FSJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C93 | N33 | sing | 1.47Å | 1.48Å | |
| N33 | C33 | sing | 1.47Å | 1.48Å | |
| O23 | C23 | sing | 1.43Å | 1.42Å | |
| C33 | C23 | sing | 1.53Å | 1.61Å | |
| C33 | C43 | sing | 1.53Å | 1.64Å | |
| C23 | C13 | sing | 1.53Å | 1.58Å | |
| C83 | C43 | sing | 1.53Å | 1.56Å | |
| O43 | C43 | sing | 1.43Å | 1.43Å | |
| C43 | C53 | sing | 1.53Å | 1.59Å | |
| N12 | C12 | sing | 1.47Å | 1.42Å | |
| O62 | C13 | sing | 1.43Å | 1.46Å | |
| O62 | C62 | sing | 1.43Å | 1.40Å | |
| C13 | O53 | sing | 1.43Å | 1.53Å | |
| C12 | C62 | sing | 1.53Å | 1.59Å | |
| C12 | C22 | sing | 1.53Å | 1.61Å | |
| C53 | O53 | sing | 1.43Å | 1.54Å | |
| C62 | C52 | sing | 1.53Å | 1.58Å | |
| C22 | C32 | sing | 1.53Å | 1.60Å | |
| C52 | O52 | sing | 1.43Å | 1.45Å | |
| C52 | C42 | sing | 1.53Å | 1.61Å | |
| C32 | C42 | sing | 1.53Å | 1.59Å | |
| C32 | N32 | sing | 1.47Å | 1.49Å | |
| C42 | O11 | sing | 1.43Å | 1.39Å | |
| N21 | C21 | sing | 1.47Å | 1.49Å | |
| O11 | C11 | sing | 1.43Å | 1.42Å | |
| C21 | C31 | sing | 1.53Å | 1.65Å | |
| C21 | C11 | sing | 1.54Å | 1.60Å | |
| C31 | C41 | sing | 1.50Å | 1.60Å | |
| C11 | O51 | sing | 1.43Å | 1.47Å | |
| C41 | C51 | doub | 1.31Å | 1.38Å | |
| O51 | C51 | sing | 1.35Å | 1.47Å | |
| C51 | C61 | sing | 1.51Å | 1.56Å | |
| C61 | F61 | sing | 1.40Å | 1.39Å | |
| 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 | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C31 | H8 | sing | 1.09Å | 1.10Å | |
| C31 | H9 | sing | 1.09Å | 1.10Å | |
| C32 | H10 | sing | 1.09Å | 1.10Å | |
| C33 | H11 | sing | 1.09Å | 1.10Å | |
| C41 | H12 | sing | 1.08Å | 1.08Å | |
| C42 | H13 | sing | 1.09Å | 1.10Å | |
| C52 | H14 | sing | 1.09Å | 1.10Å | |
| C53 | H15 | sing | 1.09Å | 1.10Å | |
| C53 | H16 | sing | 1.09Å | 1.10Å | |
| C61 | H17 | sing | 1.09Å | 1.10Å | |
| C61 | H18 | sing | 1.09Å | 1.10Å | |
| C62 | H19 | sing | 1.09Å | 1.10Å | |
| C83 | H20 | sing | 1.09Å | 1.10Å | |
| C83 | H21 | sing | 1.09Å | 1.10Å | |
| C83 | H22 | sing | 1.09Å | 1.10Å | |
| C93 | H23 | sing | 1.09Å | 1.10Å | |
| C93 | H24 | sing | 1.09Å | 1.10Å | |
| C93 | H25 | sing | 1.09Å | 1.10Å | |
| N12 | H26 | sing | 1.01Å | 1.00Å | |
| N12 | H27 | sing | 1.01Å | 1.00Å | |
| N21 | H29 | sing | 1.01Å | 1.00Å | |
| N21 | H30 | sing | 1.01Å | 1.00Å | |
| N32 | H32 | sing | 1.01Å | 1.00Å | |
