PTE
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.52Å | |
C1 | O4P | sing | 1.43Å | 1.41Å | |
C1 | H11 | sing | 1.09Å | 1.10Å | |
C1 | H12 | sing | 1.09Å | 1.10Å | |
C2 | C3 | sing | 1.50Å | 1.54Å | |
C2 | O2 | sing | 1.43Å | 1.39Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C3 | S3 | sing | 1.76Å | 1.71Å | |
C3 | C4 | doub | 1.35Å | 1.38Å | |
S3 | H3 | sing | 1.34Å | 1.30Å | |
C4 | S4 | sing | 1.76Å | 1.77Å | |
C4 | C5 | sing | 1.51Å | 1.55Å | |
S4 | W1 | sing | 2.41Å | 2.29Å | |
C5 | N6 | sing | 1.48Å | 1.48Å | |
C5 | C14 | sing | 1.54Å | 1.56Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
N6 | C7 | sing | 1.41Å | 1.34Å | |
N6 | H6 | sing | 0.97Å | 1.00Å | |
C7 | C8 | sing | 1.40Å | 1.43Å | |
C7 | C12 | doub | 1.39Å | 1.43Å | |
C8 | O8 | doub | 1.22Å | 1.38Å | |
C8 | N9 | sing | 1.35Å | 1.34Å | |
N9 | C10 | sing | 1.36Å | 1.36Å | |
N9 | H9 | sing | 0.97Å | 1.00Å | |
C10 | N10 | sing | 1.37Å | 1.35Å | |
C10 | N11 | doub | 1.32Å | 1.36Å | |
N10 | H101 | sing | 0.97Å | 1.00Å | |
N10 | H102 | sing | 0.97Å | 1.00Å | |
N11 | C12 | sing | 1.34Å | 1.36Å | |
C12 | N13 | sing | 1.39Å | 1.36Å | |
N13 | C14 | sing | 1.47Å | 1.47Å | |
N13 | H13 | sing | 0.97Å | 1.00Å | |
C14 | O2 | sing | 1.43Å | 1.40Å | |
C14 | H14 | sing | 1.09Å | 1.10Å | |
C21 | C22 | sing | 1.53Å | 1.53Å | |
C21 | O8P | sing | 1.43Å | 1.42Å | |
C21 | H211 | sing | 1.09Å | 1.10Å | |
C21 | H212 | sing | 1.09Å | 1.10Å | |
C22 | C23 | sing | 1.50Å | 1.54Å | |
C22 | O22 | sing | 1.43Å | 1.39Å | |
C22 | H22 | sing | 1.09Å | 1.10Å | |
C23 | S23 | sing | 1.76Å | 1.75Å | |
C23 | C24 | doub | 1.34Å | 1.40Å | |
S23 | H23 | sing | 1.35Å | 1.30Å | |
C24 | S24 | sing | 1.76Å | 1.74Å | |
C24 | C25 | sing | 1.51Å | 1.53Å | |
S24 | H24 | sing | 1.34Å | 1.30Å | |
C25 | N26 | sing | 1.47Å | 1.48Å | |
C25 | C34 | sing | 1.53Å | 1.55Å | |
C25 | H25 | sing | 1.09Å | 1.10Å | |
N26 | C27 | sing | 1.41Å | 1.35Å | |
N26 | H26 | sing | 0.97Å | 1.00Å | |
C27 | C28 | sing | 1.40Å | 1.42Å | |
C27 | C32 | doub | 1.39Å | 1.44Å | |
C28 | O28 | doub | 1.22Å | 1.36Å | |
C28 | N29 | sing | 1.35Å | 1.34Å | |
N29 | C30 | sing | 1.36Å | 1.36Å | |
N29 | H29 | sing | 0.97Å | 1.00Å | |
C30 | N30 | sing | 1.37Å | 1.35Å | |
C30 | N31 | doub | 1.32Å | 1.36Å | |
N30 | H301 | sing | 0.97Å | 1.00Å | |
N30 | H302 | sing | 0.97Å | 1.00Å | |
N31 | C32 | sing | 1.34Å | 1.34Å | |
C32 | N33 | sing | 1.38Å | 1.34Å | |
N33 | C34 | sing | 1.47Å | 1.46Å | |
N33 | H33 | sing | 0.97Å | 1.00Å | |
