4UR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O25 | P24 | doub | 1.48Å | 1.52Å | |
| C22 | O23 | sing | 1.43Å | 1.40Å | |
| C22 | C21 | sing | 1.53Å | 1.54Å | |
| O26 | P24 | sing | 1.61Å | 1.49Å | |
| P24 | O23 | sing | 1.61Å | 1.69Å | |
| P24 | O27 | sing | 1.60Å | 1.66Å | |
| O31 | C21 | sing | 1.43Å | 1.45Å | |
| O31 | C32 | sing | 1.43Å | 1.42Å | |
| C21 | C19 | sing | 1.54Å | 1.52Å | |
| N35 | C34 | doub | 1.30Å | 1.36Å | Aromatic |
| N35 | C36 | sing | 1.35Å | 1.41Å | Aromatic |
| C34 | N33 | sing | 1.36Å | 1.40Å | Aromatic |
| N38 | C37 | sing | 1.38Å | 1.41Å | |
| C36 | C37 | doub | 1.40Å | 1.45Å | Aromatic |
| C36 | C42 | sing | 1.40Å | 1.44Å | Aromatic |
| N33 | C32 | sing | 1.46Å | 1.54Å | |
| N33 | C42 | sing | 1.37Å | 1.43Å | Aromatic |
| C32 | C18 | sing | 1.54Å | 1.54Å | |
| C37 | N39 | sing | 1.33Å | 1.38Å | Aromatic |
| O27 | C28 | sing | 1.43Å | 1.38Å | |
| C42 | N41 | doub | 1.33Å | 1.39Å | Aromatic |
| C19 | O20 | sing | 1.43Å | 1.42Å | |
| C19 | C18 | sing | 1.55Å | 1.54Å | |
| N39 | C40 | doub | 1.32Å | 1.39Å | Aromatic |
| N41 | C40 | sing | 1.32Å | 1.36Å | Aromatic |
| O30 | C29 | sing | 1.43Å | 1.41Å | |
| C18 | O17 | sing | 1.42Å | 1.38Å | |
| C28 | C29 | sing | 1.55Å | 1.52Å | |
| C28 | C11 | sing | 1.53Å | 1.51Å | |
| C29 | C09 | sing | 1.54Å | 1.52Å | |
| N01 | C02 | sing | 1.37Å | 1.41Å | |
| C02 | N45 | sing | 1.36Å | 1.42Å | |
| C02 | N03 | doub | 1.31Å | 1.37Å | |
| N45 | C43 | sing | 1.35Å | 1.46Å | |
| N03 | C04 | sing | 1.34Å | 1.41Å | |
| C43 | O44 | doub | 1.22Å | 1.22Å | |
| C43 | C05 | sing | 1.41Å | 1.45Å | |
| O17 | P14 | sing | 1.61Å | 1.67Å | |
| C04 | C05 | doub | 1.40Å | 1.41Å | Aromatic |
| C04 | N08 | sing | 1.37Å | 1.39Å | Aromatic |
| C05 | N06 | sing | 1.36Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | O10 | sing | 1.43Å | 1.46Å | |
| N08 | C09 | sing | 1.46Å | 1.48Å | |
| N08 | C07 | sing | 1.36Å | 1.42Å | Aromatic |
| C09 | O10 | sing | 1.43Å | 1.42Å | |
| N06 | C07 | doub | 1.30Å | 1.35Å | Aromatic |
| C12 | O13 | sing | 1.43Å | 1.40Å | |
| O13 | P14 | sing | 1.61Å | 1.63Å | |
| O15 | P14 | doub | 1.48Å | 1.54Å | |
| P14 | O16 | sing | 1.61Å | 1.49Å | |
| C21 | H211 | sing | 1.08Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| N01 | H012 | sing | 0.97Å | 1.00Å | |
| N01 | H011 | sing | 0.97Å | 1.00Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| O16 | H1 | sing | 0.97Å | 0.95Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.08Å | 1.10Å | |
