HJR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O43 | C43 | sing | 1.43Å | 1.45Å | |
| C43 | C33 | sing | 1.53Å | 1.48Å | |
| C43 | C83 | sing | 1.53Å | 1.53Å | |
| C43 | C53 | sing | 1.53Å | 1.54Å | |
| C33 | C23 | sing | 1.53Å | 1.49Å | |
| C33 | N33 | sing | 1.47Å | 1.53Å | |
| C93 | N33 | sing | 1.47Å | 1.45Å | |
| C23 | C13 | sing | 1.53Å | 1.54Å | |
| C53 | O53 | sing | 1.43Å | 1.48Å | |
| C13 | O53 | sing | 1.43Å | 1.48Å | |
| C13 | O62 | sing | 1.43Å | 1.38Å | |
| O1 | S | doub | 1.42Å | 1.65Å | |
| F3 | C6 | sing | 1.40Å | 1.36Å | |
| O62 | C62 | sing | 1.43Å | 1.43Å | |
| N12 | S | sing | 1.66Å | 1.71Å | |
| N12 | C12 | sing | 1.47Å | 1.46Å | |
| S | C6 | sing | 1.81Å | 1.81Å | |
| S | O2 | doub | 1.42Å | 1.65Å | |
| F1 | C6 | sing | 1.40Å | 1.36Å | |
| C6 | F2 | sing | 1.40Å | 1.36Å | |
| C62 | C12 | sing | 1.53Å | 1.56Å | |
| C62 | C52 | sing | 1.53Å | 1.54Å | |
| C12 | C22 | sing | 1.53Å | 1.55Å | |
| O52 | C52 | sing | 1.43Å | 1.41Å | |
| C52 | C42 | sing | 1.53Å | 1.54Å | |
| C22 | C32 | sing | 1.53Å | 1.54Å | |
| C42 | C32 | sing | 1.53Å | 1.54Å | |
| C42 | O11 | sing | 1.43Å | 1.42Å | |
| C32 | N32 | sing | 1.47Å | 1.46Å | |
| C11 | O11 | sing | 1.43Å | 1.38Å | |
| C11 | C21 | sing | 1.53Å | 1.51Å | |
| C11 | O51 | sing | 1.43Å | 1.47Å | |
| C21 | C31 | sing | 1.53Å | 1.47Å | |
| O51 | C51 | sing | 1.43Å | 1.45Å | |
| C31 | C41 | sing | 1.53Å | 1.48Å | |
| C51 | C41 | sing | 1.53Å | 1.53Å | |
| C51 | C61 | sing | 1.53Å | 1.51Å | |
| C61 | N61 | sing | 1.47Å | 1.45Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C31 | H10 | sing | 1.09Å | 1.10Å | |
| C31 | H11 | sing | 1.09Å | 1.10Å | |
| C32 | H12 | sing | 1.09Å | 1.10Å | |
| C33 | H13 | sing | 1.09Å | 1.10Å | |
| C41 | H14 | sing | 1.09Å | 1.10Å | |
| C41 | H15 | sing | 1.09Å | 1.10Å | |
| C42 | H16 | sing | 1.09Å | 1.10Å | |
| C51 | H17 | sing | 1.09Å | 1.10Å | |
| C52 | H18 | sing | 1.09Å | 1.10Å | |
| C53 | H19 | sing | 1.09Å | 1.10Å | |
| C53 | H20 | sing | 1.09Å | 1.10Å | |
| C61 | H21 | sing | 1.09Å | 1.10Å | |
| C61 | H22 | sing | 1.09Å | 1.10Å | |
| C62 | H23 | sing | 1.09Å | 1.10Å | |
| C83 | H24 | sing | 1.09Å | 1.10Å | |
| C83 | H25 | sing | 1.09Å | 1.10Å | |
| C83 | H26 | sing | 1.09Å | 1.10Å | |
| C93 | H27 | sing | 1.09Å | 1.10Å | |
| C93 | H28 | sing | 1.09Å | 1.10Å | |
| C93 | H29 | sing | 1.09Å | 1.10Å | |
| N12 | H30 | sing | 0.97Å | 1.00Å | |
| N32 | H31 | sing | 1.01Å | 1.00Å | |
| N32 | H32 | sing | 1.01Å | 1.00Å | |
| N33 | H34 | sing | 1.01Å | 1.00Å | |
| N61 | H36 | sing | 1.01Å | 1.00Å | |
| N61 | H37 | sing | 1.01Å | 1.00Å | |
| O43 | H39 | sing | 0.97Å | 0.95Å | |