| N32 | H33 | sing | 1.01Å | 1.00Å | |
| N33 | H35 | sing | 1.01Å | 1.00Å | |
| O23 | H37 | sing | 0.97Å | 0.95Å | |
| O43 | H38 | sing | 0.97Å | 0.95Å | |
| O52 | H39 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C93 | N33 | C33 | 116.0° | 111.0° |
| N33 | C93 | H23 | 109.5° | 109.5° |
| N33 | C93 | H24 | 109.5° | 109.5° |
| N33 | C93 | H25 | 109.4° | 109.5° |
| C93 | N33 | H35 | 107.8° | 111.0° |
| N33 | C33 | C23 | 109.9° | 109.6° |
| N33 | C33 | C43 | 108.4° | 109.5° |
| N33 | C33 | H11 | 111.3° | 109.6° |
| C33 | N33 | H35 | 107.8° | 111.0° |
| O23 | C23 | C33 | 111.3° | 109.6° |
| O23 | C23 | C13 | 108.0° | 109.5° |
| O23 | C23 | H7 | 111.6° | 109.5° |
| C23 | O23 | H37 | 109.5° | 114.0° |
| C23 | C33 | C43 | 108.5° | 109.0° |
| C33 | C23 | C13 | 107.5° | 109.2° |
| C33 | C23 | H7 | 109.0° | 109.5° |
| C23 | C33 | H11 | 109.6° | 109.6° |
| C33 | C43 | C83 | 115.3° | 109.6° |
| C33 | C43 | O43 | 112.3° | 109.5° |
| C33 | C43 | C53 | 109.2° | 109.1° |
| C43 | C33 | H11 | 109.2° | 109.6° |
| C23 | C13 | O62 | 105.9° | 109.5° |
| C23 | C13 | O53 | 110.3° | 109.4° |
| C23 | C13 | H3 | 108.8° | 109.5° |
| C13 | C23 | H7 | 109.4° | 109.6° |
| C83 | C43 | O43 | 105.4° | 109.6° |
| C83 | C43 | C53 | 105.7° | 109.5° |
| C43 | C83 | H20 | 109.5° | 109.4° |
| C43 | C83 | H21 | 109.5° | 109.5° |
| C43 | C83 | H22 | 109.5° | 109.5° |
| O43 | C43 | C53 | 108.5° | 109.5° |
| C43 | O43 | H38 | 109.5° | 114.0° |
| C43 | C53 | O53 | 109.4° | 109.4° |
| C43 | C53 | H15 | 109.5° | 109.5° |
| C43 | C53 | H16 | 109.5° | 109.5° |
| N12 | C12 | C62 | 109.3° | 109.5° |
| N12 | C12 | C22 | 107.8° | 109.4° |
| N12 | C12 | H2 | 111.5° | 109.4° |
| C12 | N12 | H26 | 109.5° | 111.0° |
| C12 | N12 | H27 | 109.5° | 111.0° |
| C13 | O62 | C62 | 123.7° | 114.0° |
| O62 | C13 | O53 | 111.8° | 109.5° |
| O62 | C13 | H3 | 110.4° | 109.5° |
| O62 | C62 | C12 | 109.7° | 109.5° |
| O62 | C62 | C52 | 107.8° | 109.5° |
| O62 | C62 | H19 | 112.2° | 109.5° |
| C13 | O53 | C53 | 115.9° | 114.1° |
| O53 | C13 | H3 | 109.4° | 109.5° |
| C62 | C12 | C22 | 110.0° | 109.5° |
| C12 | C62 | C52 | 108.1° | 109.5° |
| C62 | C12 | H2 | 109.2° | 109.5° |
| C12 | C62 | H19 | 109.4° | 109.5° |
| C12 | C22 | C32 | 108.5° | 109.5° |
| C22 | C12 | H2 | 109.0° | 109.4° |
| C12 | C22 | H5 | 109.7° | 109.5° |
| C12 | C22 | H6 | 109.7° | 109.5° |
| O53 | C53 | H15 | 109.5° | 109.5° |