| O20 | H201 | sing | 0.97Å | 0.95Å | |
| O26 | H2 | sing | 0.97Å | 0.95Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| O30 | H301 | sing | 0.97Å | 0.95Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| N38 | H381 | sing | 0.97Å | 1.00Å | |
| N38 | H382 | sing | 0.97Å | 1.00Å | |
| C40 | H401 | sing | 1.08Å | 1.08Å | |
| N45 | H451 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O25 | P24 | O26 | 116.8° | 108.8° |
| O25 | P24 | O23 | 104.4° | 109.6° |
| O25 | P24 | O27 | 106.0° | 109.8° |
| O23 | C22 | C21 | 109.3° | 110.1° |
| C22 | O23 | P24 | 120.0° | 123.4° |
| O23 | C22 | H221 | 109.5° | 109.2° |
| O23 | C22 | H222 | 109.5° | 110.1° |
| C22 | C21 | O31 | 111.3° | 110.0° |
| C22 | C21 | C19 | 111.4° | 109.0° |
| C22 | C21 | H211 | 108.9° | 110.7° |
| C21 | C22 | H221 | 109.5° | 109.2° |
| C21 | C22 | H222 | 109.5° | 109.3° |
| O26 | P24 | O23 | 113.3° | 109.4° |
| O26 | P24 | O27 | 112.7° | 109.1° |
| P24 | O26 | H2 | 109.5° | 114.0° |
| O23 | P24 | O27 | 102.2° | 110.2° |
| P24 | O27 | C28 | 121.9° | 125.6° |
| C21 | O31 | C32 | 110.2° | 111.3° |
| O31 | C21 | C19 | 106.1° | 106.4° |
| O31 | C21 | H211 | 110.1° | 110.6° |
| O31 | C32 | N33 | 107.1° | 109.7° |
| O31 | C32 | C18 | 107.2° | 106.7° |
| O31 | C32 | H321 | 110.8° | 109.9° |
| C21 | C19 | O20 | 109.8° | 110.2° |
| C21 | C19 | C18 | 104.3° | 102.4° |
| C19 | C21 | H211 | 109.1° | 110.1° |
| C21 | C19 | H191 | 109.7° | 110.9° |
| C34 | N35 | C36 | 106.1° | 109.4° |
| N35 | C34 | N33 | 113.4° | 110.0° |
| N35 | C34 | H341 | 123.3° | 125.0° |
| N35 | C36 | C37 | 132.3° | 134.7° |
| N35 | C36 | C42 | 108.5° | 107.1° |
| C34 | N33 | C32 | 122.8° | 126.3° |
| C34 | N33 | C42 | 105.0° | 107.4° |
| N33 | C34 | H341 | 123.3° | 125.0° |
| N38 | C37 | C36 | 123.8° | 120.8° |
| N38 | C37 | N39 | 117.7° | 120.8° |
| C37 | N38 | H381 | 109.5° | 120.1° |
| C37 | N38 | H382 | 109.5° | 120.0° |
| C37 | C36 | C42 | 119.1° | 118.2° |
| C36 | C37 | N39 | 118.5° | 118.5° |
| C36 | C42 | N33 | 107.0° | 106.0° |
| C36 | C42 | N41 | 121.7° | 119.1° |
| C32 | N33 | C42 | 132.2° | 126.3° |
| N33 | C32 | C18 | 113.6° | 110.0° |
| N33 | C32 | H321 | 109.1° | 110.6° |
| N33 | C42 | N41 | 131.2° | 134.9° |
| C32 | C18 | C19 | 100.3° | 102.2° |
| C32 | C18 | O17 | 111.4° | 112.0° |
| C32 | C18 | H181 | 110.0° | 109.9° |
| C18 | C32 | H321 | 109.1° | 109.8° |
| C37 | N39 | C40 | 117.6° | 121.1° |
