 117.8° | 117.8° |
| C45 | C42 | C41 | O33 | 63.8° | 63.8° |
| C42 | C45 | O45 | HD | 98.2° | 98.2° |
| C45 | C42 | C43 | H431 | 172.2° | 172.2° |
| C45 | C42 | C43 | H432 | 67.8° | 67.8° |
| C45 | C42 | C43 | H433 | 52.2° | 52.2° |
| C45 | C42 | C44 | H441 | 97.1° | 97.1° |
| C45 | C42 | C44 | H442 | 142.9° | 142.9° |
| C45 | C42 | C44 | H443 | 22.9° | 22.9° |
| C45 | C42 | C41 | H411 | 176.2° | 176.2° |
| C45 | C42 | C41 | H412 | 55.8° | 55.8° |
| C43 | C42 | C44 | C41 | 118.2° | 118.2° |
| C43 | C42 | C41 | O33 | 177.5° | 177.5° |
| C43 | C42 | C45 | H45 | 166.5° | 166.5° |
| C42 | C43 | H431 | H432 | 120.0° | 120.0° |
| C42 | C43 | H431 | H433 | 120.0° | 120.0° |
| C42 | C43 | H432 | H433 | 120.0° | 120.0° |
| C43 | C42 | C44 | H441 | 26.9° | 26.9° |
| C43 | C42 | C44 | H442 | 93.1° | 93.1° |
| C43 | C42 | C44 | H443 | 146.9° | 146.9° |
| C43 | C42 | C41 | H411 | 57.5° | 57.5° |
| C43 | C42 | C41 | H412 | 62.9° | 62.9° |
| C44 | C42 | C41 | O33 | 57.4° | 57.4° |
| C44 | C42 | C45 | H45 | 69.6° | 69.6° |
| C44 | C42 | C43 | H431 | 63.1° | 63.1° |
| C44 | C42 | C43 | H432 | 56.9° | 56.9° |
| C44 | C42 | C43 | H433 | 176.9° | 176.9° |
| C42 | C44 | H441 | H442 | 120.0° | 120.0° |
| C42 | C44 | H441 | H443 | 120.0° | 120.0° |
| C42 | C44 | H442 | H443 | 119.9° | 120.0° |
| C44 | C42 | C41 | H411 | 62.7° | 62.7° |
| C44 | C42 | C41 | H412 | 177.0° | 177.0° |
| C42 | C41 | O33 | H411 | 120.0° | 120.0° |
| C42 | C41 | O33 | H412 | 119.6° | 119.6° |
| C42 | C41 | O33 | P3 | 156.2° | 156.2° |
| C41 | C42 | C45 | H45 | 50.0° | 50.0° |
| C41 | C42 | C43 | H431 | 56.3° | 56.3° |
| C41 | C42 | C43 | H432 | 176.3° | 176.3° |
| C41 | C42 | C43 | H433 | 63.7° | 63.7° |
| C41 | C42 | C44 | H441 | 145.1° | 145.1° |
| C41 | C42 | C44 | H442 | 25.1° | 25.1° |
| C41 | C42 | C44 | H443 | 94.9° | 94.9° |
| C42 | C41 | H411 | H412 | 119.6° | 119.6° |
| C41 | O33 | P3 | O31 | 159.4° | 159.4° |
| C41 | O33 | P3 | O32 | 68.7° | 68.7° |
| C41 | O33 | P3 | O24 | 41.7° | 41.7° |
| O33 | C41 | H411 | H412 | 119.6° | 119.6° |
| O33 | P3 | O31 | O32 | 125.9° | 125.9° |
| O33 | P3 | O31 | O24 | 114.2° | 114.2° |
| O33 | P3 | O32 | O24 | 110.7° | 110.7° |
| O33 | P3 | O24 | P2 | 156.5° | 156.5° |
| P3 | O33 | C41 | H411 | 83.8° | 83.8° |
| P3 | O33 | C41 | H412 | 36.6° | 36.6° |
| O33 | P3 | O32 | H32 | 68.8° | 68.8° |
| O31 | P3 | O32 | O24 | 122.9° | 122.9° |
| O31 | P3 | O24 | P2 | 39.0° | 39.0° |
| O31 | P3 | O32 | H32 | 164.8° | 164.8° |
| O32 | P3 | O24 | P2 | 89.8° | 89.8° |
| P3 | O24 | P2 | O22 | 91.1° | 91.1° |
| P3 | O24 | P2 | O23 | 41.6° | 41.6° |
