TEC
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C1 | sing | 1.43Å | 1.30Å | |
O5 | C1 | sing | 1.43Å | 1.45Å | |
O5 | C5 | sing | 1.43Å | 1.40Å | |
C1 | C2 | sing | 1.53Å | 1.50Å | |
C6 | O6 | sing | 1.45Å | 1.41Å | |
C6 | C5 | sing | 1.53Å | 1.55Å | |
O6 | CAM | sing | 1.34Å | 1.34Å | |
CAN | CAM | sing | 1.51Å | 1.51Å | |
CAN | CAO | sing | 1.53Å | 1.48Å | |
C5 | C4 | sing | 1.53Å | 1.48Å | |
CAP | CAO | sing | 1.53Å | 1.49Å | |
CAP | CAQ | sing | 1.53Å | 1.49Å | |
CAM | OAW | doub | 1.21Å | 1.21Å | |
C2 | N2 | sing | 1.47Å | 1.45Å | |
C2 | C3 | sing | 1.53Å | 1.46Å | |
CAR | CAQ | sing | 1.53Å | 1.48Å | |
CAR | CAS | sing | 1.53Å | 1.50Å | |
C4 | C3 | sing | 1.53Å | 1.51Å | |
C4 | O4 | sing | 1.43Å | 1.30Å | |
C3 | O3 | sing | 1.43Å | 1.32Å | |
CAS | CAT | sing | 1.53Å | 1.50Å | |
CAT | CAU | sing | 1.53Å | 1.51Å | |
CAV | CAU | sing | 1.53Å | 1.51Å | |
CAV | H1 | sing | 1.09Å | 1.10Å | |
CAV | H2 | sing | 1.09Å | 1.10Å | |
CAV | H3 | sing | 1.09Å | 1.10Å | |
CAU | H4 | sing | 1.09Å | 1.10Å | |
CAU | H5 | sing | 1.09Å | 1.10Å | |
CAT | H6 | sing | 1.09Å | 1.10Å | |
CAT | H7 | sing | 1.09Å | 1.10Å | |
CAS | H8 | sing | 1.09Å | 1.10Å | |
CAS | H9 | sing | 1.09Å | 1.10Å | |
CAR | H10 | sing | 1.09Å | 1.10Å | |
CAR | H11 | sing | 1.09Å | 1.10Å | |
CAQ | H12 | sing | 1.09Å | 1.10Å | |
CAQ | H13 | sing | 1.09Å | 1.10Å | |
CAP | H14 | sing | 1.09Å | 1.10Å | |
CAP | H15 | sing | 1.09Å | 1.10Å | |
CAO | H16 | sing | 1.09Å | 1.10Å | |
CAO | H17 | sing | 1.09Å | 1.10Å | |
CAN | H18 | sing | 1.09Å | 1.10Å | |
CAN | H19 | sing | 1.09Å | 1.10Å | |
C6 | H20 | sing | 1.09Å | 1.10Å | |
C6 | H21 | sing | 1.09Å | 1.10Å | |
C5 | H22 | sing | 1.09Å | 1.10Å | |
C1 | H23 | sing | 1.09Å | 1.10Å | |
O1 | H24 | sing | 0.97Å | 0.95Å | |
C2 | H25 | sing | 1.09Å | 1.10Å | |
N2 | H26 | sing | 1.01Å | 1.00Å | |
N2 | H27 | sing | 1.01Å | 1.00Å | |
C3 | H29 | sing | 1.09Å | 1.10Å | |
O3 | H30 | sing | 0.97Å | 0.95Å | |
C4 | H31 | sing | 1.09Å | 1.10Å | |
O4 | H32 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | C1 | O5 | 119.1° | 109.5° |
O1 | C1 | C2 | 110.7° | 109.5° |
O1 | C1 | H23 | 107.8° | 109.5° |
C1 | O1 | H24 | 109.5° | 114.0° |
C1 | O5 | C5 | 99.3° | 114.1° |
O5 | C1 | C2 | 107.1° | 109.4° |
O5 | C1 | H23 | 105.9° | 109.5° |
O5 | C5 | C6 | 112.5° | 109.5° |
O5 | C5 | C4 | 104.1° | 109.4° |