C34 | O22 | sing | 1.43Å | 1.39Å | |
C34 | H34 | sing | 1.09Å | 1.10Å | |
P1 | O1P | sing | 1.61Å | 1.60Å | |
P1 | O2P | sing | 1.61Å | 1.57Å | |
P1 | O3P | doub | 1.48Å | 1.47Å | |
P1 | O4P | sing | 1.61Å | 1.55Å | |
O1P | MG1 | sing | 1.84Å | 2.02Å | |
O2P | HOP2 | sing | 0.97Å | 0.95Å | |
P2 | O5P | sing | 1.61Å | 1.57Å | |
P2 | O6P | sing | 1.61Å | 1.58Å | |
P2 | O7P | doub | 1.48Å | 1.49Å | |
P2 | O8P | sing | 1.61Å | 1.48Å | |
O5P | MG1 | sing | 1.84Å | 2.01Å | |
O6P | HOP6 | sing | 0.97Å | 0.95Å | |
MG1 | O1G | sing | 1.84Å | 2.10Å | |
MG1 | O2G | sing | 1.84Å | 2.11Å | |
O1G | HO11 | sing | 2.91Å | 0.95Å | |
O1G | HO12 | sing | 0.97Å | 0.95Å | |
O2G | HO21 | sing | 3.28Å | 0.95Å | |
O2G | HO22 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O4P | 100.2° | 109.5° |
C2 | C1 | H11 | 111.8° | 109.4° |
C2 | C1 | H12 | 111.7° | 109.5° |
C1 | C2 | C3 | 116.8° | 109.2° |
C1 | C2 | O2 | 116.2° | 109.2° |
C1 | C2 | H2 | 104.0° | 109.1° |
O4P | C1 | H11 | 111.7° | 109.5° |
O4P | C1 | H12 | 111.7° | 109.5° |
C1 | O4P | P1 | 117.5° | 106.8° |
H11 | C1 | H12 | 109.5° | 109.4° |
C3 | C2 | O2 | 109.1° | 110.9° |
C3 | C2 | H2 | 103.8° | 109.1° |
C2 | C3 | S3 | 121.3° | 118.1° |
C2 | C3 | C4 | 121.5° | 123.1° |
O2 | C2 | H2 | 105.3° | 109.2° |
C2 | O2 | C14 | 123.4° | 107.0° |
S3 | C3 | C4 | 114.3° | 118.8° |
C3 | S3 | H3 | 102.0° | 100.0° |
C3 | C4 | S4 | 117.3° | 121.6° |
C3 | C4 | C5 | 120.3° | 118.7° |
S4 | C4 | C5 | 118.1° | 119.6° |
C4 | S4 | W1 | 115.2° | 100.0° |
C4 | C5 | N6 | 120.0° | 108.5° |
C4 | C5 | C14 | 112.2° | 109.7° |
C4 | C5 | H5 | 104.1° | 110.3° |
N6 | C5 | C14 | 109.9° | 107.8° |
N6 | C5 | H5 | 104.8° | 110.3° |
C5 | N6 | C7 | 118.5° | 119.2° |
C5 | N6 | H6 | 107.2° | 120.3° |
C14 | C5 | H5 | 104.1° | 110.3° |
C5 | C14 | N13 | 109.8° | 109.3° |
C5 | C14 | O2 | 105.0° | 108.8° |
C5 | C14 | H14 | 104.7° | 109.6° |
C7 | N6 | H6 | 107.2° | 120.5° |
N6 | C7 | C8 | 124.0° | 120.8° |
N6 | C7 | C12 | 118.8° | 120.1° |
C8 | C7 | C12 | 117.2° | 119.1° |
C7 | C8 | O8 | 123.1° | 120.8° |
C7 | C8 | N9 | 120.8° | 118.5° |
C7 | C12 | N11 | 118.0° | 119.7° |
C7 | C12 | N13 | 120.3° | 119.8° |
O8 | C8 | N9 | 115.9° | 120.7° |
C8 | N9 | C10 | 119.9° | 120.1° |
C8 | N9 | H9 | 120.0° | 119.9° |
C10 | N9 | H9 | 120.0° | 119.9° |
N9 | C10 | N10 | 122.6° | 119.2° |
N9 | C10 | N11 | 120.6° | 121.7° |
N10 | C10 | N11 | 116.7° | 119.1° |
C10 | N10 | H101 | 120.0° | 120.0° |
C10 | N10 | H102 | 120.0° | 120.0° |
C10 | N11 | C12 | 122.2° | 120.9° |