| O27 | C28 | C29 | 111.9° | 109.8° |
| O27 | C28 | C11 | 116.9° | 111.0° |
| O27 | C28 | H281 | 110.4° | 110.7° |
| C42 | N41 | C40 | 114.7° | 120.6° |
| O20 | C19 | C18 | 112.1° | 110.3° |
| O20 | C19 | H191 | 111.3° | 111.2° |
| C19 | O20 | H201 | 109.5° | 114.0° |
| C19 | C18 | O17 | 111.8° | 110.8° |
| C19 | C18 | H181 | 110.1° | 110.1° |
| C18 | C19 | H191 | 109.5° | 111.5° |
| N39 | C40 | N41 | 128.3° | 122.5° |
| N39 | C40 | H401 | 115.8° | 118.7° |
| N41 | C40 | H401 | 115.9° | 118.8° |
| O30 | C29 | C28 | 109.3° | 109.9° |
| O30 | C29 | C09 | 114.9° | 110.2° |
| O30 | C29 | H291 | 110.9° | 110.6° |
| C29 | O30 | H301 | 109.5° | 114.0° |
| C18 | O17 | P14 | 118.1° | 123.2° |
| O17 | C18 | H181 | 112.6° | 111.5° |
| C29 | C28 | C11 | 99.9° | 105.1° |
| C28 | C29 | C09 | 102.5° | 104.4° |
| C29 | C28 | H281 | 108.5° | 109.4° |
| C28 | C29 | H291 | 109.4° | 110.7° |
| C28 | C11 | C12 | 113.0° | 110.5° |
| C28 | C11 | O10 | 103.6° | 108.2° |
| C11 | C28 | H281 | 108.5° | 110.7° |
| C28 | C11 | H111 | 109.5° | 110.0° |
| C29 | C09 | N08 | 110.0° | 109.9° |
| C29 | C09 | O10 | 104.7° | 107.5° |
| C29 | C09 | H091 | 108.9° | 109.7° |
| C09 | C29 | H291 | 109.4° | 110.9° |
| N01 | C02 | N45 | 117.2° | 119.1° |
| N01 | C02 | N03 | 119.1° | 119.0° |
| C02 | N01 | H012 | 120.0° | 120.0° |
| C02 | N01 | H011 | 120.0° | 120.0° |
| N45 | C02 | N03 | 123.7° | 121.9° |
| C02 | N45 | C43 | 122.1° | 120.3° |
| C02 | N45 | H451 | 119.0° | 119.8° |
| C02 | N03 | C04 | 114.9° | 121.1° |
| N45 | C43 | O44 | 115.3° | 120.8° |
| N45 | C43 | C05 | 113.9° | 118.4° |
| C43 | N45 | H451 | 118.9° | 119.9° |
| N03 | C04 | C05 | 125.2° | 119.8° |
| N03 | C04 | N08 | 129.1° | 134.2° |
| O44 | C43 | C05 | 130.8° | 120.8° |
| C43 | C05 | C04 | 120.1° | 118.5° |
| C43 | C05 | N06 | 129.2° | 134.2° |
| O17 | P14 | O13 | 110.3° | 109.6° |
| O17 | P14 | O15 | 101.9° | 109.3° |
| O17 | P14 | O16 | 112.9° | 109.8° |
| C05 | C04 | N08 | 105.7° | 106.0° |
| C04 | C05 | N06 | 110.7° | 107.3° |
| C04 | N08 | C09 | 129.0° | 126.2° |
| C04 | N08 | C07 | 107.0° | 107.5° |
| C05 | N06 | C07 | 105.0° | 109.3° |
| C12 | C11 | O10 | 111.0° | 109.5° |
| C11 | C12 | O13 | 112.7° | 110.0° |
| C12 | C11 | H111 | 109.2° | 109.9° |
| C11 | C12 | H121 | 108.6° | 109.8° |
| C11 | C12 | H122 | 108.7° | 109.3° |
| C11 | O10 | C09 | 110.2° | 109.3° |
| O10 | C11 | H111 | 110.3° | 108.7° |
| C09 | N08 | C07 | 124.0° | 126.3° |