O5 | C5 | H22 | 110.8° | 109.4° |
C1 | C2 | N2 | 107.9° | 109.6° |
C1 | C2 | C3 | 101.1° | 109.2° |
C2 | C1 | H23 | 105.4° | 109.5° |
C1 | C2 | H25 | 112.4° | 109.6° |
O6 | C6 | C5 | 112.1° | 109.5° |
C6 | O6 | CAM | 120.8° | 117.0° |
O6 | C6 | H20 | 108.8° | 109.4° |
O6 | C6 | H21 | 108.8° | 109.4° |
C6 | C5 | C4 | 111.1° | 109.5° |
C5 | C6 | H20 | 108.8° | 109.5° |
C5 | C6 | H21 | 108.8° | 109.5° |
C6 | C5 | H22 | 108.7° | 109.5° |
O6 | CAM | CAN | 113.4° | 120.0° |
O6 | CAM | OAW | 124.9° | 120.0° |
CAM | CAN | CAO | 111.6° | 109.5° |
CAN | CAM | OAW | 121.4° | 120.0° |
CAM | CAN | H18 | 109.0° | 109.5° |
CAM | CAN | H19 | 108.9° | 109.5° |
CAN | CAO | CAP | 111.5° | 109.5° |
CAN | CAO | H16 | 108.9° | 109.5° |
CAN | CAO | H17 | 108.9° | 109.5° |
CAO | CAN | H18 | 108.9° | 109.5° |
CAO | CAN | H19 | 109.0° | 109.5° |
C5 | C4 | C3 | 108.7° | 109.2° |
C5 | C4 | O4 | 105.7° | 109.5° |
C4 | C5 | H22 | 109.6° | 109.5° |
C5 | C4 | H31 | 110.5° | 109.6° |
CAO | CAP | CAQ | 106.0° | 109.5° |
CAO | CAP | H14 | 110.3° | 109.5° |
CAO | CAP | H15 | 110.4° | 109.5° |
CAP | CAO | H16 | 109.0° | 109.5° |
CAP | CAO | H17 | 109.0° | 109.5° |
CAP | CAQ | CAR | 113.4° | 109.5° |
CAP | CAQ | H12 | 108.5° | 109.4° |
CAP | CAQ | H13 | 108.5° | 109.5° |
CAQ | CAP | H14 | 110.4° | 109.4° |
CAQ | CAP | H15 | 110.3° | 109.4° |
N2 | C2 | C3 | 108.2° | 109.5° |
N2 | C2 | H25 | 113.2° | 109.5° |
C2 | N2 | H26 | 109.5° | 111.0° |
C2 | N2 | H27 | 109.4° | 111.0° |
C2 | C3 | C4 | 115.9° | 109.0° |
C2 | C3 | O3 | 98.5° | 109.5° |
C3 | C2 | H25 | 113.2° | 109.5° |
C2 | C3 | H29 | 110.7° | 109.6° |
CAQ | CAR | CAS | 107.4° | 109.5° |
CAQ | CAR | H10 | 110.0° | 109.5° |
CAQ | CAR | H11 | 110.0° | 109.5° |
CAR | CAQ | H12 | 108.5° | 109.5° |
CAR | CAQ | H13 | 108.5° | 109.5° |
CAR | CAS | CAT | 109.4° | 109.5° |
CAR | CAS | H8 | 109.5° | 109.5° |
CAR | CAS | H9 | 109.5° | 109.5° |
CAS | CAR | H10 | 110.0° | 109.5° |
CAS | CAR | H11 | 110.0° | 109.5° |
C3 | C4 | O4 | 108.2° | 109.5° |
C4 | C3 | O3 | 108.6° | 109.6° |
C4 | C3 | H29 | 109.9° | 109.6° |
C3 | C4 | H31 | 110.1° | 109.5° |
O4 | C4 | H31 | 113.4° | 109.6° |
C4 | O4 | H32 | 109.5° | 114.1° |
O3 | C3 | H29 | 112.8° | 109.5° |
C3 | O3 | H30 | 109.5° | 114.0° |
CAS | CAT | CAU | 112.0° | 109.5° |
CAS | CAT | H6 | 108.8° | 109.4° |