| O52 | H40 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O43 | C43 | C33 | 117.6° | 109.5° |
| O43 | C43 | C83 | 84.6° | 109.6° |
| O43 | C43 | C53 | 122.5° | 109.6° |
| C43 | O43 | H39 | 109.5° | 114.0° |
| C33 | C43 | C83 | 94.5° | 109.5° |
| C33 | C43 | C53 | 119.4° | 109.1° |
| C43 | C33 | C23 | 107.5° | 109.1° |
| C43 | C33 | N33 | 115.2° | 109.5° |
| C43 | C33 | H13 | 108.2° | 109.7° |
| C83 | C43 | C53 | 83.7° | 109.5° |
| C43 | C83 | H24 | 109.5° | 109.4° |
| C43 | C83 | H25 | 109.5° | 109.4° |
| C43 | C83 | H26 | 109.4° | 109.5° |
| C43 | C53 | O53 | 112.4° | 109.4° |
| C43 | C53 | H19 | 108.7° | 109.5° |
| C43 | C53 | H20 | 108.7° | 109.5° |
| C23 | C33 | N33 | 110.0° | 109.5° |
| C33 | C23 | C13 | 112.4° | 109.2° |
| C33 | C23 | H8 | 108.8° | 109.5° |
| C33 | C23 | H9 | 108.7° | 109.6° |
| C23 | C33 | H13 | 108.1° | 109.5° |
| C33 | N33 | C93 | 110.6° | 111.0° |
| N33 | C33 | H13 | 107.6° | 109.5° |
| C33 | N33 | H34 | 109.2° | 111.0° |
| N33 | C93 | H27 | 109.5° | 109.4° |
| N33 | C93 | H28 | 109.5° | 109.5° |
| N33 | C93 | H29 | 109.5° | 109.5° |
| C93 | N33 | H34 | 109.2° | 110.9° |
| C23 | C13 | O53 | 114.6° | 109.4° |
| C23 | C13 | O62 | 105.2° | 109.5° |
| C23 | C13 | H3 | 107.3° | 109.4° |
| C13 | C23 | H8 | 108.7° | 109.5° |
| C13 | C23 | H9 | 108.8° | 109.5° |
| C53 | O53 | C13 | 117.4° | 114.1° |
| O53 | C53 | H19 | 108.7° | 109.5° |
| O53 | C53 | H20 | 108.7° | 109.5° |
| O53 | C13 | O62 | 112.4° | 109.5° |
| O53 | C13 | H3 | 107.9° | 109.5° |
| C13 | O62 | C62 | 119.3° | 114.0° |
| O62 | C13 | H3 | 109.3° | 109.5° |
| O1 | S | N12 | 109.8° | 104.3° |
| O1 | S | C6 | 108.5° | 110.5° |
| O1 | S | O2 | 109.7° | 121.0° |
| F3 | C6 | S | 108.8° | 109.4° |
| F3 | C6 | F1 | 109.8° | 109.5° |
| F3 | C6 | F2 | 109.9° | 109.5° |
| O62 | C62 | C12 | 116.1° | 109.5° |
| O62 | C62 | C52 | 113.4° | 109.5° |
| O62 | C62 | H23 | 104.9° | 109.5° |
| S | N12 | C12 | 111.2° | 120.0° |
| N12 | S | C6 | 109.6° | 104.5° |
| N12 | S | O2 | 109.7° | 104.3° |
| S | N12 | H30 | 109.1° | 120.0° |
| N12 | C12 | C62 | 112.4° | 109.5° |
| N12 | C12 | C22 | 109.8° | 109.5° |
| N12 | C12 | H2 | 107.7° | 109.5° |
| C12 | N12 | H30 | 109.0° | 119.9° |
| C6 | S | O2 | 109.5° | 110.5° |
| S | C6 | F1 | 109.2° | 109.4° |
| S | C6 | F2 | 109.4° | 109.5° |
| F1 | C6 | F2 | 109.7° | 109.5° |
| C12 | C62 | C52 | 113.2° | 109.4° |
| C62 | C12 | C22 | 113.3° | 109.5° |
| C62 | C12 | H2 | 106.6° | 109.4° |
| C12 | C62 | H23 | 103.6° | 109.5° |
| C62 | C52 | O52 | 107.2° | 109.5° |
| C62 | C52 | C42 | 106.0° | 109.5° |
| C62 | C52 | H18 | 109.2° | 109.5° |
| C52 | C62 | H23 | 103.8° | 109.5° |
| C12 | C22 | C32 | 115.1° | 109.5° |