H101 | N10 | H102 | 120.0° | 119.9° |
N11 | C12 | N13 | 121.7° | 120.6° |
C12 | N13 | C14 | 123.4° | 119.4° |
C12 | N13 | H13 | 105.9° | 120.3° |
C14 | N13 | H13 | 105.9° | 120.3° |
N13 | C14 | O2 | 123.9° | 109.9° |
N13 | C14 | H14 | 105.5° | 109.6° |
O2 | C14 | H14 | 106.4° | 109.6° |
C22 | C21 | O8P | 106.7° | 109.5° |
C22 | C21 | H211 | 110.1° | 109.5° |
C22 | C21 | H212 | 110.2° | 109.5° |
C21 | C22 | C23 | 110.1° | 108.9° |
C21 | C22 | O22 | 118.6° | 109.1° |
C21 | C22 | H22 | 107.4° | 109.0° |
O8P | C21 | H211 | 110.1° | 109.5° |
O8P | C21 | H212 | 110.2° | 109.5° |
C21 | O8P | P2 | 116.4° | 106.8° |
H211 | C21 | H212 | 109.5° | 109.5° |
C23 | C22 | O22 | 103.8° | 111.8° |
C23 | C22 | H22 | 107.3° | 109.0° |
C22 | C23 | S23 | 122.9° | 119.1° |
C22 | C23 | C24 | 119.4° | 122.2° |
O22 | C22 | H22 | 109.2° | 109.0° |
C22 | O22 | C34 | 129.0° | 106.8° |
S23 | C23 | C24 | 116.8° | 118.7° |
C23 | S23 | H23 | 102.0° | 100.0° |
C23 | C24 | S24 | 119.0° | 119.6° |
C23 | C24 | C25 | 122.6° | 119.5° |
S24 | C24 | C25 | 115.5° | 120.9° |
C24 | S24 | H24 | 102.0° | 100.0° |
C24 | C25 | N26 | 120.5° | 108.9° |
C24 | C25 | C34 | 103.2° | 108.9° |
C24 | C25 | H25 | 105.2° | 110.4° |
N26 | C25 | C34 | 115.6° | 107.9° |
N26 | C25 | H25 | 105.9° | 110.3° |
C25 | N26 | C27 | 110.5° | 119.0° |
C25 | N26 | H26 | 109.2° | 120.6° |
C34 | C25 | H25 | 105.1° | 110.4° |
C25 | C34 | N33 | 110.1° | 108.6° |
C25 | C34 | O22 | 97.6° | 107.9° |
C25 | C34 | H34 | 111.9° | 110.4° |
C27 | N26 | H26 | 109.2° | 120.5° |
N26 | C27 | C28 | 123.5° | 121.0° |
N26 | C27 | C32 | 121.6° | 120.0° |
C28 | C27 | C32 | 114.8° | 119.1° |
C27 | C28 | O28 | 122.2° | 120.8° |
C27 | C28 | N29 | 122.0° | 118.5° |
C27 | C32 | N31 | 120.5° | 119.7° |
C27 | C32 | N33 | 122.1° | 119.6° |
O28 | C28 | N29 | 115.7° | 120.8° |
C28 | N29 | C30 | 121.0° | 120.2° |
C28 | N29 | H29 | 119.5° | 119.9° |
C30 | N29 | H29 | 119.5° | 119.9° |
N29 | C30 | N30 | 124.1° | 119.2° |
N29 | C30 | N31 | 119.4° | 121.6° |
N30 | C30 | N31 | 116.5° | 119.2° |
C30 | N30 | H301 | 120.0° | 119.9° |
C30 | N30 | H302 | 120.0° | 120.0° |
C30 | N31 | C32 | 122.2° | 121.0° |
H301 | N30 | H302 | 120.0° | 120.1° |
N31 | C32 | N33 | 117.4° | 120.8° |
C32 | N33 | C34 | 120.7° | 119.5° |
C32 | N33 | H33 | 106.6° | 120.2° |
C34 | N33 | H33 | 106.6° | 120.2° |
N33 | C34 | O22 | 108.2° | 109.2° |
N33 | C34 | H34 | 113.3° | 110.3° |
O22 | C34 | H34 | 114.5° | 110.3° |
O1P | P1 | O2P | 95.6° | 109.5° |
