SIS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O43 | C43 | sing | 1.43Å | 1.42Å | |
| C83 | C43 | sing | 1.53Å | 1.55Å | |
| C43 | C53 | sing | 1.53Å | 1.57Å | |
| C43 | C33 | sing | 1.53Å | 1.61Å | |
| N33 | C33 | sing | 1.47Å | 1.49Å | |
| N33 | C93 | sing | 1.47Å | 1.48Å | |
| C53 | O53 | sing | 1.43Å | 1.52Å | |
| C33 | C23 | sing | 1.53Å | 1.59Å | |
| O53 | C13 | sing | 1.43Å | 1.49Å | |
| C23 | C13 | sing | 1.53Å | 1.55Å | |
| C23 | O23 | sing | 1.43Å | 1.41Å | |
| C13 | O62 | sing | 1.43Å | 1.44Å | |
| O62 | C62 | sing | 1.43Å | 1.40Å | |
| O52 | C52 | sing | 1.43Å | 1.43Å | |
| C62 | C52 | sing | 1.53Å | 1.58Å | |
| C62 | C12 | sing | 1.53Å | 1.55Å | |
| N12 | C12 | sing | 1.47Å | 1.43Å | |
| C52 | C42 | sing | 1.53Å | 1.59Å | |
| C12 | C22 | sing | 1.53Å | 1.59Å | |
| C42 | O11 | sing | 1.43Å | 1.41Å | |
| C42 | C32 | sing | 1.53Å | 1.56Å | |
| C22 | C32 | sing | 1.53Å | 1.58Å | |
| C11 | O11 | sing | 1.43Å | 1.41Å | |
| C11 | O51 | sing | 1.43Å | 1.45Å | |
| C11 | C21 | sing | 1.53Å | 1.57Å | |
| N21 | C21 | sing | 1.47Å | 1.47Å | |
| O51 | C51 | sing | 1.35Å | 1.43Å | |
| C32 | N32 | sing | 1.47Å | 1.48Å | |
| C21 | C31 | sing | 1.53Å | 1.58Å | |
| C51 | C61 | sing | 1.51Å | 1.54Å | |
| C51 | C41 | doub | 1.31Å | 1.35Å | |
| N61 | C61 | sing | 1.47Å | 1.45Å | |
| C31 | C41 | sing | 1.50Å | 1.57Å | |
| 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 | |
| N61 | H37 | sing | 1.01Å | 1.00Å | |
| N61 | H38 | sing | 1.01Å | 1.00Å | |
| O23 | H40 | sing | 0.97Å | 0.95Å | |
| O43 | H41 | sing | 0.97Å | 0.95Å | |
| O52 | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O43 | C43 | C83 | 104.8° | 109.6° |
| O43 | C43 | C53 | 109.2° | 109.5° |
| O43 | C43 | C33 | 110.9° | 109.5° |
| C43 | O43 | H41 | 109.5° | 114.0° |
| C83 | C43 | C53 | 106.7° | 109.5° |
| C83 | C43 | C33 | 115.9° | 109.5° |
| C43 | C83 | H20 | 109.5° | 109.5° |
| C43 | C83 | H21 | 109.5° | 109.5° |
| C43 | C83 | H22 | 109.5° | 109.5° |
| C53 | C43 | C33 | 109.1° | 109.2° |
| C43 | C53 | O53 | 109.7° | 109.4° |
| C43 | C53 | H15 | 109.4° | 109.5° |
| C43 | C53 | H16 | 109.4° | 109.5° |
| C43 | C33 | N33 | 109.6° | 109.6° |
| C43 | C33 | C23 | 109.1° | 109.0° |
| C43 | C33 | H11 | 108.9° | 109.5° |
| C33 | N33 | C93 | 115.7° | 111.0° |