| O53 | C53 | H16 | 109.5° | 109.5° |
| C62 | C52 | O52 | 108.0° | 109.5° |
| C62 | C52 | C42 | 109.0° | 109.5° |
| C62 | C52 | H14 | 109.6° | 109.4° |
| C52 | C62 | H19 | 109.5° | 109.4° |
| C22 | C32 | C42 | 109.0° | 109.5° |
| C22 | C32 | N32 | 109.4° | 109.5° |
| C32 | C22 | H5 | 109.7° | 109.4° |
| C32 | C22 | H6 | 109.7° | 109.4° |
| C22 | C32 | H10 | 108.9° | 109.4° |
| O52 | C52 | C42 | 109.4° | 109.5° |
| O52 | C52 | H14 | 111.5° | 109.5° |
| C52 | O52 | H39 | 109.5° | 114.0° |
| C52 | C42 | C32 | 109.8° | 109.5° |
| C52 | C42 | O11 | 110.9° | 109.5° |
| C52 | C42 | H13 | 108.9° | 109.5° |
| C42 | C52 | H14 | 109.2° | 109.4° |
| C42 | C32 | N32 | 109.7° | 109.5° |
| C32 | C42 | O11 | 106.1° | 109.5° |
| C42 | C32 | H10 | 109.2° | 109.4° |
| C32 | C42 | H13 | 109.2° | 109.4° |
| N32 | C32 | H10 | 110.5° | 109.5° |
| C32 | N32 | H32 | 109.5° | 111.0° |
| C32 | N32 | H33 | 109.5° | 111.1° |
| C42 | O11 | C11 | 125.9° | 114.0° |
| O11 | C42 | H13 | 112.1° | 109.5° |
| N21 | C21 | C31 | 113.0° | 109.7° |
| N21 | C21 | C11 | 107.5° | 109.7° |
| N21 | C21 | H4 | 109.1° | 109.7° |
| C21 | N21 | H29 | 109.5° | 111.0° |
| C21 | N21 | H30 | 109.4° | 111.0° |
| O11 | C11 | C21 | 106.5° | 109.8° |
| O11 | C11 | O51 | 112.5° | 109.7° |
| O11 | C11 | H1 | 111.0° | 109.7° |
| C31 | C21 | C11 | 112.2° | 108.2° |
| C21 | C31 | C41 | 113.1° | 109.4° |
| C31 | C21 | H4 | 107.2° | 109.7° |
| C21 | C31 | H8 | 108.6° | 109.5° |
| C21 | C31 | H9 | 108.5° | 109.5° |
| C21 | C11 | O51 | 107.7° | 108.3° |
| C21 | C11 | H1 | 108.6° | 109.7° |
| C11 | C21 | H4 | 107.7° | 109.7° |
| C31 | C41 | C51 | 120.7° | 122.5° |
| C41 | C31 | H8 | 108.6° | 109.5° |
| C41 | C31 | H9 | 108.5° | 109.5° |
| C31 | C41 | H12 | 119.7° | 118.7° |
| C11 | O51 | C51 | 117.3° | 117.6° |
| O51 | C11 | H1 | 110.3° | 109.7° |
| C41 | C51 | O51 | 122.0° | 123.4° |
| C41 | C51 | C61 | 122.1° | 118.3° |
| C51 | C41 | H12 | 119.7° | 118.8° |
| O51 | C51 | C61 | 115.9° | 118.3° |
| C51 | C61 | F61 | 111.3° | 109.5° |
| C51 | C61 | H17 | 109.0° | 109.4° |
| C51 | C61 | H18 | 109.0° | 109.5° |
| F61 | C61 | H17 | 109.0° | 109.5° |
| F61 | C61 | H18 | 109.0° | 109.4° |
| H5 | C22 | H6 | 109.5° | 109.5° |
| H8 | C31 | H9 | 109.5° | 109.5° |
| H15 | C53 | H16 | 109.5° | 109.5° |
| H17 | C61 | H18 | 109.5° | 109.5° |
| H20 | C83 | H21 | 109.4° | 109.4° |
| H20 | C83 | H22 | 109.5° | 109.4° |