| C22 | C12 | H2 | 106.7° | 109.5° |
| C12 | C22 | H6 | 108.0° | 109.5° |
| C12 | C22 | H7 | 108.0° | 109.5° |
| O52 | C52 | C42 | 113.8° | 109.5° |
| O52 | C52 | H18 | 111.1° | 109.5° |
| C52 | O52 | H40 | 109.5° | 114.0° |
| C52 | C42 | C32 | 109.1° | 109.5° |
| C52 | C42 | O11 | 118.0° | 109.5° |
| C52 | C42 | H16 | 105.7° | 109.4° |
| C42 | C52 | H18 | 109.2° | 109.5° |
| C22 | C32 | C42 | 112.3° | 109.5° |
| C22 | C32 | N32 | 109.9° | 109.5° |
| C32 | C22 | H6 | 108.0° | 109.5° |
| C32 | C22 | H7 | 108.1° | 109.5° |
| C22 | C32 | H12 | 108.1° | 109.5° |
| C32 | C42 | O11 | 110.5° | 109.5° |
| C42 | C32 | N32 | 109.3° | 109.5° |
| C42 | C32 | H12 | 108.1° | 109.5° |
| C32 | C42 | H16 | 105.7° | 109.5° |
| C42 | O11 | C11 | 117.8° | 114.0° |
| O11 | C42 | H16 | 107.1° | 109.5° |
| N32 | C32 | H12 | 109.1° | 109.5° |
| C32 | N32 | H31 | 109.5° | 111.0° |
| C32 | N32 | H32 | 109.5° | 111.0° |
| O11 | C11 | C21 | 106.2° | 109.5° |
| O11 | C11 | O51 | 108.3° | 109.5° |
| O11 | C11 | H1 | 111.9° | 109.5° |
| C21 | C11 | O51 | 110.0° | 109.4° |
| C11 | C21 | C31 | 112.1° | 109.2° |
| C21 | C11 | H1 | 109.9° | 109.4° |
| C11 | C21 | H4 | 108.8° | 109.5° |
| C11 | C21 | H5 | 108.8° | 109.5° |
| C11 | O51 | C51 | 109.6° | 114.1° |
| O51 | C11 | H1 | 110.4° | 109.5° |
| C21 | C31 | C41 | 115.3° | 109.0° |
| C31 | C21 | H4 | 108.8° | 109.5° |
| C31 | C21 | H5 | 108.8° | 109.5° |
| C21 | C31 | H10 | 108.0° | 109.5° |
| C21 | C31 | H11 | 108.0° | 109.6° |
| O51 | C51 | C41 | 113.2° | 109.4° |
| O51 | C51 | C61 | 108.3° | 109.5° |
| O51 | C51 | H17 | 109.3° | 109.5° |
| C31 | C41 | C51 | 115.5° | 109.1° |
| C41 | C31 | H10 | 108.0° | 109.5° |
| C41 | C31 | H11 | 108.0° | 109.5° |
| C31 | C41 | H14 | 108.0° | 109.5° |
| C31 | C41 | H15 | 108.0° | 109.5° |
| C41 | C51 | C61 | 109.2° | 109.5° |
| C51 | C41 | H14 | 107.9° | 109.5° |
| C51 | C41 | H15 | 107.9° | 109.6° |
| C41 | C51 | H17 | 108.3° | 109.5° |
| C51 | C61 | N61 | 110.3° | 109.5° |
| C61 | C51 | H17 | 108.5° | 109.5° |
| C51 | C61 | H21 | 109.2° | 109.5° |
| C51 | C61 | H22 | 109.2° | 109.5° |
| N61 | C61 | H21 | 109.3° | 109.5° |
| N61 | C61 | H22 | 109.3° | 109.5° |
| C61 | N61 | H36 | 109.5° | 111.0° |
| C61 | N61 | H37 | 109.5° | 111.0° |
| H4 | C21 | H5 | 109.5° | 109.6° |
| H6 | C22 | H7 | 109.5° | 109.5° |
| H8 | C23 | H9 | 109.5° | 109.5° |
| H10 | C31 | H11 | 109.5° | 109.6° |
| H14 | C41 | H15 | 109.5° | 109.5° |
| H19 | C53 | H20 | 109.5° | 109.5° |
| H21 | C61 | H22 | 109.5° | 109.4° |
| H24 | C83 | H25 | 109.5° | 109.4° |
| H24 | C83 | H26 | 109.5° | 109.5° |
| H25 | C83 | H26 | 109.5° | 109.5° |
| H27 | C93 | H28 | 109.5° | 109.5° |