CAS | CAT | H7 | 108.8° | 109.5° |
CAT | CAS | H8 | 109.5° | 109.5° |
CAT | CAS | H9 | 109.5° | 109.5° |
CAT | CAU | CAV | 112.8° | 109.5° |
CAT | CAU | H4 | 108.6° | 109.5° |
CAT | CAU | H5 | 108.6° | 109.5° |
CAU | CAT | H6 | 108.9° | 109.5° |
CAU | CAT | H7 | 108.8° | 109.5° |
CAU | CAV | H1 | 109.5° | 109.5° |
CAU | CAV | H2 | 109.4° | 109.5° |
CAU | CAV | H3 | 109.5° | 109.5° |
CAV | CAU | H4 | 108.6° | 109.5° |
CAV | CAU | H5 | 108.6° | 109.5° |
H1 | CAV | H2 | 109.5° | 109.5° |
H1 | CAV | H3 | 109.5° | 109.4° |
H2 | CAV | H3 | 109.5° | 109.5° |
H4 | CAU | H5 | 109.5° | 109.5° |
H6 | CAT | H7 | 109.5° | 109.5° |
H8 | CAS | H9 | 109.5° | 109.5° |
H10 | CAR | H11 | 109.5° | 109.5° |
H12 | CAQ | H13 | 109.5° | 109.5° |
H14 | CAP | H15 | 109.4° | 109.5° |
H16 | CAO | H17 | 109.5° | 109.5° |
H18 | CAN | H19 | 109.4° | 109.5° |
H20 | C6 | H21 | 109.5° | 109.5° |
H26 | N2 | H27 | 109.5° | 111.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C1 | O5 | C2 | 126.4° | 120.0° |
O1 | C1 | O5 | H23 | 121.5° | 120.0° |
O1 | C1 | O5 | C5 | 148.3° | 178.9° |
O1 | C1 | C2 | H23 | 116.3° | 120.0° |
O1 | C1 | C2 | N2 | 48.3° | 62.5° |
O1 | C1 | C2 | C3 | 161.8° | 177.6° |
O1 | C1 | C2 | H25 | 77.2° | 57.7° |
O5 | C1 | C2 | H23 | 112.4° | 120.0° |
C1 | O5 | C5 | C6 | 161.9° | 178.8° |
C1 | O5 | C5 | C4 | 77.7° | 61.1° |
O5 | C1 | C2 | N2 | 179.6° | 177.5° |
O5 | C1 | C2 | C3 | 67.0° | 57.6° |
C1 | O5 | C5 | H22 | 40.1° | 58.9° |
O5 | C1 | O1 | H24 | 180.0° | 60.0° |
O5 | C1 | C2 | H25 | 54.0° | 62.4° |
C5 | O5 | C1 | C2 | 85.2° | 61.1° |
O5 | C5 | C6 | O6 | 130.9° | 65.1° |
O5 | C5 | C6 | C4 | 116.2° | 120.0° |
O5 | C5 | C6 | H22 | 123.1° | 119.9° |
O5 | C5 | C4 | H22 | 118.6° | 119.9° |
O5 | C5 | C4 | C3 | 61.4° | 57.6° |
O5 | C5 | C4 | O4 | 177.4° | 177.5° |
O5 | C5 | C6 | H20 | 10.5° | 55.0° |
O5 | C5 | C6 | H21 | 108.7° | 175.0° |
C5 | O5 | C1 | H23 | 26.9° | 58.8° |
O5 | C5 | C4 | H31 | 59.5° | 62.3° |
C1 | C2 | N2 | C3 | 108.7° | 119.7° |
C1 | C2 | N2 | H25 | 125.0° | 120.2° |
C1 | C2 | C3 | H25 | 120.4° | 120.0° |
C1 | C2 | C3 | C4 | 49.7° | 57.0° |
C1 | C2 | C3 | O3 | 165.3° | 176.8° |
C2 | C1 | O1 | H24 | 55.3° | 179.9° |
C1 | C2 | N2 | H26 | 180.0° | 60.0° |
C1 | C2 | N2 | H27 | 60.0° | 176.0° |
C1 | C2 | C3 | H29 | 76.3° | 63.0° |
O6 | C6 | C5 | H20 | 120.4° | 120.0° |