| H21 | C83 | H22 | 109.5° | 109.5° |
| H23 | C93 | H24 | 109.4° | 109.5° |
| H23 | C93 | H25 | 109.5° | 109.4° |
| H24 | C93 | H25 | 109.5° | 109.5° |
| H26 | N12 | H27 | 109.5° | 111.0° |
| H29 | N21 | H30 | 109.5° | 111.0° |
| H32 | N32 | H33 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C93 | N33 | C33 | H35 | 121.0° | 124.0° |
| C93 | N33 | C33 | C23 | 101.4° | 85.0° |
| C93 | N33 | C33 | C43 | 140.2° | 155.5° |
| C93 | N33 | C33 | H11 | 20.2° | 35.3° |
| N33 | C93 | H23 | H24 | 120.0° | 120.1° |
| N33 | C93 | H23 | H25 | 120.0° | 120.0° |
| N33 | C93 | H24 | H25 | 120.0° | 120.0° |
| N33 | C33 | C23 | O23 | 61.6° | 63.2° |
| N33 | C33 | C23 | C43 | 118.4° | 119.8° |
| N33 | C33 | C23 | H11 | 122.6° | 120.3° |
| N33 | C33 | C43 | H11 | 121.4° | 120.2° |
| N33 | C33 | C23 | C13 | 179.6° | 176.9° |
| N33 | C33 | C43 | C83 | 61.1° | 63.3° |
| N33 | C33 | C43 | O43 | 59.7° | 57.0° |
| N33 | C33 | C43 | C53 | 180.0° | 176.9° |
| N33 | C33 | C23 | H7 | 62.0° | 56.9° |
| C33 | N33 | C93 | H23 | 180.0° | 60.1° |
| C33 | N33 | C93 | H24 | 60.0° | 60.0° |
| C33 | N33 | C93 | H25 | 60.0° | 180.0° |
| O23 | C23 | C33 | C13 | 118.0° | 119.9° |
| O23 | C23 | C33 | H7 | 123.5° | 120.1° |
| O23 | C23 | C33 | C43 | 179.9° | 176.9° |
| O23 | C23 | C13 | H7 | 121.6° | 120.1° |
| O23 | C23 | C13 | O62 | 58.3° | 57.6° |
| O23 | C23 | C13 | O53 | 179.5° | 177.6° |
| O23 | C23 | C13 | H3 | 60.4° | 62.4° |
| O23 | C23 | C33 | H11 | 61.0° | 57.0° |
| C23 | C33 | C43 | H11 | 119.3° | 119.9° |
| C33 | C23 | C13 | H7 | 118.2° | 119.9° |
| C23 | C33 | C43 | C83 | 179.6° | 176.9° |
| C23 | C33 | C43 | O43 | 59.6° | 62.9° |
| C23 | C33 | C43 | C53 | 60.8° | 57.0° |
| C33 | C23 | C13 | O62 | 61.8° | 62.4° |
| C33 | C23 | C13 | O53 | 59.4° | 57.6° |
| C33 | C23 | C13 | H3 | 179.5° | 177.6° |
| C23 | C33 | N33 | H35 | 137.7° | 151.0° |
| C33 | C23 | O23 | H37 | 180.0° | 179.7° |
| C43 | C33 | C23 | C13 | 62.1° | 57.0° |
| C33 | C43 | C83 | O43 | 124.4° | 120.2° |
| C33 | C43 | C83 | C53 | 120.7° | 119.6° |
| C33 | C43 | O43 | C53 | 120.8° | 119.7° |
| C33 | C43 | C53 | O53 | 54.7° | 57.6° |
| C43 | C33 | C23 | H7 | 56.4° | 62.9° |
| C33 | C43 | C53 | H15 | 65.3° | 62.3° |
| C33 | C43 | C53 | H16 | 174.7° | 177.6° |
| C33 | C43 | C83 | H20 | 180.0° | 60.0° |
| C33 | C43 | C83 | H21 | 60.0° | 180.0° |
| C33 | C43 | C83 | H22 | 60.0° | 60.0° |