| H27 | C93 | H29 | 109.4° | 109.4° |
| H28 | C93 | H29 | 109.5° | 109.5° |
| H31 | N32 | H32 | 109.5° | 111.0° |
| H36 | N61 | H37 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O43 | C43 | C33 | C83 | 86.2° | 120.2° |
| O43 | C43 | C33 | C53 | 171.5° | 120.0° |
| O43 | C43 | C83 | C53 | 123.6° | 120.2° |
| O43 | C43 | C33 | C23 | 136.0° | 176.9° |
| O43 | C43 | C33 | N33 | 101.0° | 63.2° |
| O43 | C43 | C53 | O53 | 148.9° | 177.5° |
| O43 | C43 | C33 | H13 | 19.4° | 57.0° |
| O43 | C43 | C53 | H19 | 90.7° | 62.5° |
| O43 | C43 | C53 | H20 | 28.4° | 57.5° |
| O43 | C43 | C83 | H24 | 180.0° | 60.1° |
| O43 | C43 | C83 | H25 | 60.0° | 59.8° |
| O43 | C43 | C83 | H26 | 60.0° | 179.9° |
| C33 | C43 | C83 | C53 | 119.1° | 119.6° |
| C43 | C33 | C23 | N33 | 126.2° | 119.9° |
| C43 | C33 | C23 | H13 | 116.6° | 120.0° |
| C43 | C33 | N33 | H13 | 120.8° | 120.3° |
| C43 | C33 | N33 | C93 | 152.7° | 155.4° |
| C43 | C33 | C23 | C13 | 56.4° | 57.0° |
| C33 | C43 | C53 | O53 | 40.1° | 57.6° |
| C43 | C33 | C23 | H8 | 64.1° | 62.9° |
| C43 | C33 | C23 | H9 | 176.8° | 176.9° |
| C33 | C43 | C53 | H19 | 80.4° | 177.6° |
| C33 | C43 | C53 | H20 | 160.5° | 62.4° |
| C33 | C43 | C83 | H24 | 62.7° | 60.1° |
| C33 | C43 | C83 | H25 | 57.3° | 180.0° |
| C33 | C43 | C83 | H26 | 177.4° | 60.0° |
| C43 | C33 | N33 | H34 | 32.5° | 31.6° |
| C33 | C43 | O43 | H39 | 180.0° | 180.0° |
| C83 | C43 | C33 | C23 | 137.9° | 62.9° |
| C83 | C43 | C33 | N33 | 14.8° | 56.9° |
| C83 | C43 | C53 | O53 | 131.7° | 62.2° |
| C83 | C43 | C33 | H13 | 105.6° | 177.2° |
| C83 | C43 | C53 | H19 | 11.2° | 57.8° |
| C83 | C43 | C53 | H20 | 107.9° | 177.8° |
| C43 | C83 | H24 | H25 | 120.0° | 119.9° |
| C43 | C83 | H24 | H26 | 120.0° | 120.0° |
| C43 | C83 | H25 | H26 | 120.0° | 120.0° |
| C83 | C43 | O43 | H39 | 87.8° | 59.9° |
| C53 | C43 | C33 | C23 | 52.6° | 57.0° |
| C53 | C43 | C33 | N33 | 70.5° | 176.8° |
| C43 | C53 | O53 | H19 | 120.4° | 120.0° |
| C43 | C53 | O53 | H20 | 120.5° | 120.0° |
| C43 | C53 | O53 | C13 | 31.4° | 61.2° |
| C53 | C43 | C33 | H13 | 169.1° | 63.0° |
| C43 | C53 | H19 | H20 | 118.6° | 120.0° |
| C53 | C43 | C83 | H24 | 56.4° | 179.7° |
| C53 | C43 | C83 | H25 | 176.4° | 60.4° |
| C53 | C43 | C83 | H26 | 63.5° | 59.6° |
| C53 | C43 | O43 | H39 | 8.8° | 60.3° |
| C23 | C33 | N33 | H13 | 117.5° | 120.1° |
| C23 | C33 | N33 | C93 | 85.6° | 85.0° |
| C33 | C23 | C13 | H8 | 120.5° | 119.9° |
| C33 | C23 | C13 | H9 | 120.4° | 120.0° |
| C33 | C23 | C13 | O53 | 52.3° | 57.6° |
| C33 | C23 | C13 | O62 | 71.7° | 177.6° |
| C33 | C23 | C13 | H3 | 172.1° | 62.4° |
| C33 | C23 | H8 | H9 | 118.7° | 120.2° |