| P3 | O24 | P2 | O21 | 156.2° | 156.2° |
| O24 | P3 | O32 | H32 | 41.9° | 41.9° |
| O24 | P2 | O22 | O23 | 128.1° | 128.1° |
| O24 | P2 | O22 | O21 | 101.1° | 101.1° |
| O24 | P2 | O23 | O21 | 102.1° | 102.1° |
| O24 | P2 | O21 | C15 | 105.8° | 105.8° |
| O24 | P2 | O23 | H23 | 97.3° | 97.3° |
| O22 | P2 | O23 | O21 | 130.0° | 130.0° |
| O22 | P2 | O21 | C15 | 6.6° | 6.6° |
| O22 | P2 | O23 | H23 | 30.6° | 30.6° |
| O23 | P2 | O21 | C15 | 140.9° | 140.9° |
| P2 | O21 | C15 | C14 | 164.6° | 164.6° |
| O21 | P2 | O23 | H23 | 160.6° | 160.6° |
| P2 | O21 | C15 | H151 | 44.6° | 44.6° |
| P2 | O21 | C15 | H152 | 76.3° | 76.3° |
| O21 | C15 | C14 | H151 | 120.0° | 120.0° |
| O21 | C15 | C14 | H152 | 119.1° | 119.1° |
| O21 | C15 | C14 | O17 | 60.9° | 60.9° |
| O21 | C15 | C14 | C13 | 57.8° | 57.8° |
| O21 | C15 | H151 | H152 | 119.1° | 119.1° |
| O21 | C15 | C14 | H14 | 178.1° | 178.1° |
| C15 | C14 | O17 | C13 | 119.0° | 119.0° |
| C15 | C14 | O17 | H14 | 120.6° | 120.6° |
| C15 | C14 | C13 | H14 | 120.7° | 120.7° |
| C15 | C14 | O17 | C11 | 119.6° | 119.6° |
| C15 | C14 | C13 | O13 | 139.6° | 139.6° |
| C15 | C14 | C13 | C12 | 99.9° | 99.9° |
| C14 | C15 | H151 | H152 | 119.1° | 119.1° |
| C15 | C14 | C13 | H13 | 22.8° | 22.8° |
| O17 | C14 | C13 | H14 | 121.0° | 121.0° |
| O17 | C14 | C13 | O13 | 102.1° | 102.1° |
| O17 | C14 | C13 | C12 | 18.5° | 18.5° |
| C14 | O17 | C11 | C12 | 18.8° | 18.8° |
| C14 | O17 | C11 | N1 | 135.5° | 135.5° |
| O17 | C14 | C15 | H151 | 179.1° | 179.1° |
| O17 | C14 | C15 | H152 | 58.1° | 58.1° |
| O17 | C14 | C13 | H13 | 141.1° | 141.1° |
| C14 | O17 | C11 | H11 | 104.1° | 104.1° |
| C13 | C14 | O17 | C11 | 0.6° | 0.6° |
| C14 | C13 | O13 | C12 | 113.4° | 113.4° |
| C14 | C13 | O13 | H13 | 123.5° | 123.5° |
| C14 | C13 | C12 | H13 | 123.1° | 123.1° |
| C14 | C13 | O13 | P1 | 90.6° | 90.6° |
| C14 | C13 | C12 | O12 | 153.3° | 153.3° |
| C14 | C13 | C12 | C11 | 28.7° | 28.7° |
| C13 | C14 | C15 | H151 | 62.3° | 62.3° |
| C13 | C14 | C15 | H152 | 176.8° | 176.8° |
| C14 | C13 | C12 | H12 | 89.4° | 89.4° |
| O17 | C11 | C12 | C13 | 30.6° | 30.6° |
| O17 | C11 | C12 | O12 | 149.0° | 149.0° |
| O17 | C11 | C12 | N1 | 116.9° | 116.9° |
| O17 | C11 | C12 | H11 | 122.7° | 122.7° |
| O17 | C11 | N1 | H11 | 123.1° | 123.1° |
| O17 | C11 | N1 | C1 | 53.6° | 53.6° |
| O17 | C11 | N1 | C5 | 130.9° | 130.9° |
| C11 | O17 | C14 | H14 | 119.7° | 119.7° |
| O17 | C11 | C12 | H12 | 93.8° | 93.8° |
| O13 | C13 | C12 | H13 | 116.8° | 116.8° |
| C13 | O13 | P1 | O16 | 59.0° | 59.0° |