O1P | P1 | O3P | 111.5° | 109.5° |
O1P | P1 | O4P | 111.0° | 109.5° |
P1 | O1P | MG1 | 131.8° | 106.8° |
O2P | P1 | O3P | 113.6° | 109.4° |
O2P | P1 | O4P | 107.3° | 109.5° |
P1 | O2P | HOP2 | 109.5° | 106.8° |
O3P | P1 | O4P | 115.9° | 109.5° |
O1P | MG1 | O5P | 172.7° | 109.5° |
O1P | MG1 | O1G | 98.1° | 109.5° |
O1P | MG1 | O2G | 91.1° | 109.4° |
O5P | P2 | O6P | 109.3° | 109.5° |
O5P | P2 | O7P | 105.5° | 109.5° |
O5P | P2 | O8P | 111.7° | 109.5° |
P2 | O5P | MG1 | 151.6° | 106.8° |
O6P | P2 | O7P | 107.7° | 109.5° |
O6P | P2 | O8P | 109.9° | 109.4° |
P2 | O6P | HOP6 | 109.5° | 106.8° |
O7P | P2 | O8P | 112.5° | 109.4° |
O5P | MG1 | O1G | 89.1° | 109.5° |
O5P | MG1 | O2G | 86.0° | 109.5° |
O1G | MG1 | O2G | 102.9° | 109.5° |
MG1 | O1G | HO11 | 109.5° | 49.8° |
MG1 | O1G | HO12 | 109.5° | 106.7° |
MG1 | O2G | HO21 | 109.5° | 40.2° |
MG1 | O2G | HO22 | 109.5° | 106.8° |
HO11 | O1G | HO12 | 109.4° | 87.0° |
HO21 | O2G | HO22 | 109.4° | 98.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O4P | H11 | 118.5° | 119.9° |
C2 | C1 | O4P | H12 | 118.5° | 120.1° |
C2 | C1 | H11 | H12 | 124.3° | 120.0° |
C1 | C2 | C3 | O2 | 134.4° | 120.4° |
C1 | C2 | C3 | H2 | 113.8° | 119.3° |
C1 | C2 | O2 | H2 | 114.4° | 119.3° |
C1 | C2 | C3 | S3 | 15.9° | 39.5° |
C1 | C2 | C3 | C4 | 143.6° | 139.9° |
C1 | C2 | O2 | C14 | 177.9° | 176.4° |
C2 | C1 | O4P | P1 | 138.9° | 180.0° |
O4P | C1 | H11 | H12 | 124.3° | 120.1° |
O4P | C1 | C2 | C3 | 179.2° | 174.3° |
O4P | C1 | C2 | O2 | 48.1° | 64.2° |
O4P | C1 | C2 | H2 | 67.1° | 55.1° |
C1 | O4P | P1 | O1P | 76.0° | 175.0° |
C1 | O4P | P1 | O2P | 179.3° | 64.9° |
C1 | O4P | P1 | O3P | 52.5° | 55.0° |
H11 | C1 | C2 | C3 | 62.3° | 65.7° |
H11 | C1 | C2 | O2 | 166.5° | 55.8° |
H11 | C1 | C2 | H2 | 51.4° | 175.0° |
H11 | C1 | O4P | P1 | 102.6° | 60.1° |
H12 | C1 | C2 | C3 | 60.8° | 54.2° |
H12 | C1 | C2 | O2 | 70.4° | 175.7° |
H12 | C1 | C2 | H2 | 174.4° | 65.0° |
H12 | C1 | O4P | P1 | 20.5° | 59.9° |
C3 | C2 | O2 | H2 | 110.9° | 120.3° |
C2 | C3 | S3 | C4 | 160.8° | 179.4° |
C2 | C3 | S3 | H3 | 180.0° | 174.2° |
C2 | C3 | C4 | S4 | 155.3° | 179.8° |
C2 | C3 | C4 | C5 | 0.9° | 0.5° |
C3 | C2 | O2 | C14 | 47.4° | 56.0° |
O2 | C2 | C3 | S3 | 150.3° | 159.9° |
O2 | C2 | C3 | C4 | 9.2° | 19.5° |
C2 | O2 | C14 | C5 | 66.0° | 74.6° |
C2 | O2 | C14 | N13 | 167.0° | 165.7° |
C2 | O2 | C14 | H14 | 44.7° | 45.2° |
H2 | C2 | C3 | S3 | 97.9° | 79.8° |
H2 | C2 | C3 | C4 | 102.7° | 100.8° |