| C23 | C33 | N33 | H34 | 154.3° | 151.1° |
| C33 | N33 | C93 | H34 | 120.2° | 123.9° |
| N33 | C33 | C23 | C13 | 69.8° | 176.8° |
| N33 | C33 | C23 | H8 | 169.8° | 56.9° |
| N33 | C33 | C23 | H9 | 50.6° | 63.2° |
| C33 | N33 | C93 | H27 | 180.0° | 60.1° |
| C33 | N33 | C93 | H28 | 60.0° | 60.0° |
| C33 | N33 | C93 | H29 | 60.0° | 180.0° |
| C93 | N33 | C33 | H13 | 32.0° | 35.1° |
| N33 | C93 | H27 | H28 | 120.0° | 120.1° |
| N33 | C93 | H27 | H29 | 120.0° | 119.9° |
| N33 | C93 | H28 | H29 | 120.0° | 120.0° |
| C23 | C13 | O53 | C53 | 39.1° | 61.2° |
| C23 | C13 | O53 | O62 | 120.0° | 120.0° |
| C23 | C13 | O53 | H3 | 119.4° | 119.9° |
| C23 | C13 | O62 | H3 | 114.9° | 120.0° |
| C23 | C13 | O62 | C62 | 156.1° | 170.0° |
| C13 | C23 | H8 | H9 | 118.7° | 120.1° |
| C13 | C23 | C33 | H13 | 173.0° | 63.1° |
| C53 | O53 | C13 | O62 | 81.0° | 178.8° |
| C53 | O53 | C13 | H3 | 158.5° | 58.8° |
| O53 | C53 | H19 | H20 | 118.6° | 120.0° |
| O53 | C13 | O62 | H3 | 119.8° | 120.0° |
| O53 | C13 | O62 | C62 | 78.5° | 70.0° |
| O53 | C13 | C23 | H8 | 68.1° | 62.3° |
| O53 | C13 | C23 | H9 | 172.8° | 177.6° |
| C13 | O53 | C53 | H19 | 89.0° | 178.8° |
| C13 | O53 | C53 | H20 | 151.9° | 58.8° |
| C13 | O62 | C62 | C12 | 72.3° | 150.0° |
| C13 | O62 | C62 | C52 | 61.4° | 90.0° |
| O62 | C13 | C23 | H8 | 167.9° | 57.7° |
| O62 | C13 | C23 | H9 | 48.8° | 62.4° |
| C13 | O62 | C62 | H23 | 174.0° | 30.0° |
| O1 | S | C6 | F3 | 71.9° | 171.6° |
| O1 | S | N12 | C6 | 119.1° | 116.1° |
| O1 | S | N12 | O2 | 120.6° | 127.8° |
| O1 | S | N12 | C12 | 168.1° | 178.9° |
| O1 | S | C6 | O2 | 119.6° | 136.7° |
| O1 | S | C6 | F1 | 47.9° | 51.7° |
| O1 | S | C6 | F2 | 168.0° | 68.3° |
| O1 | S | N12 | H30 | 71.7° | 1.1° |
| F3 | C6 | S | N12 | 48.0° | 60.0° |
| F3 | C6 | S | F1 | 119.9° | 120.0° |
| F3 | C6 | S | F2 | 120.1° | 120.0° |
| F3 | C6 | S | O2 | 168.4° | 51.7° |
| F3 | C6 | F1 | F2 | 120.9° | 120.0° |
| O62 | C62 | C12 | N12 | 1.8° | 60.0° |
| O62 | C62 | C12 | C52 | 133.7° | 120.0° |
| O62 | C62 | C12 | H23 | 114.5° | 120.0° |
| O62 | C62 | C52 | H23 | 113.3° | 120.0° |
| O62 | C62 | C12 | C22 | 123.4° | 180.0° |
| O62 | C62 | C52 | O52 | 55.8° | 60.0° |
| O62 | C62 | C52 | C42 | 177.7° | 180.0° |
| O62 | C62 | C12 | H2 | 119.6° | 60.0° |
| C62 | O62 | C13 | H3 | 41.2° | 50.0° |
| O62 | C62 | C52 | H18 | 64.7° | 60.0° |
| S | N12 | C12 | H30 | 120.3° | 180.0° |
| N12 | S | C6 | O2 | 120.4° | 111.6° |
| N12 | S | C6 | F1 | 167.9° | 60.0° |
| N12 | S | C6 | F2 | 72.1° | 180.0° |
| S | N12 | C12 | C62 | 134.5° | 145.0° |
| S | N12 | C12 | C22 | 98.4° | 95.0° |
| S | N12 | C12 | H2 | 17.4° | 25.0° |
| C12 | N12 | S | C6 | 72.8° | 65.0° |