| C13 | O13 | P1 | O14 | 174.6° | 174.6° |
| C13 | O13 | P1 | O15 | 59.7° | 59.7° |
| O13 | C13 | C12 | O12 | 33.2° | 33.2° |
| O13 | C13 | C12 | C11 | 91.3° | 91.3° |
| O13 | C13 | C14 | H14 | 18.9° | 18.9° |
| O13 | C13 | C12 | H12 | 150.5° | 150.5° |
| C12 | C13 | O13 | P1 | 155.9° | 155.9° |
| C13 | C12 | O12 | C11 | 117.5° | 117.5° |
| C13 | C12 | O12 | H12 | 124.4° | 124.4° |
| C13 | C12 | C11 | H12 | 124.4° | 124.4° |
| C13 | C12 | C11 | N1 | 147.5° | 147.5° |
| C12 | C13 | C14 | H14 | 139.5° | 139.5° |
| C13 | C12 | C11 | H11 | 92.1° | 92.1° |
| C13 | C12 | O12 | HF | 58.6° | 58.6° |
| O13 | P1 | O16 | O14 | 115.5° | 115.5° |
| O13 | P1 | O16 | O15 | 124.0° | 124.0° |
| O13 | P1 | O14 | O15 | 127.3° | 127.3° |
| P1 | O13 | C13 | H13 | 32.9° | 32.9° |
| O13 | P1 | O16 | H16 | 100.4° | 100.4° |
| O13 | P1 | O14 | HE | 130.5° | 130.5° |
| O16 | P1 | O14 | O15 | 116.6° | 116.6° |
| O16 | P1 | O14 | HE | 14.5° | 14.5° |
| O14 | P1 | O16 | H16 | 144.1° | 144.1° |
| O15 | P1 | O16 | H16 | 23.7° | 23.7° |
| O15 | P1 | O14 | HE | 102.2° | 102.2° |
| O12 | C12 | C11 | H12 | 117.2° | 117.2° |
| O12 | C12 | C11 | N1 | 94.1° | 94.1° |
| O12 | C12 | C13 | H13 | 83.6° | 83.6° |
| O12 | C12 | C11 | H11 | 26.3° | 26.3° |
| C12 | C11 | N1 | H11 | 123.3° | 123.3° |
| C12 | C11 | N1 | C1 | 60.0° | 60.0° |
| C12 | C11 | N1 | C5 | 115.6° | 115.6° |
| C11 | C12 | C13 | H13 | 151.9° | 151.9° |
| C11 | C12 | O12 | HF | 176.1° | 176.1° |
| C11 | N1 | C1 | C5 | 176.3° | 176.3° |
| C11 | N1 | C1 | N2 | 177.7° | 177.7° |
| C11 | N1 | C5 | C2 | 177.2° | 177.2° |
| C11 | N1 | C5 | N5 | 3.0° | 3.0° |
| N1 | C11 | C12 | H12 | 23.1° | 23.1° |
| C11 | N1 | C1 | H1 | 2.3° | 2.3° |
| N1 | C1 | N2 | H1 | 180.0° | 180.0° |
| N1 | C1 | N2 | C2 | 1.2° | 1.2° |
| C1 | N1 | C5 | C2 | 0.9° | 0.9° |
| C1 | N1 | C5 | N5 | 179.2° | 179.2° |
| C1 | N1 | C11 | H11 | 176.7° | 176.7° |
| C5 | N1 | C1 | N2 | 1.4° | 1.4° |
| N1 | C5 | C2 | N2 | 0.2° | 0.2° |
| N1 | C5 | C2 | N5 | 179.9° | 179.9° |
| N1 | C5 | C2 | C3 | 179.6° | 179.6° |
| N1 | C5 | N5 | C4 | 179.3° | 179.3° |
| C5 | N1 | C11 | H11 | 7.7° | 7.7° |
| C5 | N1 | C1 | H1 | 178.6° | 178.6° |
| C1 | N2 | C2 | C5 | 0.6° | 0.6° |
| C1 | N2 | C2 | C3 | 178.7° | 178.7° |
| N2 | C2 | C5 | C3 | 179.4° | 179.4° |
| N2 | C2 | C5 | N5 | 179.9° | 179.9° |
| N2 | C2 | C3 | N4 | 179.6° | 179.6° |
| N2 | C2 | C3 | N3 | 0.3° | 0.3° |
| C2 | N2 | C1 | H1 | 178.8° | 178.8° |
| C2 | C5 | N5 | C4 | 0.6° | 0.6° |
| C5 | C2 | C3 | N4 | 1.1° | 1.1° |
| C5 | C2 | C3 | N3 | 179.5° | 179.5° |
| C3 | C2 | C5 | N5 | 0.5° | 0.5° |