| N08 | C09 | O10 | 113.5° | 110.2° |
| N08 | C09 | H091 | 109.4° | 110.0° |
| N08 | C07 | N06 | 111.7° | 109.8° |
| N08 | C07 | H071 | 124.2° | 125.1° |
| O10 | C09 | H091 | 110.2° | 109.5° |
| N06 | C07 | H071 | 124.1° | 125.1° |
| C12 | O13 | P14 | 129.1° | 123.3° |
| O13 | C12 | H121 | 108.7° | 109.1° |
| O13 | C12 | H122 | 108.6° | 109.9° |
| O13 | P14 | O15 | 106.9° | 109.2° |
| O13 | P14 | O16 | 106.9° | 109.5° |
| O15 | P14 | O16 | 117.7° | 109.3° |
| P14 | O16 | H1 | 109.5° | 114.0° |
| H221 | C22 | H222 | 109.5° | 108.9° |
| H012 | N01 | H011 | 120.0° | 119.9° |
| H121 | C12 | H122 | 109.5° | 108.8° |
| H381 | N38 | H382 | 109.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O25 | P24 | O23 | C22 | 13.7° | 90.3° |
| O25 | P24 | O26 | O23 | 121.5° | 119.7° |
| O25 | P24 | O26 | O27 | 123.0° | 119.7° |
| O25 | P24 | O23 | O27 | 110.3° | 120.9° |
| O25 | P24 | O27 | C28 | 163.4° | 49.6° |
| O25 | P24 | O26 | H2 | 0.0° | 59.7° |
| O23 | C22 | C21 | H221 | 120.0° | 119.9° |
| O23 | C22 | C21 | H222 | 120.0° | 121.0° |
| C22 | O23 | P24 | O26 | 141.8° | 28.9° |
| C22 | O23 | P24 | O27 | 96.6° | 148.8° |
| O23 | C22 | C21 | O31 | 54.3° | 77.9° |
| O23 | C22 | C21 | C19 | 63.8° | 38.3° |
| O23 | C22 | C21 | H211 | 175.9° | 159.5° |
| O23 | C22 | H221 | H222 | 120.1° | 120.2° |
| C21 | C22 | O23 | P24 | 153.9° | 111.7° |
| C22 | C21 | O31 | C19 | 121.3° | 117.9° |
| C22 | C21 | O31 | H211 | 120.8° | 122.6° |
| C22 | C21 | O31 | C32 | 117.1° | 106.2° |
| C22 | C21 | C19 | H211 | 120.2° | 121.6° |
| C22 | C21 | C19 | O20 | 142.9° | 151.9° |
| C22 | C21 | C19 | C18 | 96.9° | 90.7° |
| C21 | C22 | H221 | H222 | 120.0° | 119.3° |
| C22 | C21 | C19 | H191 | 20.3° | 28.3° |
| O26 | P24 | O23 | O27 | 121.6° | 119.9° |
| O26 | P24 | O27 | C28 | 34.5° | 168.7° |
| O23 | P24 | O27 | C28 | 87.5° | 71.3° |
| P24 | O23 | C22 | H221 | 33.9° | 128.4° |
| P24 | O23 | C22 | H222 | 86.2° | 8.9° |
| O23 | P24 | O26 | H2 | 121.5° | 60.0° |
| P24 | O27 | C28 | C29 | 80.4° | 168.7° |
| P24 | O27 | C28 | C11 | 165.2° | 53.0° |
| P24 | O27 | C28 | H281 | 40.5° | 70.3° |
| O27 | P24 | O26 | H2 | 123.0° | 179.4° |
| O31 | C21 | C19 | H211 | 118.6° | 119.9° |
| C21 | O31 | C32 | N33 | 140.2° | 129.0° |
| C21 | O31 | C32 | C18 | 18.0° | 9.8° |
| O31 | C21 | C19 | O20 | 95.8° | 89.6° |
| O31 | C21 | C19 | C18 | 24.4° | 27.8° |
| O31 | C21 | C22 | H221 | 174.3° | 41.9° |
| O31 | C21 | C22 | H222 | 65.6° | 161.0° |