| C12 | N12 | S | O2 | 47.5° | 51.1° |
| N12 | C12 | C62 | C22 | 125.2° | 120.0° |
| N12 | C12 | C62 | H2 | 117.7° | 119.9° |
| N12 | C12 | C62 | C52 | 135.6° | 60.0° |
| N12 | C12 | C22 | H2 | 116.4° | 120.0° |
| N12 | C12 | C22 | C32 | 174.1° | 60.0° |
| N12 | C12 | C22 | H6 | 53.3° | 60.0° |
| N12 | C12 | C22 | H7 | 65.1° | 180.0° |
| N12 | C12 | C62 | H23 | 112.6° | 180.0° |
| S | C6 | F1 | F2 | 119.9° | 120.0° |
| C6 | S | N12 | H30 | 47.4° | 115.0° |
| O2 | S | C6 | F1 | 71.7° | 171.6° |
| O2 | S | C6 | F2 | 48.3° | 68.4° |
| O2 | S | N12 | H30 | 167.7° | 128.9° |
| C12 | C62 | C52 | H23 | 111.7° | 120.0° |
| C62 | C12 | C22 | H2 | 117.0° | 120.0° |
| C12 | C62 | C52 | O52 | 169.2° | 180.0° |
| C12 | C62 | C52 | C42 | 47.3° | 60.0° |
| C62 | C12 | C22 | C32 | 47.5° | 60.0° |
| C62 | C12 | C22 | H6 | 73.3° | 180.0° |
| C62 | C12 | C22 | H7 | 168.3° | 60.0° |
| C12 | C62 | C52 | H18 | 70.3° | 60.0° |
| C62 | C12 | N12 | H30 | 14.2° | 35.0° |
| C52 | C62 | C12 | C22 | 10.3° | 60.0° |
| C62 | C52 | O52 | C42 | 116.9° | 120.0° |
| C62 | C52 | O52 | H18 | 119.3° | 120.0° |
| C62 | C52 | C42 | H18 | 117.6° | 120.0° |
| C62 | C52 | C42 | C32 | 73.9° | 60.0° |
| C62 | C52 | C42 | O11 | 159.0° | 180.0° |
| C52 | C62 | C12 | H2 | 106.7° | 180.0° |
| C62 | C52 | C42 | H16 | 39.3° | 60.0° |
| C62 | C52 | O52 | H40 | 180.0° | 173.4° |
| C12 | C22 | C32 | H6 | 120.8° | 120.0° |
| C12 | C22 | C32 | H7 | 120.8° | 120.0° |
| C12 | C22 | C32 | C42 | 22.1° | 60.0° |
| C12 | C22 | C32 | N32 | 99.7° | 180.0° |
| C12 | C22 | H6 | H7 | 117.4° | 120.0° |
| C12 | C22 | C32 | H12 | 141.3° | 60.0° |
| C22 | C12 | C62 | H23 | 122.1° | 60.0° |
| C22 | C12 | N12 | H30 | 141.3° | 85.0° |
| O52 | C52 | C42 | H18 | 124.8° | 120.0° |
| O52 | C52 | C42 | C32 | 168.6° | 180.0° |
| O52 | C52 | C42 | O11 | 41.4° | 60.0° |
| O52 | C52 | C42 | H16 | 78.2° | 60.0° |
| O52 | C52 | C62 | H23 | 57.5° | 60.0° |
| C52 | C42 | C32 | C22 | 37.5° | 60.0° |
| C52 | C42 | C32 | O11 | 131.3° | 120.0° |
| C52 | C42 | C32 | H16 | 113.2° | 119.9° |
| C52 | C42 | O11 | H16 | 118.9° | 119.9° |
| C52 | C42 | C32 | N32 | 159.6° | 180.0° |
| C52 | C42 | O11 | C11 | 31.7° | 151.2° |
| C52 | C42 | C32 | H12 | 81.7° | 60.0° |
| C42 | C52 | C62 | H23 | 64.4° | 60.0° |
| C42 | C52 | O52 | H40 | 63.1° | 66.5° |
| C22 | C32 | C42 | N32 | 122.2° | 120.0° |
| C22 | C32 | C42 | H12 | 119.2° | 120.0° |
| C22 | C32 | C42 | O11 | 168.7° | 180.0° |
| C22 | C32 | N32 | H12 | 118.4° | 120.0° |
| C32 | C22 | C12 | H2 | 69.5° | 180.0° |
| C32 | C22 | H6 | H7 | 117.4° | 120.0° |
| C22 | C32 | C42 | H16 | 75.8° | 60.0° |
| C22 | C32 | N32 | H31 | 180.0° | 60.0° |