| C2 | C3 | N4 | C4 | 0.7° | 0.7° |
| C2 | C3 | N4 | N3 | 179.4° | 179.4° |
| C2 | C3 | N3 | H3N1 | 158.0° | 158.0° |
| C2 | C3 | N3 | H3N2 | 38.0° | 38.0° |
| C5 | N5 | C4 | N4 | 1.0° | 1.0° |
| C5 | N5 | C4 | H4 | 179.0° | 179.0° |
| N5 | C4 | N4 | H4 | 180.0° | 180.0° |
| N5 | C4 | N4 | C3 | 0.3° | 0.3° |
| C4 | N4 | C3 | N3 | 179.9° | 179.9° |
| C3 | N4 | C4 | H4 | 179.7° | 179.7° |
| N4 | C3 | N3 | H3N1 | 21.3° | 21.3° |
| N4 | C3 | N3 | H3N2 | 141.3° | 141.3° |
| C3 | N3 | H3N1 | H3N2 | 120.0° | 120.0° |
| H56 | O56 | C66 | H66 | 46.8° | 46.8° |
| H66 | C66 | C65 | H65 | 178.5° | 178.5° |
| H66 | C66 | C61 | H61 | 175.4° | 175.4° |
| H65 | C65 | O55 | H55 | 129.4° | 129.4° |
| H65 | C65 | C64 | H64 | 176.5° | 176.5° |
| H61 | C61 | C62 | H62 | 178.7° | 178.7° |
| H64 | C64 | N53 | H531 | 17.7° | 17.6° |
| H64 | C64 | N53 | H532 | 102.3° | 102.3° |
| H64 | C64 | C63 | H631 | 171.2° | 171.2° |
| H64 | C64 | C63 | H632 | 50.0° | 50.0° |
| H631 | C63 | C62 | H62 | 176.2° | 176.2° |
| H632 | C63 | C62 | H62 | 55.0° | 55.0° |
| H62 | C62 | N52 | H521 | 132.2° | 132.2° |
| H62 | C62 | N52 | H522 | 12.2° | 12.2° |
| H60 | C60 | C55 | HA | 51.0° | 51.1° |
| HA | C55 | N50 | H501 | 46.8° | 46.8° |
| HA | C55 | N50 | H502 | 166.8° | 166.8° |
| HA | C55 | C56 | HB | 175.8° | 175.7° |
| H59 | C59 | C57 | H57 | 178.3° | 178.3° |
| H59 | C59 | C58 | H581 | 68.2° | 68.2° |
| H59 | C59 | C58 | H582 | 52.3° | 52.3° |
| HB | C56 | O51 | H51 | 24.5° | 24.5° |
| HB | C56 | C57 | H57 | 179.3° | 179.3° |
| H57 | C57 | O52 | H52 | 118.7° | 118.7° |
| H581 | C58 | N51 | HC | 117.9° | 117.9° |
| H582 | C58 | N51 | HC | 121.6° | 121.6° |
| HA1 | C53 | C52 | HB1 | 41.5° | 41.5° |
| HA1 | C53 | C52 | HC2 | 79.9° | 79.9° |
| HB2 | C53 | C52 | HB1 | 163.1° | 163.1° |
| HB2 | C53 | C52 | HC2 | 41.6° | 41.6° |
| H511 | C51 | C50 | H50 | 49.2° | 49.3° |
| H512 | C51 | C50 | H50 | 167.4° | 167.4° |
| H481 | C48 | C47 | H471 | 46.5° | 46.5° |
| H481 | C48 | C47 | H472 | 75.0° | 75.0° |
| H482 | C48 | C47 | H471 | 166.8° | 166.8° |
| H482 | C48 | C47 | H472 | 45.3° | 45.3° |
| H471 | C47 | N46 | H46 | 10.1° | 10.1° |
| H472 | C47 | N46 | H46 | 131.6° | 131.6° |
| H45 | C45 | O45 | HD | 18.0° | 18.0° |
| H431 | C43 | H432 | H433 | 120.0° | 120.0° |
| H441 | C44 | H442 | H443 | 120.0° | 120.0° |
| H151 | C15 | C14 | H14 | 58.1° | 58.1° |
| H152 | C15 | C14 | H14 | 62.8° | 62.8° |
| H14 | C14 | C13 | H13 | 97.9° | 97.9° |
| H13 | C13 | C12 | H12 | 33.7° | 33.7° |
| H11 | C11 | C12 | H12 | 143.5° | 143.5° |
| H12 | C12 | O12 | HF | 65.7° | 65.7° |