| N33 | C33 | C23 | 109.7° | 109.5° |
| N33 | C33 | H11 | 110.5° | 109.6° |
| C33 | N33 | H35 | 107.9° | 111.0° |
| N33 | C93 | H23 | 109.5° | 109.5° |
| N33 | C93 | H24 | 109.5° | 109.5° |
| N33 | C93 | H25 | 109.5° | 109.4° |
| C93 | N33 | H35 | 107.9° | 111.0° |
| C53 | O53 | C13 | 116.1° | 114.1° |
| O53 | C53 | H15 | 109.4° | 109.4° |
| O53 | C53 | H16 | 109.4° | 109.5° |
| C33 | C23 | C13 | 107.8° | 109.2° |
| C33 | C23 | O23 | 111.1° | 109.5° |
| C33 | C23 | H7 | 108.5° | 109.6° |
| C23 | C33 | H11 | 109.1° | 109.5° |
| O53 | C13 | C23 | 111.1° | 109.5° |
| O53 | C13 | O62 | 110.3° | 109.5° |
| O53 | C13 | H3 | 109.6° | 109.5° |
| C13 | C23 | O23 | 109.3° | 109.6° |
| C23 | C13 | O62 | 106.7° | 109.4° |
| C23 | C13 | H3 | 108.8° | 109.4° |
| C13 | C23 | H7 | 109.0° | 109.5° |
| O23 | C23 | H7 | 111.0° | 109.5° |
| C23 | O23 | H40 | 109.5° | 114.0° |
| C13 | O62 | C62 | 121.5° | 114.0° |
| O62 | C13 | H3 | 110.3° | 109.5° |
| O62 | C62 | C52 | 109.0° | 109.5° |
| O62 | C62 | C12 | 108.9° | 109.5° |
| O62 | C62 | H19 | 111.6° | 109.5° |
| O52 | C52 | C62 | 108.9° | 109.5° |
| O52 | C52 | C42 | 108.9° | 109.5° |
| O52 | C52 | H14 | 111.1° | 109.4° |
| C52 | O52 | H42 | 109.5° | 114.0° |
| C52 | C62 | C12 | 108.9° | 109.4° |
| C62 | C52 | C42 | 109.8° | 109.5° |
| C62 | C52 | H14 | 109.1° | 109.5° |
| C52 | C62 | H19 | 109.0° | 109.5° |
| C62 | C12 | N12 | 108.1° | 109.5° |
| C62 | C12 | C22 | 109.4° | 109.5° |
| C62 | C12 | H2 | 109.5° | 109.5° |
| C12 | C62 | H19 | 109.4° | 109.4° |
| N12 | C12 | C22 | 109.9° | 109.5° |
| N12 | C12 | H2 | 111.1° | 109.4° |
| C12 | N12 | H26 | 109.5° | 111.0° |
| C12 | N12 | H27 | 109.5° | 111.0° |
| C52 | C42 | O11 | 111.5° | 109.5° |
| C52 | C42 | C32 | 109.9° | 109.5° |
| C52 | C42 | H13 | 108.6° | 109.5° |
| C42 | C52 | H14 | 108.9° | 109.5° |
| C12 | C22 | C32 | 109.2° | 109.5° |
| C22 | C12 | H2 | 108.8° | 109.5° |
| C12 | C22 | H5 | 109.5° | 109.5° |
| C12 | C22 | H6 | 109.5° | 109.5° |
| O11 | C42 | C32 | 106.6° | 109.5° |
| C42 | O11 | C11 | 124.1° | 114.1° |
| O11 | C42 | H13 | 111.2° | 109.4° |
| C42 | C32 | C22 | 109.8° | 109.4° |
| C42 | C32 | N32 | 109.0° | 109.5° |
| C42 | C32 | H10 | 108.9° | 109.4° |
| C32 | C42 | H13 | 109.0° | 109.5° |
| C22 | C32 | N32 | 110.6° | 109.5° |