| C22 | C32 | N32 | H32 | 60.0° | 63.9° |
| C32 | C42 | O11 | H16 | 114.6° | 120.0° |
| C42 | C32 | N32 | H12 | 118.0° | 120.0° |
| C32 | C42 | O11 | C11 | 94.8° | 88.8° |
| C42 | C32 | C22 | H6 | 98.7° | 180.0° |
| C42 | C32 | C22 | H7 | 143.0° | 60.0° |
| C32 | C42 | C52 | H18 | 43.7° | 60.0° |
| C42 | C32 | N32 | H31 | 56.4° | 180.0° |
| C42 | C32 | N32 | H32 | 176.4° | 56.1° |
| O11 | C42 | C32 | N32 | 69.1° | 60.0° |
| C42 | O11 | C11 | C21 | 131.4° | 167.6° |
| C42 | O11 | C11 | O51 | 110.5° | 72.4° |
| C42 | O11 | C11 | H1 | 11.5° | 47.6° |
| O11 | C42 | C32 | H12 | 49.6° | 60.0° |
| O11 | C42 | C52 | H18 | 83.4° | 60.0° |
| N32 | C32 | C22 | H6 | 139.5° | 60.0° |
| N32 | C32 | C22 | H7 | 21.1° | 60.0° |
| N32 | C32 | C42 | H16 | 46.4° | 60.1° |
| C32 | N32 | H31 | H32 | 120.0° | 123.9° |
| O11 | C11 | C21 | O51 | 117.0° | 120.0° |
| O11 | C11 | C21 | H1 | 121.2° | 120.0° |
| O11 | C11 | O51 | H1 | 122.8° | 120.1° |
| O11 | C11 | C21 | C31 | 59.0° | 62.4° |
| O11 | C11 | O51 | C51 | 51.6° | 58.8° |
| O11 | C11 | C21 | H4 | 61.4° | 57.5° |
| O11 | C11 | C21 | H5 | 179.4° | 177.7° |
| C11 | O11 | C42 | H16 | 150.6° | 31.3° |
| C21 | C11 | O51 | H1 | 121.4° | 119.9° |
| C11 | C21 | C31 | H4 | 120.4° | 119.9° |
| C11 | C21 | C31 | H5 | 120.4° | 119.9° |
| C21 | C11 | O51 | C51 | 64.1° | 61.2° |
| C11 | C21 | C31 | C41 | 43.1° | 57.0° |
| C11 | C21 | H4 | H5 | 118.8° | 120.2° |
| C11 | C21 | C31 | H10 | 77.8° | 62.9° |
| C11 | C21 | C31 | H11 | 163.9° | 176.8° |
| O51 | C11 | C21 | C31 | 58.0° | 57.6° |
| C11 | O51 | C51 | C41 | 55.3° | 61.2° |
| C11 | O51 | C51 | C61 | 176.5° | 178.8° |
| O51 | C11 | C21 | H4 | 178.4° | 177.5° |
| O51 | C11 | C21 | H5 | 62.4° | 62.2° |
| C11 | O51 | C51 | H17 | 65.6° | 58.8° |
| C21 | C31 | C41 | H10 | 120.9° | 119.8° |
| C21 | C31 | C41 | H11 | 120.8° | 119.9° |
| C21 | C31 | C41 | C51 | 34.7° | 57.0° |
| C31 | C21 | C11 | H1 | 179.8° | 177.6° |
| C31 | C21 | H4 | H5 | 118.8° | 120.1° |
| C21 | C31 | H10 | H11 | 117.3° | 120.2° |
| C21 | C31 | C41 | H14 | 155.6° | 176.9° |
| C21 | C31 | C41 | H15 | 86.2° | 63.0° |
| O51 | C51 | C41 | C31 | 40.8° | 57.6° |
| O51 | C51 | C41 | C61 | 120.7° | 120.0° |
| O51 | C51 | C41 | H17 | 121.4° | 120.0° |
| O51 | C51 | C61 | H17 | 118.5° | 120.1° |
| O51 | C51 | C61 | N61 | 99.3° | 61.5° |
| C51 | O51 | C11 | H1 | 174.5° | 178.9° |
| O51 | C51 | C41 | H14 | 161.7° | 177.5° |
| O51 | C51 | C41 | H15 | 80.1° | 62.3° |
| O51 | C51 | C61 | H21 | 140.6° | 178.5° |
| O51 | C51 | C61 | H22 | 20.8° | 58.5° |
| C31 | C41 | C51 | H14 | 120.9° | 119.9° |
| C31 | C41 | C51 | H15 | 120.9° | 119.9° |
| C31 | C41 | C51 | C61 | 161.5° | 177.6° |