| O31 | C21 | C19 | H191 | 141.6° | 146.8° |
| C21 | O31 | C32 | H321 | 100.9° | 109.2° |
| C32 | O31 | C21 | C19 | 4.2° | 11.6° |
| O31 | C32 | N33 | C34 | 57.2° | 23.9° |
| O31 | C32 | N33 | C18 | 118.1° | 117.1° |
| O31 | C32 | N33 | H321 | 120.0° | 121.4° |
| O31 | C32 | N33 | C42 | 121.2° | 156.4° |
| O31 | C32 | C18 | H321 | 120.0° | 119.0° |
| O31 | C32 | C18 | C19 | 31.8° | 26.7° |
| O31 | C32 | C18 | O17 | 150.2° | 145.4° |
| C32 | O31 | C21 | H211 | 122.1° | 131.2° |
| O31 | C32 | C18 | H181 | 84.2° | 90.1° |
| C21 | C19 | C18 | C32 | 33.3° | 32.3° |
| C21 | C19 | O20 | C18 | 115.3° | 112.4° |
| C21 | C19 | O20 | H191 | 121.6° | 123.4° |
| C21 | C19 | C18 | H191 | 117.3° | 118.6° |
| C21 | C19 | C18 | O17 | 151.5° | 151.9° |
| C19 | C21 | C22 | H221 | 56.2° | 158.2° |
| C19 | C21 | C22 | H222 | 176.2° | 82.8° |
| C21 | C19 | C18 | H181 | 82.6° | 84.3° |
| C21 | C19 | O20 | H201 | 180.0° | 61.5° |
| N35 | C34 | N33 | H341 | 180.0° | 179.9° |
| C34 | N35 | C36 | C37 | 179.1° | 180.0° |
| C34 | N35 | C36 | C42 | 0.3° | 0.2° |
| N35 | C34 | N33 | C32 | 179.0° | 180.0° |
| N35 | C34 | N33 | C42 | 0.2° | 0.3° |
| C36 | N35 | C34 | N33 | 0.3° | 0.1° |
| N35 | C36 | C37 | N38 | 1.3° | 0.0° |
| N35 | C36 | C37 | C42 | 178.8° | 179.8° |
| N35 | C36 | C42 | N33 | 0.1° | 0.3° |
| N35 | C36 | C37 | N39 | 179.7° | 180.0° |
| N35 | C36 | C42 | N41 | 179.9° | 179.7° |
| C36 | N35 | C34 | H341 | 179.7° | 180.0° |
| C34 | N33 | C42 | C36 | 0.0° | 0.4° |
| C34 | N33 | C32 | C42 | 178.4° | 179.6° |
| C34 | N33 | C32 | C18 | 61.0° | 93.2° |
| C34 | N33 | C42 | N41 | 179.7° | 179.6° |
| C34 | N33 | C32 | H321 | 177.2° | 145.3° |
| N38 | C37 | C36 | N39 | 178.9° | 179.9° |
| N38 | C37 | C36 | C42 | 179.9° | 179.8° |
| N38 | C37 | N39 | C40 | 179.3° | 180.0° |
| C37 | N38 | H381 | H382 | 120.0° | 180.0° |
| C37 | C36 | C42 | N33 | 179.2° | 179.8° |
| C37 | C36 | C42 | N41 | 1.1° | 0.5° |
| C36 | C37 | N39 | C40 | 0.3° | 0.1° |
| C36 | C37 | N38 | H381 | 178.9° | 0.0° |
| C36 | C37 | N38 | H382 | 58.9° | 179.9° |
| C36 | C42 | N33 | C32 | 178.6° | 179.9° |
| C36 | C42 | N33 | N41 | 179.7° | 179.2° |
| C42 | C36 | C37 | N39 | 1.0° | 0.2° |
| C36 | C42 | N41 | C40 | 0.5° | 0.5° |
| N33 | C32 | C18 | H321 | 121.9° | 122.0° |
| C32 | N33 | C42 | N41 | 1.0° | 0.7° |
| N33 | C32 | C18 | C19 | 149.9° | 145.7° |
| N33 | C32 | C18 | O17 | 91.7° | 95.6° |
| N33 | C32 | C18 | H181 | 33.9° | 28.9° |