| C32 | C22 | H5 | 109.6° | 109.5° |
| C32 | C22 | H6 | 109.6° | 109.4° |
| C22 | C32 | H10 | 108.6° | 109.5° |
| O11 | C11 | O51 | 112.8° | 109.7° |
| O11 | C11 | C21 | 105.5° | 109.7° |
| O11 | C11 | H1 | 110.3° | 109.7° |
| O51 | C11 | C21 | 110.2° | 108.3° |
| C11 | O51 | C51 | 118.6° | 117.7° |
| O51 | C11 | H1 | 109.7° | 109.7° |
| C11 | C21 | N21 | 108.2° | 109.7° |
| C11 | C21 | C31 | 110.3° | 108.1° |
| C21 | C11 | H1 | 108.1° | 109.7° |
| C11 | C21 | H4 | 108.6° | 109.7° |
| N21 | C21 | C31 | 111.3° | 109.7° |
| N21 | C21 | H4 | 110.0° | 109.8° |
| C21 | N21 | H29 | 109.5° | 111.0° |
| C21 | N21 | H30 | 109.4° | 111.0° |
| O51 | C51 | C61 | 114.2° | 118.4° |
| O51 | C51 | C41 | 123.2° | 123.3° |
| N32 | C32 | H10 | 109.9° | 109.5° |
| C32 | N32 | H32 | 109.5° | 111.0° |
| C32 | N32 | H33 | 109.5° | 111.0° |
| C21 | C31 | C41 | 111.9° | 109.4° |
| C31 | C21 | H4 | 108.5° | 109.7° |
| C21 | C31 | H8 | 108.9° | 109.5° |
| C21 | C31 | H9 | 108.9° | 109.5° |
| C61 | C51 | C41 | 122.6° | 118.3° |
| C51 | C61 | N61 | 108.9° | 109.4° |
| C51 | C61 | H17 | 109.6° | 109.5° |
| C51 | C61 | H18 | 109.6° | 109.5° |
| C51 | C41 | C31 | 121.1° | 122.5° |
| C51 | C41 | H12 | 119.4° | 118.8° |
| N61 | C61 | H17 | 109.6° | 109.5° |
| N61 | C61 | H18 | 109.6° | 109.4° |
| C61 | N61 | H37 | 109.5° | 111.0° |
| C61 | N61 | H38 | 109.5° | 111.0° |
| C41 | C31 | H8 | 108.9° | 109.5° |
| C41 | C31 | H9 | 108.9° | 109.5° |
| C31 | C41 | H12 | 119.4° | 118.7° |
| H5 | C22 | H6 | 109.4° | 109.4° |
| H8 | C31 | H9 | 109.5° | 109.5° |
| H15 | C53 | H16 | 109.4° | 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 | 109.4° | 109.5° |
| H23 | C93 | H24 | 109.5° | 109.5° |
| H23 | C93 | H25 | 109.5° | 109.4° |
| H24 | C93 | H25 | 109.5° | 109.5° |
| H26 | N12 | H27 | 109.4° | 111.0° |
| H29 | N21 | H30 | 109.5° | 111.0° |
| H32 | N32 | H33 | 109.4° | 111.0° |
| H37 | N61 | H38 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O43 | C43 | C83 | C53 | 115.8° | 120.2° |
| O43 | C43 | C83 | C33 | 122.5° | 120.1° |
| O43 | C43 | C53 | C33 | 121.3° | 119.9° |
| O43 | C43 | C33 | N33 | 59.2° | 57.0° |
| O43 | C43 | C53 | O53 | 67.4° | 62.3° |
| O43 | C43 | C33 | C23 | 61.0° | 62.9° |
| O43 | C43 | C33 | H11 | 179.9° | 177.3° |
| O43 | C43 | C53 | H15 | 172.5° | 177.7° |