| C43 | C33 | N33 | H35 | 19.3° | 31.5° |
| C33 | C43 | O43 | H38 | 180.0° | 180.0° |
| C23 | C13 | O62 | O53 | 120.2° | 119.9° |
| C23 | C13 | O62 | H3 | 117.7° | 120.0° |
| C23 | C13 | O62 | C62 | 145.9° | 170.1° |
| C23 | C13 | O53 | H3 | 119.7° | 120.0° |
| C23 | C13 | O53 | C53 | 57.6° | 61.2° |
| C13 | C23 | C33 | H11 | 57.0° | 62.9° |
| C13 | C23 | O23 | H37 | 62.3° | 60.0° |
| C83 | C43 | O43 | C53 | 112.9° | 120.1° |
| C83 | C43 | C53 | O53 | 179.4° | 177.5° |
| C83 | C43 | C33 | H11 | 60.3° | 57.0° |
| C83 | C43 | C53 | H15 | 59.4° | 57.6° |
| C83 | C43 | C53 | H16 | 60.7° | 62.5° |
| C43 | C83 | H20 | H21 | 120.0° | 120.0° |
| C43 | C83 | H20 | H22 | 120.0° | 120.0° |
| C43 | C83 | H21 | H22 | 120.0° | 120.1° |
| C83 | C43 | O43 | H38 | 53.6° | 59.8° |
| O43 | C43 | C53 | O53 | 67.9° | 62.3° |
| O43 | C43 | C33 | H11 | 178.9° | 177.2° |
| O43 | C43 | C53 | H15 | 172.1° | 177.7° |
| O43 | C43 | C53 | H16 | 52.0° | 57.7° |
| O43 | C43 | C83 | H20 | 55.6° | 60.2° |
| O43 | C43 | C83 | H21 | 175.5° | 59.8° |
| O43 | C43 | C83 | H22 | 64.5° | 179.9° |
| C43 | C53 | O53 | C13 | 54.7° | 61.2° |
| C43 | C53 | O53 | H15 | 120.0° | 120.0° |
| C43 | C53 | O53 | H16 | 120.0° | 120.0° |
| C53 | C43 | C33 | H11 | 58.6° | 62.9° |
| C43 | C53 | H15 | H16 | 120.0° | 120.1° |
| C53 | C43 | C83 | H20 | 59.3° | 179.6° |
| C53 | C43 | C83 | H21 | 60.7° | 60.4° |
| C53 | C43 | C83 | H22 | 179.3° | 59.7° |
| C53 | C43 | O43 | H38 | 59.2° | 60.3° |
| N12 | C12 | C62 | O62 | 62.2° | 60.0° |
| N12 | C12 | C62 | C22 | 118.2° | 120.0° |
| N12 | C12 | C62 | H2 | 122.2° | 120.0° |
| N12 | C12 | C22 | H2 | 121.2° | 119.9° |
| N12 | C12 | C62 | C52 | 179.6° | 180.0° |
| N12 | C12 | C22 | C32 | 179.8° | 180.0° |
| N12 | C12 | C22 | H5 | 60.3° | 60.1° |
| N12 | C12 | C22 | H6 | 60.0° | 60.0° |
| N12 | C12 | C62 | H19 | 61.2° | 60.1° |
| C12 | N12 | H26 | H27 | 120.0° | 124.0° |
| O62 | C13 | O53 | H3 | 122.7° | 120.0° |
| C13 | O62 | C62 | C12 | 112.3° | 150.0° |
| O62 | C13 | O53 | C53 | 60.1° | 58.8° |
| C13 | O62 | C62 | C52 | 130.2° | 90.0° |
| O62 | C13 | C23 | H7 | 179.9° | 177.7° |
| C13 | O62 | C62 | H19 | 9.5° | 30.0° |
| C62 | O62 | C13 | O53 | 93.9° | 70.0° |
| O62 | C62 | C12 | C52 | 117.3° | 120.0° |
| O62 | C62 | C12 | H19 | 123.4° | 120.0° |
| O62 | C62 | C12 | C22 | 179.6° | 180.0° |
| O62 | C62 | C52 | H19 | 122.3° | 120.0° |