| C32 | N33 | C34 | H341 | 1.0° | 0.1° |
| C42 | N33 | C32 | C18 | 120.6° | 86.4° |
| N33 | C42 | N41 | C40 | 179.8° | 179.6° |
| C42 | N33 | C32 | H321 | 1.2° | 35.1° |
| C42 | N33 | C34 | H341 | 179.8° | 179.8° |
| C32 | C18 | C19 | O20 | 85.4° | 85.0° |
| C32 | C18 | C19 | O17 | 118.2° | 119.5° |
| C32 | C18 | C19 | H181 | 115.9° | 116.7° |
| C32 | C18 | O17 | H181 | 124.2° | 123.6° |
| C32 | C18 | O17 | P14 | 123.6° | 130.8° |
| C32 | C18 | C19 | H191 | 150.6° | 150.9° |
| C37 | N39 | C40 | N41 | 0.3° | 0.0° |
| N39 | C37 | N38 | H381 | 0.0° | 180.0° |
| N39 | C37 | N38 | H382 | 120.0° | 0.0° |
| C37 | N39 | C40 | H401 | 179.7° | 180.0° |
| O27 | C28 | C29 | O30 | 44.1° | 7.0° |
| O27 | C28 | C29 | C11 | 124.5° | 119.4° |
| O27 | C28 | C29 | H281 | 122.0° | 121.7° |
| O27 | C28 | C11 | H281 | 125.6° | 123.4° |
| O27 | C28 | C29 | C09 | 166.5° | 111.2° |
| O27 | C28 | C11 | C12 | 79.5° | 115.5° |
| O27 | C28 | C11 | O10 | 160.2° | 124.6° |
| O27 | C28 | C11 | H111 | 42.5° | 6.0° |
| O27 | C28 | C29 | H291 | 77.5° | 129.4° |
| C42 | N41 | C40 | N39 | 0.2° | 0.3° |
| C42 | N41 | C40 | H401 | 179.8° | 179.7° |
| O20 | C19 | C18 | H191 | 124.0° | 124.1° |
| O20 | C19 | C18 | O17 | 32.8° | 34.6° |
| O20 | C19 | C21 | H211 | 22.7° | 30.3° |
| O20 | C19 | C18 | H181 | 158.7° | 158.3° |
| C19 | C18 | O17 | H181 | 124.5° | 123.0° |
| C19 | C18 | O17 | P14 | 125.2° | 115.8° |
| C18 | C19 | C21 | H211 | 143.0° | 147.7° |
| C18 | C19 | O20 | H201 | 64.6° | 173.9° |
| C19 | C18 | C32 | H321 | 88.2° | 92.3° |
| N39 | C40 | N41 | H401 | 180.0° | 180.0° |
| O30 | C29 | C28 | C09 | 122.3° | 118.2° |
| O30 | C29 | C28 | H291 | 121.6° | 122.4° |
| O30 | C29 | C28 | C11 | 80.4° | 126.4° |
| O30 | C29 | C09 | H291 | 125.5° | 122.8° |
| O30 | C29 | C09 | N08 | 149.0° | 102.1° |
| O30 | C29 | C09 | O10 | 88.7° | 137.9° |
| O30 | C29 | C28 | H281 | 166.2° | 114.7° |
| O30 | C29 | C09 | H091 | 29.1° | 18.9° |
| C18 | O17 | P14 | O13 | 29.5° | 24.7° |
| C18 | O17 | P14 | O15 | 83.7° | 95.0° |
| C18 | O17 | P14 | O16 | 149.1° | 145.0° |
| O17 | C18 | C19 | H191 | 91.2° | 89.5° |
| O17 | C18 | C32 | H321 | 30.2° | 26.4° |
| C29 | C28 | C11 | H281 | 113.5° | 118.0° |
| C28 | C29 | C09 | H291 | 116.0° | 119.3° |
| C29 | C28 | C11 | C12 | 159.6° | 125.9° |
| C29 | C28 | C11 | O10 | 39.3° | 6.0° |
| C28 | C29 | C09 | N08 | 92.6° | 139.9° |
| C28 | C29 | C09 | O10 | 29.7° | 20.0° |