O6 | C6 | C5 | H21 | 120.4° | 120.0° |
C6 | O6 | CAM | CAN | 130.1° | 180.0° |
O6 | C6 | C5 | C4 | 112.9° | 175.0° |
C6 | O6 | CAM | OAW | 56.4° | 0.0° |
O6 | C6 | H20 | H21 | 118.8° | 119.9° |
O6 | C6 | C5 | H22 | 7.8° | 54.9° |
C5 | C6 | O6 | CAM | 115.4° | 180.0° |
C6 | C5 | C4 | H22 | 120.1° | 120.1° |
C6 | C5 | C4 | C3 | 177.3° | 177.6° |
C6 | C5 | C4 | O4 | 61.3° | 62.5° |
C5 | C6 | H20 | H21 | 118.8° | 120.0° |
C6 | C5 | C4 | H31 | 61.8° | 57.7° |
O6 | CAM | CAN | OAW | 173.8° | 180.0° |
O6 | CAM | CAN | CAO | 167.8° | 180.0° |
O6 | CAM | CAN | H18 | 71.9° | 60.0° |
O6 | CAM | CAN | H19 | 47.4° | 60.0° |
CAM | O6 | C6 | H20 | 124.2° | 59.9° |
CAM | O6 | C6 | H21 | 5.0° | 60.0° |
CAM | CAN | CAO | H18 | 120.3° | 120.0° |
CAM | CAN | CAO | H19 | 120.3° | 120.0° |
CAM | CAN | CAO | CAP | 168.8° | 180.0° |
CAM | CAN | CAO | H16 | 70.9° | 60.0° |
CAM | CAN | CAO | H17 | 48.5° | 60.0° |
CAM | CAN | H18 | H19 | 119.0° | 120.0° |
CAN | CAO | CAP | H16 | 120.3° | 120.0° |
CAN | CAO | CAP | H17 | 120.3° | 120.0° |
CAN | CAO | CAP | CAQ | 152.4° | 180.0° |
CAO | CAN | CAM | OAW | 6.1° | 0.0° |
CAN | CAO | CAP | H14 | 88.1° | 60.0° |
CAN | CAO | CAP | H15 | 32.9° | 60.0° |
CAN | CAO | H16 | H17 | 119.0° | 120.0° |
CAO | CAN | H18 | H19 | 119.1° | 120.0° |
C5 | C4 | C3 | C2 | 49.6° | 57.0° |
C5 | C4 | C3 | O4 | 114.3° | 119.9° |
C5 | C4 | C3 | H31 | 121.2° | 119.9° |
C5 | C4 | O4 | H31 | 121.2° | 120.2° |
C5 | C4 | C3 | O3 | 159.3° | 176.8° |
C4 | C5 | C6 | H20 | 126.7° | 65.0° |
C4 | C5 | C6 | H21 | 7.5° | 55.0° |
C5 | C4 | C3 | H29 | 76.8° | 63.0° |
C5 | C4 | O4 | H32 | 30.6° | 179.9° |
CAO | CAP | CAQ | H14 | 119.5° | 120.0° |
CAO | CAP | CAQ | H15 | 119.5° | 120.1° |
CAO | CAP | CAQ | CAR | 162.6° | 180.0° |
CAO | CAP | CAQ | H12 | 76.8° | 60.0° |
CAO | CAP | CAQ | H13 | 42.1° | 60.0° |
CAO | CAP | H14 | H15 | 121.6° | 120.0° |
CAP | CAO | H16 | H17 | 119.1° | 120.0° |
CAP | CAO | CAN | H18 | 48.4° | 60.0° |
CAP | CAO | CAN | H19 | 70.9° | 60.0° |
CAP | CAQ | CAR | H12 | 120.6° | 120.0° |
CAP | CAQ | CAR | H13 | 120.6° | 120.0° |
CAP | CAQ | CAR | CAS | 179.1° | 180.0° |
CAP | CAQ | CAR | H10 | 61.3° | 60.0° |
CAP | CAQ | CAR | H11 | 59.4° | 60.0° |
CAP | CAQ | H12 | H13 | 118.2° | 120.0° |
CAQ | CAP | H14 | H15 | 121.6° | 119.9° |
CAQ | CAP | CAO | H16 | 32.1° | 60.0° |