| O62 | C62 | C52 | O52 | 61.2° | 59.9° |
| O62 | C62 | C52 | C42 | 179.9° | 180.0° |
| O62 | C62 | C12 | H2 | 60.0° | 60.0° |
| C62 | O62 | C13 | H3 | 28.2° | 50.0° |
| O62 | C62 | C52 | H14 | 60.5° | 60.1° |
| O53 | C13 | C23 | H7 | 58.9° | 62.3° |
| C13 | O53 | C53 | H15 | 65.2° | 58.8° |
| C13 | O53 | C53 | H16 | 174.7° | 178.9° |
| C62 | C12 | C22 | H2 | 119.7° | 120.0° |
| C12 | C62 | C52 | H19 | 119.2° | 120.0° |
| C62 | C12 | C22 | C32 | 61.1° | 60.0° |
| C12 | C62 | C52 | O52 | 179.7° | 180.0° |
| C12 | C62 | C52 | C42 | 61.4° | 60.0° |
| C62 | C12 | C22 | H5 | 58.8° | 60.0° |
| C62 | C12 | C22 | H6 | 179.1° | 180.0° |
| C12 | C62 | C52 | H14 | 58.1° | 60.0° |
| C62 | C12 | N12 | H26 | 180.0° | 180.0° |
| C62 | C12 | N12 | H27 | 60.0° | 56.0° |
| C22 | C12 | C62 | C52 | 62.3° | 60.0° |
| C12 | C22 | C32 | H5 | 119.8° | 120.0° |
| C12 | C22 | C32 | H6 | 119.8° | 120.0° |
| C12 | C22 | C32 | C42 | 59.4° | 59.9° |
| C12 | C22 | C32 | N32 | 179.5° | 180.0° |
| C12 | C22 | H5 | H6 | 120.4° | 120.1° |
| C12 | C22 | C32 | H10 | 59.6° | 60.0° |
| C22 | C12 | C62 | H19 | 57.0° | 59.9° |
| C22 | C12 | N12 | H26 | 60.4° | 60.0° |
| C22 | C12 | N12 | H27 | 59.5° | 64.0° |
| C53 | O53 | C13 | H3 | 177.3° | 178.8° |
| O53 | C53 | H15 | H16 | 120.1° | 120.0° |
| C62 | C52 | O52 | C42 | 118.6° | 120.0° |
| C62 | C52 | O52 | H14 | 120.5° | 120.0° |
| C62 | C52 | C42 | H14 | 119.7° | 120.0° |
| C62 | C52 | C42 | C32 | 61.4° | 60.0° |
| C62 | C52 | C42 | O11 | 178.3° | 180.0° |
| C52 | C62 | C12 | H2 | 57.3° | 60.0° |
| C62 | C52 | C42 | H13 | 58.0° | 60.0° |
| C62 | C52 | O52 | H39 | 180.0° | 175.3° |
| C22 | C32 | C42 | C52 | 60.0° | 60.0° |
| C22 | C32 | C42 | N32 | 119.8° | 120.1° |
| C22 | C32 | C42 | H10 | 118.9° | 119.9° |
| C22 | C32 | N32 | H10 | 119.9° | 120.0° |
| C22 | C32 | C42 | O11 | 179.8° | 180.0° |
| C32 | C22 | C12 | H2 | 58.6° | 60.0° |
| C32 | C22 | H5 | H6 | 120.5° | 120.0° |
| C22 | C32 | C42 | H13 | 59.2° | 60.1° |
| C22 | C32 | N32 | H32 | 180.0° | 60.0° |
| C22 | C32 | N32 | H33 | 60.0° | 176.0° |
| O52 | C52 | C42 | H14 | 122.3° | 120.0° |
| O52 | C52 | C42 | C32 | 179.4° | 180.0° |
| O52 | C52 | C42 | O11 | 63.7° | 60.0° |
| O52 | C52 | C42 | H13 | 60.0° | 60.0° |
| O52 | C52 | C62 | H19 | 61.1° | 60.0° |
| C52 | C42 | C32 | O11 | 119.8° | 120.0° |
| C52 | C42 | C32 | H13 | 119.2° | 120.0° |