| C28 | C29 | C09 | H091 | 147.5° | 99.0° |
| C29 | C28 | C11 | H111 | 78.4° | 112.6° |
| C28 | C29 | O30 | H301 | 180.0° | 180.0° |
| C11 | C28 | C29 | C09 | 42.0° | 8.2° |
| C28 | C11 | C12 | O10 | 116.0° | 119.1° |
| C28 | C11 | C12 | H111 | 122.2° | 121.6° |
| C28 | C11 | O10 | H111 | 117.2° | 119.4° |
| C28 | C11 | O10 | C09 | 22.2° | 19.4° |
| C28 | C11 | C12 | O13 | 58.4° | 123.9° |
| C28 | C11 | C12 | H121 | 178.9° | 3.8° |
| C28 | C11 | C12 | H122 | 62.0° | 115.4° |
| C11 | C28 | C29 | H291 | 158.0° | 111.2° |
| C29 | C09 | N08 | C04 | 88.4° | 85.3° |
| C29 | C09 | O10 | C11 | 4.8° | 24.9° |
| C29 | C09 | N08 | O10 | 117.0° | 118.3° |
| C29 | C09 | N08 | H091 | 119.5° | 120.8° |
| C29 | C09 | N08 | C07 | 89.2° | 94.7° |
| C29 | C09 | O10 | H091 | 116.9° | 119.1° |
| C09 | C29 | C28 | H281 | 71.5° | 127.1° |
| C09 | C29 | O30 | H301 | 65.4° | 65.5° |
| N01 | C02 | N45 | N03 | 179.7° | 179.7° |
| N01 | C02 | N45 | C43 | 179.4° | 179.7° |
| N01 | C02 | N03 | C04 | 179.5° | 180.0° |
| C02 | N01 | H012 | H011 | 180.0° | 180.0° |
| N01 | C02 | N45 | H451 | 0.6° | 0.0° |
| C02 | N45 | C43 | H451 | 180.0° | 179.6° |
| N45 | C02 | N03 | C04 | 0.2° | 0.3° |
| C02 | N45 | C43 | O44 | 179.9° | 179.7° |
| C02 | N45 | C43 | C05 | 0.1° | 0.6° |
| N45 | C02 | N01 | H012 | 179.7° | 0.0° |
| N45 | C02 | N01 | H011 | 0.3° | 180.0° |
| N03 | C02 | N45 | C43 | 0.3° | 0.6° |
| C02 | N03 | C04 | C05 | 0.1° | 0.0° |
| C02 | N03 | C04 | N08 | 178.7° | 180.0° |
| N03 | C02 | N01 | H012 | 0.0° | 179.7° |
| N03 | C02 | N01 | H011 | 180.0° | 0.3° |
| N03 | C02 | N45 | H451 | 179.8° | 179.7° |
| N45 | C43 | O44 | C05 | 179.9° | 179.7° |
| N45 | C43 | C05 | C04 | 0.1° | 0.4° |
| N45 | C43 | C05 | N06 | 179.8° | 179.7° |
| N03 | C04 | C05 | C43 | 0.2° | 0.1° |
| N03 | C04 | C05 | N08 | 178.9° | 180.0° |
| N03 | C04 | C05 | N06 | 179.7° | 180.0° |
| N03 | C04 | N08 | C09 | 2.2° | 0.0° |
| N03 | C04 | N08 | C07 | 179.9° | 180.0° |
| O44 | C43 | C05 | C04 | 179.8° | 179.9° |
| O44 | C43 | C05 | N06 | 0.3° | 0.0° |
| O44 | C43 | N45 | H451 | 0.0° | 0.0° |
| C43 | C05 | C04 | N06 | 179.9° | 179.9° |
| C43 | C05 | C04 | N08 | 179.1° | 179.9° |
| C43 | C05 | N06 | C07 | 179.7° | 179.9° |
| C05 | C43 | N45 | H451 | 179.9° | 179.7° |
| O17 | P14 | O13 | C12 | 70.9° | 100.4° |
| O17 | P14 | O13 | O15 | 110.0° | 119.8° |
| O17 | P14 | O13 | O16 | 123.1° | 120.5° |
| O17 | P14 | O15 | O16 | 124.1° | 120.2° |