CAQ | CAP | CAO | H17 | 87.3° | 60.0° |
OAW | CAM | CAN | H18 | 114.3° | 120.0° |
OAW | CAM | CAN | H19 | 126.4° | 120.0° |
N2 | C2 | C3 | H25 | 126.3° | 120.1° |
N2 | C2 | C3 | C4 | 163.0° | 176.9° |
N2 | C2 | C3 | O3 | 81.5° | 63.2° |
N2 | C2 | C1 | H23 | 68.0° | 57.5° |
C2 | N2 | H26 | H27 | 120.0° | 124.0° |
N2 | C2 | C3 | H29 | 37.0° | 57.0° |
C2 | C3 | C4 | O3 | 109.7° | 119.8° |
C2 | C3 | C4 | H29 | 126.4° | 119.9° |
C2 | C3 | C4 | O4 | 164.0° | 176.9° |
C2 | C3 | O3 | H29 | 116.8° | 120.2° |
C3 | C2 | C1 | H23 | 45.5° | 62.4° |
C3 | C2 | N2 | H26 | 71.4° | 179.7° |
C3 | C2 | N2 | H27 | 48.7° | 56.3° |
C2 | C3 | O3 | H30 | 180.0° | 60.1° |
C2 | C3 | C4 | H31 | 71.6° | 63.0° |
CAQ | CAR | CAS | H10 | 119.7° | 120.0° |
CAQ | CAR | CAS | H11 | 119.7° | 120.0° |
CAQ | CAR | CAS | CAT | 108.2° | 180.0° |
CAQ | CAR | CAS | H8 | 131.8° | 60.0° |
CAQ | CAR | CAS | H9 | 11.8° | 60.0° |
CAQ | CAR | H10 | H11 | 121.0° | 120.0° |
CAR | CAQ | H12 | H13 | 118.2° | 120.0° |
CAR | CAQ | CAP | H14 | 43.2° | 60.0° |
CAR | CAQ | CAP | H15 | 77.9° | 60.0° |
CAR | CAS | CAT | H8 | 120.0° | 120.0° |
CAR | CAS | CAT | H9 | 120.0° | 120.0° |
CAR | CAS | CAT | CAU | 155.8° | 180.0° |
CAR | CAS | CAT | H6 | 35.3° | 60.0° |
CAR | CAS | CAT | H7 | 83.9° | 60.0° |
CAR | CAS | H8 | H9 | 120.0° | 120.0° |
CAS | CAR | H10 | H11 | 121.0° | 120.0° |
CAS | CAR | CAQ | H12 | 58.5° | 60.0° |
CAS | CAR | CAQ | H13 | 60.4° | 60.0° |
C3 | C4 | O4 | H31 | 122.4° | 120.1° |
C4 | C3 | O3 | H29 | 122.1° | 120.3° |
C3 | C4 | C5 | H22 | 57.2° | 62.4° |
C4 | C3 | C2 | H25 | 70.7° | 63.0° |
C4 | C3 | O3 | H30 | 58.9° | 179.6° |
C3 | C4 | O4 | H32 | 146.9° | 60.4° |
O4 | C4 | C3 | O3 | 86.3° | 63.3° |
O4 | C4 | C5 | H22 | 58.8° | 57.6° |
O4 | C4 | C3 | H29 | 37.6° | 57.0° |
O3 | C3 | C2 | H25 | 44.8° | 56.9° |
O3 | C3 | C4 | H31 | 38.2° | 56.9° |
CAS | CAT | CAU | H6 | 120.4° | 120.0° |
CAS | CAT | CAU | H7 | 120.4° | 120.0° |
CAS | CAT | CAU | CAV | 44.0° | 180.0° |
CAS | CAT | CAU | H4 | 76.4° | 60.0° |
CAS | CAT | CAU | H5 | 164.6° | 60.0° |
CAS | CAT | H6 | H7 | 118.8° | 119.9° |
CAT | CAS | H8 | H9 | 120.1° | 120.0° |
CAT | CAS | CAR | H10 | 11.5° | 60.0° |
CAT | CAS | CAR | H11 | 132.1° | 60.0° |
CAT | CAU | CAV | H4 | 120.5° | 120.0° |
CAT | CAU | CAV | H5 | 120.5° | 120.0° |
CAT | CAU | CAV | H1 | 180.0° | 60.0° |