| C52 | C42 | C32 | N32 | 179.9° | 180.0° |
| C52 | C42 | O11 | H13 | 121.8° | 120.1° |
| C52 | C42 | O11 | C11 | 81.5° | 100.1° |
| C52 | C42 | C32 | H10 | 58.9° | 60.0° |
| C42 | C52 | C62 | H19 | 57.8° | 60.0° |
| C42 | C52 | O52 | H39 | 61.4° | 64.6° |
| C42 | C32 | N32 | H10 | 120.5° | 120.0° |
| C32 | C42 | O11 | H13 | 119.0° | 119.9° |
| C32 | C42 | O11 | C11 | 159.3° | 139.9° |
| C42 | C32 | C22 | H5 | 60.4° | 60.0° |
| C42 | C32 | C22 | H6 | 179.3° | 180.0° |
| C32 | C42 | C52 | H14 | 58.3° | 60.0° |
| C42 | C32 | N32 | H32 | 60.4° | 180.0° |
| C42 | C32 | N32 | H33 | 59.6° | 56.0° |
| N32 | C32 | C42 | O11 | 60.3° | 60.0° |
| N32 | C32 | C22 | H5 | 59.6° | 60.0° |
| N32 | C32 | C22 | H6 | 60.7° | 60.0° |
| N32 | C32 | C42 | H13 | 60.6° | 60.0° |
| C32 | N32 | H32 | H33 | 120.0° | 124.0° |
| C42 | O11 | C11 | C21 | 144.2° | 169.9° |
| C42 | O11 | C11 | O51 | 98.0° | 71.2° |
| C42 | O11 | C11 | H1 | 26.1° | 49.3° |
| O11 | C42 | C32 | H10 | 60.9° | 60.0° |
| O11 | C42 | C52 | H14 | 58.6° | 60.0° |
| N21 | C21 | C11 | O11 | 57.9° | 62.4° |
| N21 | C21 | C31 | C11 | 121.7° | 119.7° |
| N21 | C21 | C31 | H4 | 120.2° | 120.7° |
| N21 | C21 | C11 | H4 | 117.4° | 120.6° |
| N21 | C21 | C31 | C41 | 148.5° | 72.9° |
| N21 | C21 | C11 | O51 | 178.8° | 57.3° |
| N21 | C21 | C11 | H1 | 61.8° | 177.0° |
| N21 | C21 | C31 | H8 | 28.0° | 47.1° |
| N21 | C21 | C31 | H9 | 91.0° | 167.1° |
| C21 | N21 | H29 | H30 | 120.0° | 124.0° |
| O11 | C11 | C21 | C31 | 66.9° | 177.9° |
| O11 | C11 | C21 | O51 | 120.9° | 119.8° |
| O11 | C11 | C21 | H1 | 119.7° | 120.6° |
| O11 | C11 | O51 | H1 | 124.5° | 120.6° |
| O11 | C11 | O51 | C51 | 59.5° | 167.3° |
| O11 | C11 | C21 | H4 | 175.4° | 58.2° |
| C11 | O11 | C42 | H13 | 40.3° | 20.0° |
| C31 | C21 | C11 | H4 | 117.7° | 119.7° |
| C21 | C31 | C41 | H8 | 120.5° | 120.0° |
| C21 | C31 | C41 | H9 | 120.5° | 120.0° |
| C31 | C21 | C11 | O51 | 54.0° | 62.4° |
| C21 | C31 | C41 | C51 | 0.6° | 17.4° |
| C31 | C21 | C11 | H1 | 173.4° | 57.3° |
| C21 | C31 | H8 | H9 | 118.3° | 120.0° |
| C21 | C31 | C41 | H12 | 179.4° | 162.5° |
| C31 | C21 | N21 | H29 | 180.0° | 60.0° |
| C31 | C21 | N21 | H30 | 60.0° | 64.0° |
| C11 | C21 | C31 | C41 | 26.8° | 46.8° |
| C21 | C11 | O51 | H1 | 118.4° | 119.6° |
| C21 | C11 | O51 | C51 | 57.6° | 47.5° |
| C11 | C21 | C31 | H8 | 93.7° | 166.8° |