| C41 | C31 | C21 | H4 | 163.5° | 176.9° |
| C41 | C31 | C21 | H5 | 77.3° | 62.9° |
| C41 | C31 | H10 | H11 | 117.3° | 120.2° |
| C31 | C41 | H14 | H15 | 117.3° | 120.1° |
| C31 | C41 | C51 | H17 | 80.5° | 62.4° |
| C41 | C51 | C61 | H17 | 117.8° | 120.0° |
| C41 | C51 | C61 | N61 | 137.0° | 178.6° |
| C51 | C41 | C31 | H10 | 86.2° | 62.9° |
| C51 | C41 | C31 | H11 | 155.5° | 176.8° |
| C51 | C41 | H14 | H15 | 117.2° | 120.2° |
| C41 | C51 | C61 | H21 | 16.9° | 58.6° |
| C41 | C51 | C61 | H22 | 102.8° | 61.4° |
| C51 | C61 | N61 | H21 | 120.1° | 120.0° |
| C51 | C61 | N61 | H22 | 120.1° | 120.0° |
| C61 | C51 | C41 | H14 | 77.6° | 62.5° |
| C61 | C51 | C41 | H15 | 40.6° | 57.7° |
| C51 | C61 | H21 | H22 | 119.6° | 120.0° |
| C51 | C61 | N61 | H36 | 180.0° | 62.0° |
| C51 | C61 | N61 | H37 | 60.0° | 174.1° |
| N61 | C61 | C51 | H17 | 19.2° | 58.6° |
| N61 | C61 | H21 | H22 | 119.7° | 120.0° |
| C61 | N61 | H36 | H37 | 120.0° | 123.9° |
| H1 | C11 | C21 | H4 | 59.8° | 62.5° |
| H1 | C11 | C21 | H5 | 59.4° | 57.7° |
| H2 | C12 | C22 | H6 | 169.7° | 60.0° |
| H2 | C12 | C22 | H7 | 51.4° | 60.0° |
| H2 | C12 | C62 | H23 | 5.1° | 60.0° |
| H2 | C12 | N12 | H30 | 102.8° | 155.0° |
| H3 | C13 | C23 | H8 | 51.6° | 177.7° |
| H3 | C13 | C23 | H9 | 67.5° | 57.6° |
| H4 | C21 | C31 | H10 | 42.6° | 57.0° |
| H4 | C21 | C31 | H11 | 75.7° | 63.3° |
| H5 | C21 | C31 | H10 | 161.8° | 177.2° |
| H5 | C21 | C31 | H11 | 43.6° | 56.9° |
| H6 | C22 | C32 | H12 | 20.5° | 60.0° |
| H7 | C22 | C32 | H12 | 97.8° | 180.0° |
| H8 | C23 | C33 | H13 | 52.6° | 177.1° |
| H9 | C23 | C33 | H13 | 66.6° | 56.9° |
| H10 | C31 | C41 | H14 | 34.7° | 57.0° |
| H10 | C31 | C41 | H15 | 153.0° | 177.2° |
| H11 | C31 | C41 | H14 | 83.6° | 63.3° |
| H11 | C31 | C41 | H15 | 34.7° | 56.9° |
| H12 | C32 | C42 | H16 | 165.1° | 180.0° |
| H12 | C32 | N32 | H31 | 61.6° | 60.0° |
| H12 | C32 | N32 | H32 | 58.4° | 176.1° |
| H13 | C33 | N33 | H34 | 88.2° | 88.7° |
| H14 | C41 | C51 | H17 | 40.3° | 57.5° |
| H15 | C41 | C51 | H17 | 158.6° | 177.7° |
| H16 | C42 | C52 | H18 | 157.0° | 180.0° |
| H17 | C51 | C61 | H21 | 100.9° | 61.4° |
| H17 | C51 | C61 | H22 | 139.3° | 178.6° |
| H18 | C52 | C62 | H23 | 178.0° | NaN° |
| H18 | C52 | O52 | H40 | 60.7° | 53.4° |
| H21 | C61 | N61 | H36 | 59.9° | 58.0° |
| H21 | C61 | N61 | H37 | 179.9° | 65.9° |
| H22 | C61 | N61 | H36 | 59.9° | 178.0° |
| H22 | C61 | N61 | H37 | 60.1° | 54.1° |
| H24 | C83 | H25 | H26 | 120.0° | 120.1° |
| H27 | C93 | H28 | H29 | 119.9° | 120.0° |
| H27 | C93 | N33 | H34 | 59.8° | 176.0° |
| H28 | C93 | N33 | H34 | 179.8° | 63.9° |
| H29 | C93 | N33 | H34 | 60.2° | 56.1° |