H2 | C2 | O2 | C14 | 63.5° | 64.3° |
S3 | C3 | C4 | S4 | 5.4° | 0.8° |
S3 | C3 | C4 | C5 | 161.7° | 179.9° |
C4 | C3 | S3 | H3 | 19.2° | 5.2° |
C3 | C4 | S4 | C5 | 156.8° | 179.3° |
C3 | C4 | S4 | W1 | 11.6° | 175.0° |
C3 | C4 | C5 | N6 | 113.5° | 102.2° |
C3 | C4 | C5 | C14 | 17.8° | 15.2° |
C3 | C4 | C5 | H5 | 129.7° | 136.9° |
S4 | C4 | C5 | N6 | 42.6° | 78.4° |
S4 | C4 | C5 | C14 | 173.9° | 164.1° |
S4 | C4 | C5 | H5 | 74.2° | 42.5° |
C5 | C4 | S4 | W1 | 168.4° | 4.3° |
C4 | C5 | N6 | C14 | 132.4° | 118.7° |
C4 | C5 | N6 | H5 | 116.4° | 120.8° |
C4 | C5 | C14 | H5 | 111.9° | 121.6° |
C4 | C5 | N6 | C7 | 177.3° | 161.1° |
C4 | C5 | N6 | H6 | 61.4° | 18.9° |
C4 | C5 | C14 | N13 | 179.9° | 172.3° |
C4 | C5 | C14 | O2 | 44.6° | 52.3° |
C4 | C5 | C14 | H14 | 67.2° | 67.5° |
N6 | C5 | C14 | H5 | 111.8° | 120.5° |
C5 | N6 | C7 | H6 | 121.3° | 179.9° |
C5 | N6 | C7 | C8 | 150.7° | 164.7° |
C5 | N6 | C7 | C12 | 27.3° | 15.5° |
N6 | C5 | C14 | N13 | 43.6° | 54.4° |
N6 | C5 | C14 | O2 | 91.7° | 65.6° |
N6 | C5 | C14 | H14 | 156.5° | 174.6° |
C14 | C5 | N6 | C7 | 50.4° | 42.4° |
C14 | C5 | N6 | H6 | 70.9° | 137.5° |
C5 | C14 | N13 | C12 | 19.4° | 44.9° |
C5 | C14 | N13 | O2 | 125.0° | 119.3° |
C5 | C14 | N13 | H14 | 112.3° | 120.1° |
C5 | C14 | N13 | H13 | 141.4° | 135.2° |
C5 | C14 | O2 | H14 | 110.6° | 119.8° |
H5 | C5 | N6 | C7 | 60.9° | 78.1° |
H5 | C5 | N6 | H6 | 177.8° | 102.0° |
H5 | C5 | C14 | N13 | 68.2° | 66.0° |
H5 | C5 | C14 | O2 | 156.6° | 173.9° |
H5 | C5 | C14 | H14 | 44.7° | 54.1° |
N6 | C7 | C8 | C12 | 178.0° | 179.8° |
N6 | C7 | C8 | O8 | 7.3° | 0.3° |
N6 | C7 | C8 | N9 | 169.4° | 179.7° |
N6 | C7 | C12 | N11 | 179.3° | 179.6° |
N6 | C7 | C12 | N13 | 2.0° | 0.4° |
H6 | N6 | C7 | C8 | 88.0° | 15.4° |
H6 | N6 | C7 | C12 | 94.0° | 164.5° |
C7 | C8 | O8 | N9 | 176.9° | 180.0° |
C7 | C8 | N9 | C10 | 12.1° | 0.0° |
C7 | C8 | N9 | H9 | 167.9° | 180.0° |
C8 | C7 | C12 | N11 | 1.2° | 0.3° |
C8 | C7 | C12 | N13 | 179.9° | 179.7° |
C12 | C7 | C8 | O8 | 174.7° | 179.8° |
C12 | C7 | C8 | N9 | 8.6° | 0.2° |
C7 | C12 | N11 | C10 | 7.6° | 0.2° |
C7 | C12 | N11 | N13 | 178.7° | 180.0° |
C7 | C12 | N13 | C14 | 4.5° | 17.0° |
C7 | C12 | N13 | H13 | 117.4° | 163.1° |
O8 | C8 | N9 | C10 | 170.9° | 180.0° |
O8 | C8 | N9 | H9 | 9.1° | 0.1° |
C8 | N9 | C10 | H9 | 180.0° | 180.0° |
C8 | N9 | C10 | N10 | 170.8° | 179.9° |
C8 | N9 | C10 | N11 | 5.7° | 0.1° |
N9 | C10 | N10 | N11 | 176.6° | 179.9° |
N9 | C10 | N10 | H101 | 176.6° | 0.0° |