| O43 | C43 | C53 | H16 | 52.6° | 57.7° |
| O43 | C43 | C83 | H20 | 180.0° | 179.8° |
| O43 | C43 | C83 | H21 | 60.0° | 59.9° |
| O43 | C43 | C83 | H22 | 60.0° | 60.2° |
| C83 | C43 | C53 | C33 | 125.9° | 119.9° |
| C83 | C43 | C33 | N33 | 60.1° | 63.2° |
| C83 | C43 | C53 | O53 | 179.8° | 177.5° |
| C83 | C43 | C33 | C23 | 179.8° | 176.9° |
| C83 | C43 | C33 | H11 | 60.8° | 57.1° |
| C83 | C43 | C53 | H15 | 59.8° | 57.6° |
| C83 | C43 | C53 | H16 | 60.1° | 62.5° |
| C43 | C83 | H20 | H21 | 120.0° | 120.0° |
| C43 | C83 | H20 | H22 | 120.1° | 120.0° |
| C43 | C83 | H21 | H22 | 120.0° | 120.0° |
| C83 | C43 | O43 | H41 | 180.0° | 60.2° |
| C53 | C43 | C33 | N33 | 179.5° | 176.9° |
| C43 | C53 | O53 | H15 | 120.1° | 120.0° |
| C43 | C53 | O53 | H16 | 120.1° | 120.0° |
| C53 | C43 | C33 | C23 | 59.4° | 57.0° |
| C43 | C53 | O53 | C13 | 54.3° | 61.1° |
| C53 | C43 | C33 | H11 | 59.6° | 62.8° |
| C43 | C53 | H15 | H16 | 119.9° | 120.1° |
| C53 | C43 | C83 | H20 | 64.3° | 60.0° |
| C53 | C43 | C83 | H21 | 175.8° | 180.0° |
| C53 | C43 | C83 | H22 | 55.8° | 59.9° |
| C53 | C43 | O43 | H41 | 66.0° | 60.0° |
| C43 | C33 | N33 | C23 | 119.8° | 119.6° |
| C43 | C33 | N33 | H11 | 119.9° | 120.2° |
| C43 | C33 | N33 | C93 | 146.2° | 155.4° |
| C33 | C43 | C53 | O53 | 53.9° | 57.6° |
| C43 | C33 | C23 | H11 | 118.8° | 119.8° |
| C43 | C33 | C23 | C13 | 60.7° | 56.9° |
| C43 | C33 | C23 | O23 | 179.6° | 176.9° |
| C43 | C33 | C23 | H7 | 57.3° | 63.0° |
| C33 | C43 | C53 | H15 | 66.1° | 62.4° |
| C33 | C43 | C53 | H16 | 174.0° | 177.6° |
| C33 | C43 | C83 | H20 | 57.4° | 59.7° |
| C33 | C43 | C83 | H21 | 62.5° | 60.3° |
| C33 | C43 | C83 | H22 | 177.5° | 179.7° |
| C43 | C33 | N33 | H35 | 92.9° | 80.6° |
| C33 | C43 | O43 | H41 | 54.2° | 179.7° |
| C33 | N33 | C93 | H35 | 120.9° | 124.0° |
| N33 | C33 | C23 | H11 | 121.1° | 120.2° |
| N33 | C33 | C23 | C13 | 179.3° | 176.9° |
| N33 | C33 | C23 | O23 | 59.5° | 63.2° |
| N33 | C33 | C23 | H7 | 62.7° | 57.0° |
| C33 | N33 | C93 | H23 | 180.0° | 60.0° |
| C33 | N33 | C93 | H24 | 60.0° | 60.0° |
| C33 | N33 | C93 | H25 | 60.0° | 179.9° |
| C93 | N33 | C33 | C23 | 94.1° | 85.0° |
| C93 | N33 | C33 | H11 | 26.2° | 35.2° |
| N33 | C93 | H23 | H24 | 120.0° | 120.0° |
| N33 | C93 | H23 | H25 | 120.0° | 119.9° |