CAT | CAU | CAV | H2 | 60.0° | 60.0° |
CAT | CAU | CAV | H3 | 60.0° | 180.0° |
CAT | CAU | H4 | H5 | 118.5° | 120.0° |
CAU | CAT | H6 | H7 | 118.9° | 120.0° |
CAU | CAT | CAS | H8 | 84.3° | 60.0° |
CAU | CAT | CAS | H9 | 35.8° | 60.0° |
CAU | CAV | H1 | H2 | 120.0° | 120.0° |
CAU | CAV | H1 | H3 | 120.0° | 120.0° |
CAU | CAV | H2 | H3 | 120.0° | 120.0° |
CAV | CAU | H4 | H5 | 118.5° | 120.0° |
CAV | CAU | CAT | H6 | 164.4° | 60.0° |
CAV | CAU | CAT | H7 | 76.3° | 60.0° |
H1 | CAV | H2 | H3 | 120.0° | 120.0° |
H1 | CAV | CAU | H4 | 59.5° | 60.0° |
H1 | CAV | CAU | H5 | 59.5° | NaN° |
H2 | CAV | CAU | H4 | 179.5° | 180.0° |
H2 | CAV | CAU | H5 | 60.5° | 60.0° |
H3 | CAV | CAU | H4 | 60.5° | 59.9° |
H3 | CAV | CAU | H5 | 179.5° | 60.1° |
H4 | CAU | CAT | H6 | 44.0° | 180.0° |
H4 | CAU | CAT | H7 | 163.2° | 60.0° |
H5 | CAU | CAT | H6 | 75.1° | 60.0° |
H5 | CAU | CAT | H7 | 44.2° | 180.0° |
H6 | CAT | CAS | H8 | 155.3° | 180.0° |
H6 | CAT | CAS | H9 | 84.6° | 60.1° |
H7 | CAT | CAS | H8 | 36.1° | 60.0° |
H7 | CAT | CAS | H9 | 156.1° | 180.0° |
H8 | CAS | CAR | H10 | 108.5° | 180.0° |
H8 | CAS | CAR | H11 | 12.2° | 60.0° |
H9 | CAS | CAR | H10 | 131.5° | 60.0° |
H9 | CAS | CAR | H11 | 107.9° | 180.0° |
H10 | CAR | CAQ | H12 | 178.1° | 180.0° |
H10 | CAR | CAQ | H13 | 59.3° | 60.0° |
H11 | CAR | CAQ | H12 | 61.2° | 60.0° |
H11 | CAR | CAQ | H13 | 179.9° | 180.0° |
H12 | CAQ | CAP | H14 | 163.8° | 180.0° |
H12 | CAQ | CAP | H15 | 42.7° | 60.1° |
H13 | CAQ | CAP | H14 | 77.4° | 60.0° |
H13 | CAQ | CAP | H15 | 161.5° | 180.0° |
H14 | CAP | CAO | H16 | 151.6° | NaN° |
H14 | CAP | CAO | H17 | 32.2° | 60.0° |
H15 | CAP | CAO | H16 | 87.4° | 60.0° |
H15 | CAP | CAO | H17 | 153.2° | 180.0° |
H16 | CAO | CAN | H18 | 168.8° | NaN° |
H16 | CAO | CAN | H19 | 49.4° | 60.0° |
H17 | CAO | CAN | H18 | 71.9° | 60.0° |
H17 | CAO | CAN | H19 | 168.8° | 180.0° |
H20 | C6 | C5 | H22 | 112.6° | 174.9° |
H21 | C6 | C5 | H22 | 128.2° | 65.1° |
H22 | C5 | C4 | H31 | 178.1° | 177.8° |
H23 | C1 | O1 | H24 | 59.5° | 60.1° |
H23 | C1 | C2 | H25 | 166.5° | 177.7° |
H25 | C2 | N2 | H26 | 55.0° | 60.2° |
H25 | C2 | N2 | H27 | 175.0° | 63.8° |
H25 | C2 | C3 | H29 | 163.3° | 177.0° |
H29 | C3 | O3 | H30 | 63.2° | 60.1° |
H29 | C3 | C4 | H31 | 162.1° | 177.1° |
H31 | C4 | O4 | H32 | 90.7° | 59.7° |