N9 | C10 | N10 | H102 | 3.4° | 180.0° |
N9 | C10 | N11 | C12 | 4.4° | 0.0° |
H9 | N9 | C10 | N10 | 9.3° | 0.2° |
H9 | N9 | C10 | N11 | 174.3° | 179.9° |
C10 | N10 | H101 | H102 | 180.0° | 180.0° |
N10 | C10 | N11 | C12 | 178.9° | 179.9° |
N11 | C10 | N10 | H101 | 0.0° | 180.0° |
N11 | C10 | N10 | H102 | 180.0° | 0.1° |
C10 | N11 | C12 | N13 | 173.7° | 179.8° |
N11 | C12 | N13 | C14 | 176.8° | 163.0° |
N11 | C12 | N13 | H13 | 61.2° | 16.9° |
C12 | N13 | C14 | H13 | 121.9° | 179.9° |
C12 | N13 | C14 | O2 | 105.6° | 74.5° |
C12 | N13 | C14 | H14 | 131.8° | 165.0° |
N13 | C14 | O2 | H14 | 122.3° | 120.5° |
H13 | N13 | C14 | O2 | 16.4° | 105.4° |
H13 | N13 | C14 | H14 | 106.3° | 15.1° |
C22 | C21 | O8P | H211 | 119.5° | 120.0° |
C22 | C21 | O8P | H212 | 119.6° | 120.0° |
C22 | C21 | H211 | H212 | 121.3° | 120.0° |
C21 | C22 | C23 | O22 | 127.9° | 120.6° |
C21 | C22 | C23 | H22 | 116.5° | 118.9° |
C21 | C22 | O22 | H22 | 123.3° | 118.9° |
C21 | C22 | C23 | S23 | 46.5° | 41.7° |
C21 | C22 | C23 | C24 | 122.6° | 138.5° |
C21 | C22 | O22 | C34 | 161.3° | 175.0° |
C22 | C21 | O8P | P2 | 158.8° | 180.0° |
O8P | C21 | H211 | H212 | 121.3° | 120.0° |
O8P | C21 | C22 | C23 | 179.9° | 172.8° |
O8P | C21 | C22 | O22 | 60.7° | 65.0° |
O8P | C21 | C22 | H22 | 63.6° | 53.9° |
C21 | O8P | P2 | O5P | 64.6° | 175.0° |
C21 | O8P | P2 | O6P | 173.9° | 65.0° |
C21 | O8P | P2 | O7P | 53.8° | 55.0° |
H211 | C21 | C22 | C23 | 60.5° | 52.8° |
H211 | C21 | C22 | O22 | 179.8° | 175.0° |
H211 | C21 | C22 | H22 | 56.0° | 66.1° |
H211 | C21 | O8P | P2 | 81.6° | 60.0° |
H212 | C21 | C22 | C23 | 60.3° | 67.2° |
H212 | C21 | C22 | O22 | 58.9° | 55.0° |
H212 | C21 | C22 | H22 | 176.8° | 173.9° |
H212 | C21 | O8P | P2 | 39.2° | 60.0° |
C23 | C22 | O22 | H22 | 114.2° | 120.6° |
C22 | C23 | S23 | C24 | 169.4° | 179.8° |
C22 | C23 | S23 | H23 | 180.0° | 174.8° |
C22 | C23 | C24 | S24 | 160.2° | 179.9° |
C22 | C23 | C24 | C25 | 0.6° | 0.4° |
C23 | C22 | O22 | C34 | 38.8° | 54.5° |
O22 | C22 | C23 | S23 | 174.4° | 162.2° |
O22 | C22 | C23 | C24 | 5.3° | 18.0° |
C22 | O22 | C34 | C25 | 77.0° | 75.2° |
C22 | O22 | C34 | N33 | 168.8° | 167.0° |
C22 | O22 | C34 | H34 | 41.4° | 45.5° |
H22 | C22 | C23 | S23 | 70.0° | 77.2° |
H22 | C22 | C23 | C24 | 120.8° | 102.6° |
H22 | C22 | O22 | C34 | 75.4° | 66.0° |
S23 | C23 | C24 | S24 | 9.6° | 0.1° |
S23 | C23 | C24 | C25 | 169.2° | 179.8° |
C24 | C23 | S23 | H23 | 10.6° | 5.4° |
C23 | C24 | S24 | C25 | 161.0° | 179.6° |