| N33 | C93 | H24 | H25 | 120.0° | 120.0° |
| C53 | O53 | C13 | C23 | 57.1° | 61.1° |
| C53 | O53 | C13 | O62 | 61.0° | 58.8° |
| C53 | O53 | C13 | H3 | 177.4° | 178.9° |
| O53 | C53 | H15 | H16 | 119.9° | 120.0° |
| C33 | C23 | C13 | O53 | 58.3° | 57.6° |
| C33 | C23 | C13 | O23 | 120.9° | 119.9° |
| C33 | C23 | C13 | H7 | 117.7° | 119.9° |
| C33 | C23 | O23 | H7 | 120.8° | 120.2° |
| C33 | C23 | C13 | O62 | 61.9° | 62.4° |
| C33 | C23 | C13 | H3 | 179.1° | 177.6° |
| C23 | C33 | N33 | H35 | 26.9° | 38.9° |
| C33 | C23 | O23 | H40 | 180.0° | 179.7° |
| O53 | C13 | C23 | O62 | 120.3° | 120.0° |
| O53 | C13 | C23 | H3 | 120.7° | 120.0° |
| O53 | C13 | C23 | O23 | 179.2° | 177.5° |
| O53 | C13 | O62 | H3 | 121.1° | 120.1° |
| O53 | C13 | O62 | C62 | 91.2° | 70.0° |
| O53 | C13 | C23 | H7 | 59.3° | 62.3° |
| C13 | O53 | C53 | H15 | 65.8° | 58.9° |
| C13 | O53 | C53 | H16 | 174.3° | 178.9° |
| C13 | C23 | O23 | H7 | 120.3° | 120.1° |
| C23 | C13 | O62 | H3 | 118.0° | 120.0° |
| C23 | C13 | O62 | C62 | 148.0° | 170.0° |
| C13 | C23 | C33 | H11 | 58.2° | 62.9° |
| C13 | C23 | O23 | H40 | 61.1° | 60.0° |
| O23 | C23 | C13 | O62 | 58.9° | 57.6° |
| O23 | C23 | C13 | H3 | 60.0° | 62.4° |
| O23 | C23 | C33 | H11 | 61.6° | 57.1° |
| C13 | O62 | C62 | C52 | 130.7° | 90.0° |
| C13 | O62 | C62 | C12 | 110.6° | 150.0° |
| O62 | C13 | C23 | H7 | 179.6° | 177.7° |
| C13 | O62 | C62 | H19 | 10.2° | 30.0° |
| O62 | C62 | C52 | O52 | 61.4° | 60.0° |
| O62 | C62 | C52 | C12 | 118.7° | 120.0° |
| O62 | C62 | C52 | H19 | 122.0° | 120.1° |
| O62 | C62 | C12 | H19 | 122.1° | 120.0° |
| O62 | C62 | C12 | N12 | 59.6° | 60.0° |
| O62 | C62 | C52 | C42 | 179.4° | 180.0° |
| O62 | C62 | C12 | C22 | 179.3° | 180.0° |
| O62 | C62 | C12 | H2 | 61.5° | 60.0° |
| C62 | O62 | C13 | H3 | 30.0° | 50.0° |
| O62 | C62 | C52 | H14 | 60.1° | 59.9° |
| O52 | C52 | C62 | C42 | 119.2° | 120.0° |
| O52 | C52 | C62 | H14 | 121.5° | 119.9° |
| O52 | C52 | C62 | C12 | 179.9° | 180.0° |
| O52 | C52 | C42 | H14 | 121.4° | 120.0° |
| O52 | C52 | C42 | O11 | 64.1° | 59.9° |
| O52 | C52 | C42 | C32 | 177.9° | 180.0° |
| O52 | C52 | C42 | H13 | 58.8° | 60.0° |
| O52 | C52 | C62 | H19 | 60.6° | 60.1° |
| C52 | C62 | C12 | H19 | 119.1° | 120.0° |
| C52 | C62 | C12 | N12 | 178.4° | 180.0° |