| C11 | C21 | C31 | H9 | 147.3° | 73.2° |
| C11 | C21 | N21 | H29 | 55.7° | 178.7° |
| C11 | C21 | N21 | H30 | 175.7° | 54.8° |
| C31 | C41 | C51 | H12 | 180.0° | 179.9° |
| C31 | C41 | C51 | O51 | 0.3° | 0.4° |
| C31 | C41 | C51 | C61 | 179.9° | 179.6° |
| C41 | C31 | C21 | H4 | 91.3° | 166.5° |
| C41 | C31 | H8 | H9 | 118.3° | 120.1° |
| C11 | O51 | C51 | C41 | 31.3° | 16.6° |
| C11 | O51 | C51 | C61 | 148.5° | 163.4° |
| O51 | C11 | C21 | H4 | 63.8° | 177.9° |
| C41 | C51 | O51 | C61 | 179.8° | 180.0° |
| C41 | C51 | C61 | F61 | 179.9° | 95.0° |
| C51 | C41 | C31 | H8 | 121.1° | 137.4° |
| C51 | C41 | C31 | H9 | 119.9° | 102.5° |
| C41 | C51 | C61 | H17 | 59.6° | 145.0° |
| C41 | C51 | C61 | H18 | 59.8° | 25.0° |
| O51 | C51 | C61 | F61 | 0.1° | 85.0° |
| C51 | O51 | C11 | H1 | 176.0° | 72.1° |
| O51 | C51 | C41 | H12 | 179.7° | 179.5° |
| O51 | C51 | C61 | H17 | 120.2° | 35.0° |
| O51 | C51 | C61 | H18 | 120.3° | 155.0° |
| C51 | C61 | F61 | H17 | 120.3° | 120.0° |
| C51 | C61 | F61 | H18 | 120.3° | 120.0° |
| C61 | C51 | C41 | H12 | 0.1° | 0.5° |
| C51 | C61 | H17 | H18 | 119.2° | 120.0° |
| F61 | C61 | H17 | H18 | 119.2° | 120.0° |
| H1 | C11 | C21 | H4 | 55.7° | 62.4° |
| H2 | C12 | C22 | H5 | 178.5° | 180.0° |
| H2 | C12 | C22 | H6 | 61.2° | 59.9° |
| H2 | C12 | C62 | H19 | 176.6° | 179.9° |
| H2 | C12 | N12 | H26 | 59.2° | 60.0° |
| H2 | C12 | N12 | H27 | 179.2° | 176.1° |
| H3 | C13 | C23 | H7 | 61.2° | 57.7° |
| H4 | C21 | C31 | H8 | 148.2° | 73.5° |
| H4 | C21 | C31 | H9 | 29.2° | 46.5° |
| H4 | C21 | N21 | H29 | 60.9° | 60.7° |
| H4 | C21 | N21 | H30 | 59.1° | 175.4° |
| H5 | C22 | C32 | H10 | 179.5° | 180.0° |
| H6 | C22 | C32 | H10 | 60.2° | 60.0° |
| H7 | C23 | C33 | H11 | 175.5° | 177.2° |
| H7 | C23 | O23 | H37 | 57.9° | 60.1° |
| H8 | C31 | C41 | H12 | 58.9° | 42.5° |
| H9 | C31 | C41 | H12 | 60.1° | 77.6° |
| H10 | C32 | C42 | H13 | 178.1° | 180.0° |
| H10 | C32 | N32 | H32 | 60.1° | 60.0° |
| H10 | C32 | N32 | H33 | 179.9° | 64.0° |
| H11 | C33 | N33 | H35 | 100.8° | 88.7° |
| H13 | C42 | C52 | H14 | 177.7° | 180.0° |
| H14 | C52 | C62 | H19 | 177.2° | 180.0° |
| H14 | C52 | O52 | H39 | 59.5° | 55.4° |
| H20 | C83 | H21 | H22 | 120.0° | 119.9° |
| H23 | C93 | H24 | H25 | 120.0° | 119.9° |
| H23 | C93 | N33 | H35 | 59.0° | 63.9° |
| H24 | C93 | N33 | H35 | 61.0° | 176.0° |
| H25 | C93 | N33 | H35 | 179.0° | 56.0° |