C23 | C24 | S24 | H24 | 180.0° | 115.0° |
C23 | C24 | C25 | N26 | 93.2° | 99.0° |
C23 | C24 | C25 | C34 | 37.6° | 18.4° |
C23 | C24 | C25 | H25 | 147.5° | 139.7° |
S24 | C24 | C25 | N26 | 67.1° | 80.7° |
S24 | C24 | C25 | C34 | 162.1° | 161.9° |
S24 | C24 | C25 | H25 | 52.2° | 40.6° |
C25 | C24 | S24 | H24 | 19.0° | 65.3° |
C24 | C25 | N26 | C34 | 125.2° | 118.1° |
C24 | C25 | N26 | H25 | 119.0° | 121.3° |
C24 | C25 | C34 | H25 | 110.0° | 121.3° |
C24 | C25 | N26 | C27 | 176.5° | 161.6° |
C24 | C25 | N26 | H26 | 56.4° | 18.5° |
C24 | C25 | C34 | N33 | 175.2° | 173.6° |
C24 | C25 | C34 | O22 | 62.5° | 55.4° |
C24 | C25 | C34 | H34 | 57.8° | 65.3° |
N26 | C25 | C34 | H25 | 116.3° | 120.6° |
C25 | N26 | C27 | H26 | 120.2° | 179.9° |
C25 | N26 | C27 | C28 | 147.6° | 164.3° |
C25 | N26 | C27 | C32 | 29.9° | 15.9° |
N26 | C25 | C34 | N33 | 41.5° | 55.5° |
N26 | C25 | C34 | O22 | 71.1° | 62.7° |
N26 | C25 | C34 | H34 | 168.5° | 176.6° |
C34 | C25 | N26 | C27 | 51.3° | 43.5° |
C34 | C25 | N26 | H26 | 68.8° | 136.6° |
C25 | C34 | N33 | C32 | 9.9° | 45.5° |
C25 | C34 | N33 | O22 | 105.7° | 117.4° |
C25 | C34 | N33 | H34 | 126.2° | 121.1° |
C25 | C34 | N33 | H33 | 131.5° | 134.4° |
C25 | C34 | O22 | H34 | 118.4° | 120.7° |
H25 | C25 | N26 | C27 | 64.5° | 77.1° |
H25 | C25 | N26 | H26 | 175.4° | 102.8° |
H25 | C25 | C34 | N33 | 74.8° | 65.1° |
H25 | C25 | C34 | O22 | 172.6° | 176.7° |
H25 | C25 | C34 | H34 | 52.2° | 56.0° |
N26 | C27 | C28 | C32 | 177.6° | 179.8° |
N26 | C27 | C28 | O28 | 2.3° | 0.3° |
N26 | C27 | C28 | N29 | 174.6° | 180.0° |
N26 | C27 | C32 | N31 | 177.8° | 179.6° |
N26 | C27 | C32 | N33 | 0.9° | 0.5° |
H26 | N26 | C27 | C28 | 92.2° | 15.6° |
H26 | N26 | C27 | C32 | 90.3° | 164.2° |
C27 | C28 | O28 | N29 | 177.1° | 179.7° |
C27 | C28 | N29 | C30 | 4.0° | 0.6° |
C27 | C28 | N29 | H29 | 176.0° | 179.9° |
C28 | C27 | C32 | N31 | 0.1° | 0.2° |
C28 | C27 | C32 | N33 | 178.6° | 179.7° |
C32 | C27 | C28 | O28 | 179.9° | 179.9° |
C32 | C27 | C28 | N29 | 3.0° | 0.1° |
C27 | C32 | N31 | C30 | 2.2° | 0.1° |
C27 | C32 | N31 | N33 | 178.8° | 179.8° |
C27 | C32 | N33 | C34 | 11.3° | 17.4° |
C27 | C32 | N33 | H33 | 110.3° | 162.6° |
O28 | C28 | N29 | C30 | 178.9° | 179.7° |
O28 | C28 | N29 | H29 | 1.1° | 0.2° |
C28 | N29 | C30 | H29 | 180.0° | 179.5° |
C28 | N29 | C30 | N30 | 178.1° | 179.6° |
C28 | N29 | C30 | N31 | 1.8° | 0.7° |
N29 | C30 | N30 | N31 | 176.4° | 179.7° |
N29 | C30 | N30 | H301 | 176.4° | 179.7° |
N29 | C30 | N30 | H302 | 3.6° | 0.6° |