| C62 | C52 | C42 | H14 | 119.4° | 120.0° |
| C52 | C62 | C12 | C22 | 61.9° | 60.0° |
| C62 | C52 | C42 | O11 | 176.7° | 179.9° |
| C62 | C52 | C42 | C32 | 58.7° | 60.0° |
| C52 | C62 | C12 | H2 | 57.2° | 60.0° |
| C62 | C52 | C42 | H13 | 60.4° | 60.0° |
| C62 | C52 | O52 | H42 | 180.0° | 175.2° |
| C62 | C12 | N12 | C22 | 119.4° | 120.1° |
| C62 | C12 | N12 | H2 | 120.1° | 120.0° |
| C12 | C62 | C52 | C42 | 60.7° | 60.0° |
| C62 | C12 | C22 | H2 | 119.5° | 120.0° |
| C62 | C12 | C22 | C32 | 61.2° | 60.0° |
| C62 | C12 | C22 | H5 | 58.8° | 60.0° |
| C62 | C12 | C22 | H6 | 178.8° | 180.0° |
| C12 | C62 | C52 | H14 | 58.6° | 60.1° |
| C62 | C12 | N12 | H26 | 180.0° | 180.0° |
| C62 | C12 | N12 | H27 | 60.0° | 56.0° |
| N12 | C12 | C22 | H2 | 121.9° | 119.9° |
| N12 | C12 | C22 | C32 | 179.8° | 179.9° |
| N12 | C12 | C22 | H5 | 59.8° | 60.0° |
| N12 | C12 | C22 | H6 | 60.2° | 60.0° |
| N12 | C12 | C62 | H19 | 62.5° | 60.0° |
| C12 | N12 | H26 | H27 | 120.0° | 124.0° |
| C52 | C42 | O11 | C32 | 119.9° | 120.1° |
| C52 | C42 | O11 | H13 | 121.4° | 120.0° |
| C52 | C42 | C32 | H13 | 118.9° | 120.0° |
| C52 | C42 | C32 | C22 | 57.8° | 60.0° |
| C52 | C42 | O11 | C11 | 72.9° | 100.0° |
| C52 | C42 | C32 | N32 | 179.2° | 180.0° |
| C52 | C42 | C32 | H10 | 61.0° | 60.0° |
| C42 | C52 | C62 | H19 | 58.6° | 60.0° |
| C42 | C52 | O52 | H42 | 60.3° | 64.7° |
| C12 | C22 | C32 | C42 | 58.8° | 60.0° |
| C12 | C22 | C32 | H5 | 119.9° | 120.0° |
| C12 | C22 | C32 | H6 | 120.0° | 120.0° |
| C12 | C22 | C32 | N32 | 179.2° | 180.0° |
| C12 | C22 | H5 | H6 | 120.1° | 120.0° |
| C12 | C22 | C32 | H10 | 60.1° | 60.0° |
| C22 | C12 | C62 | H19 | 57.2° | 60.0° |
| C22 | C12 | N12 | H26 | 60.6° | 60.0° |
| C22 | C12 | N12 | H27 | 59.4° | 64.0° |
| O11 | C42 | C32 | H13 | 120.1° | 120.0° |
| O11 | C42 | C32 | C22 | 178.8° | 180.0° |
| C42 | O11 | C11 | O51 | 90.2° | 71.2° |
| C42 | O11 | C11 | C21 | 149.5° | 170.0° |
| O11 | C42 | C32 | N32 | 59.9° | 60.0° |
| C42 | O11 | C11 | H1 | 32.9° | 49.3° |
| O11 | C42 | C32 | H10 | 60.0° | 60.1° |
| O11 | C42 | C52 | H14 | 57.3° | 60.0° |
| C42 | C32 | C22 | N32 | 120.3° | 120.0° |
| C42 | C32 | C22 | H10 | 119.0° | 119.9° |
| C32 | C42 | O11 | C11 | 167.1° | 139.9° |
| C42 | C32 | N32 | H10 | 119.2° | 120.0° |