| O17 | P14 | O16 | H1 | 118.3° | 179.6° |
| P14 | O17 | C18 | H181 | 0.6° | 7.2° |
| C05 | C04 | N08 | C09 | 178.9° | 180.0° |
| C05 | C04 | N08 | C07 | 1.0° | 0.0° |
| C04 | C05 | N06 | C07 | 0.2° | 0.0° |
| N08 | C04 | C05 | N06 | 0.8° | 0.0° |
| C04 | N08 | C09 | C07 | 177.6° | 180.0° |
| C04 | N08 | C09 | O10 | 154.7° | 156.4° |
| C04 | N08 | C07 | N06 | 1.0° | 0.0° |
| C04 | N08 | C07 | H071 | 179.0° | 179.9° |
| C04 | N08 | C09 | H091 | 31.2° | 35.5° |
| C05 | N06 | C07 | N08 | 0.5° | 0.0° |
| C05 | N06 | C07 | H071 | 179.5° | 179.9° |
| C12 | C11 | O10 | H111 | 121.2° | 120.1° |
| C12 | C11 | O10 | C09 | 143.8° | 139.8° |
| C11 | C12 | O13 | H121 | 120.5° | 120.5° |
| C11 | C12 | O13 | H122 | 120.5° | 120.3° |
| C11 | C12 | O13 | P14 | 174.3° | 170.8° |
| C12 | C11 | C28 | H281 | 46.1° | 7.9° |
| C11 | C12 | H121 | H122 | 118.5° | 119.5° |
| C11 | O10 | C09 | N08 | 115.2° | 144.6° |
| O10 | C11 | C12 | O13 | 57.5° | 117.1° |
| O10 | C11 | C28 | H281 | 74.1° | 112.0° |
| C11 | O10 | C09 | H091 | 121.7° | 94.2° |
| O10 | C11 | C12 | H121 | 63.0° | 122.8° |
| O10 | C11 | C12 | H122 | 178.0° | 3.6° |
| N08 | C09 | O10 | H091 | 123.1° | 121.2° |
| C09 | N08 | C07 | N06 | 179.0° | 180.0° |
| C09 | N08 | C07 | H071 | 1.0° | 0.0° |
| N08 | C09 | C29 | H291 | 23.4° | 20.7° |
| C07 | N08 | C09 | O10 | 27.8° | 23.6° |
| N08 | C07 | N06 | H071 | 180.0° | 180.0° |
| C07 | N08 | C09 | H091 | 151.3° | 144.5° |
| C09 | O10 | C11 | H111 | 95.0° | 100.0° |
| O10 | C09 | C29 | H291 | 145.8° | 99.3° |
| C12 | O13 | P14 | O15 | 179.1° | 19.4° |
| C12 | O13 | P14 | O16 | 52.3° | 139.1° |
| O13 | C12 | C11 | H111 | 179.4° | 2.3° |
| O13 | C12 | H121 | H122 | 118.5° | 119.9° |
| O13 | P14 | O15 | O16 | 120.2° | 119.9° |
| P14 | O13 | C12 | H121 | 65.2° | 50.3° |
| P14 | O13 | C12 | H122 | 53.9° | 68.9° |
| O13 | P14 | O16 | H1 | 120.2° | 60.0° |
| O15 | P14 | O16 | H1 | 0.0° | 59.7° |
| H211 | C21 | C22 | H221 | 64.1° | 80.6° |
| H211 | C21 | C22 | H222 | 55.9° | 38.4° |
| H211 | C21 | C19 | H191 | 99.8° | 93.3° |
| H281 | C28 | C11 | H111 | 168.1° | 129.4° |
| H281 | C28 | C29 | H291 | 44.5° | 7.7° |
| H091 | C09 | C29 | H291 | 96.4° | 141.7° |
| H111 | C11 | C12 | H121 | 58.9° | 117.8° |
| H111 | C11 | C12 | H122 | 60.1° | 123.0° |
| H181 | C18 | C19 | H191 | 34.7° | 34.3° |
| H181 | C18 | C32 | H321 | 155.8° | 150.8° |
| H191 | C19 | O20 | H201 | 58.4° | 61.9° |
| H291 | C29 | O30 | H301 | 59.3° | 57.5° |