N29 | C30 | N31 | C32 | 1.4° | 0.4° |
H29 | N29 | C30 | N30 | 1.9° | 0.1° |
H29 | N29 | C30 | N31 | 178.2° | 179.8° |
C30 | N30 | H301 | H302 | 180.0° | 179.7° |
N30 | C30 | N31 | C32 | 175.2° | 180.0° |
N31 | C30 | N30 | H301 | 0.0° | 0.0° |
N31 | C30 | N30 | H302 | 180.0° | 179.8° |
C30 | N31 | C32 | N33 | 176.5° | 179.8° |
N31 | C32 | N33 | C34 | 167.5° | 162.8° |
N31 | C32 | N33 | H33 | 71.0° | 17.3° |
C32 | N33 | C34 | H33 | 121.6° | 179.9° |
C32 | N33 | C34 | O22 | 95.7° | 71.9° |
C32 | N33 | C34 | H34 | 136.2° | 166.7° |
N33 | C34 | O22 | H34 | 127.4° | 121.4° |
H33 | N33 | C34 | O22 | 25.8° | 108.2° |
H33 | N33 | C34 | H34 | 102.3° | 13.3° |
O1P | P1 | O2P | O3P | 116.4° | 120.0° |
O1P | P1 | O2P | O4P | 114.0° | 120.0° |
O1P | P1 | O3P | O4P | 128.3° | 120.0° |
O1P | P1 | O2P | HOP2 | 116.5° | 60.0° |
P1 | O1P | MG1 | O5P | 167.7° | 180.0° |
P1 | O1P | MG1 | O1G | 1.9° | 60.0° |
P1 | O1P | MG1 | O2G | 101.3° | 60.0° |
O2P | P1 | O3P | O4P | 125.1° | 120.0° |
O2P | P1 | O1P | MG1 | 161.1° | 60.0° |
O3P | P1 | O1P | MG1 | 43.0° | 60.0° |
O3P | P1 | O2P | HOP2 | 0.0° | 180.0° |
O4P | P1 | O1P | MG1 | 87.9° | 180.0° |
O4P | P1 | O2P | HOP2 | 129.5° | 60.0° |
O1P | MG1 | O5P | P2 | 65.1° | 180.0° |
O1P | MG1 | O5P | O1G | 169.7° | 120.0° |
O1P | MG1 | O5P | O2G | 66.7° | 120.0° |
O1P | MG1 | O1G | O2G | 93.0° | 120.0° |
O1P | MG1 | O1G | HO11 | 180.0° | 11.0° |
O1P | MG1 | O1G | HO12 | 60.0° | 60.0° |
O1P | MG1 | O2G | HO21 | 180.0° | 22.4° |
O1P | MG1 | O2G | HO22 | 60.0° | 60.0° |
O5P | P2 | O6P | O7P | 114.1° | 120.0° |
O5P | P2 | O6P | O8P | 123.0° | 120.0° |
O5P | P2 | O7P | O8P | 122.1° | 120.0° |
O5P | P2 | O6P | HOP6 | 114.1° | 60.0° |
P2 | O5P | MG1 | O1G | 104.6° | 60.0° |
P2 | O5P | MG1 | O2G | 1.6° | 60.0° |
O6P | P2 | O7P | O8P | 121.3° | 120.0° |
O6P | P2 | O5P | MG1 | 143.5° | 60.0° |
O7P | P2 | O5P | MG1 | 28.0° | 60.0° |
O7P | P2 | O6P | HOP6 | 0.0° | 180.0° |
O8P | P2 | O5P | MG1 | 94.6° | 180.0° |
O8P | P2 | O6P | HOP6 | 122.9° | 60.0° |
O5P | MG1 | O1G | O2G | 85.7° | 120.0° |
O5P | MG1 | O1G | HO11 | 1.4° | 131.0° |
O5P | MG1 | O1G | HO12 | 121.3° | 60.0° |
O5P | MG1 | O2G | HO21 | 6.8° | 142.4° |
O5P | MG1 | O2G | HO22 | 126.7° | 60.0° |
MG1 | O1G | HO11 | HO12 | 120.0° | 115.0° |
O1G | MG1 | O2G | HO21 | 81.4° | 97.5° |
O1G | MG1 | O2G | HO22 | 38.6° | 180.0° |
O2G | MG1 | O1G | HO11 | 87.0° | 109.0° |
O2G | MG1 | O1G | HO12 | 153.0° | 180.0° |
MG1 | O2G | HO21 | HO22 | 120.0° | 106.6° |