| C42 | C32 | C22 | H5 | 61.1° | 60.1° |
| C42 | C32 | C22 | H6 | 178.8° | 180.0° |
| C32 | C42 | C52 | H14 | 60.7° | 60.0° |
| C42 | C32 | N32 | H32 | 180.0° | 180.0° |
| C42 | C32 | N32 | H33 | 60.0° | 56.1° |
| C22 | C32 | N32 | H10 | 119.9° | 120.1° |
| C32 | C22 | C12 | H2 | 58.4° | 60.0° |
| C32 | C22 | H5 | H6 | 120.1° | 119.9° |
| C22 | C32 | C42 | H13 | 61.1° | 60.0° |
| C22 | C32 | N32 | H32 | 59.2° | 60.1° |
| C22 | C32 | N32 | H33 | 179.1° | 176.1° |
| O11 | C11 | O51 | C21 | 117.6° | 119.8° |
| O11 | C11 | O51 | H1 | 123.5° | 120.5° |
| O11 | C11 | C21 | H1 | 118.1° | 120.6° |
| O11 | C11 | C21 | N21 | 56.6° | 62.4° |
| O11 | C11 | O51 | C51 | 71.9° | 167.3° |
| O11 | C11 | C21 | C31 | 65.4° | 177.9° |
| O11 | C11 | C21 | H4 | 175.9° | 58.2° |
| C11 | O11 | C42 | H13 | 48.4° | 19.9° |
| O51 | C11 | C21 | H1 | 119.9° | 119.7° |
| O51 | C11 | C21 | N21 | 178.6° | 57.3° |
| O51 | C11 | C21 | C31 | 56.6° | 62.4° |
| C11 | O51 | C51 | C61 | 162.7° | 163.4° |
| C11 | O51 | C51 | C41 | 17.4° | 16.6° |
| O51 | C11 | C21 | H4 | 62.1° | 178.0° |
| C11 | C21 | N21 | C31 | 121.3° | 118.7° |
| C11 | C21 | N21 | H4 | 118.4° | 120.7° |
| C21 | C11 | O51 | C51 | 45.6° | 47.5° |
| C11 | C21 | C31 | H4 | 118.8° | 119.7° |
| C11 | C21 | C31 | C41 | 40.4° | 46.8° |
| C11 | C21 | C31 | H8 | 79.9° | 166.8° |
| C11 | C21 | C31 | H9 | 160.8° | 73.2° |
| C11 | C21 | N21 | H29 | 180.0° | 180.0° |
| C11 | C21 | N21 | H30 | 60.0° | 56.1° |
| N21 | C21 | C31 | H4 | 121.1° | 120.7° |
| N21 | C21 | C31 | C41 | 160.6° | 72.8° |
| N21 | C21 | C11 | H1 | 61.5° | 177.0° |
| N21 | C21 | C31 | H8 | 40.2° | 47.2° |
| N21 | C21 | C31 | H9 | 79.1° | 167.2° |
| C21 | N21 | H29 | H30 | 120.0° | 123.9° |
| O51 | C51 | C61 | C41 | 179.9° | 180.0° |
| O51 | C51 | C61 | N61 | 56.5° | 65.0° |
| O51 | C51 | C41 | C31 | 0.0° | 0.5° |
| C51 | O51 | C11 | H1 | 164.6° | 72.2° |
| O51 | C51 | C41 | H12 | 180.0° | 179.6° |
| O51 | C51 | C61 | H17 | 176.4° | 55.0° |
| O51 | C51 | C61 | H18 | 63.4° | 175.0° |
| N32 | C32 | C22 | H5 | 59.3° | 59.9° |
| N32 | C32 | C22 | H6 | 60.8° | 60.0° |
| N32 | C32 | C42 | H13 | 60.2° | 60.0° |
| C32 | N32 | H32 | H33 | 120.0° | 123.9° |
| C21 | C31 | C41 | C51 | 13.4° | 17.5° |
| C21 | C31 | C41 | H8 | 120.3° | 120.0° |
| C21 | C31 | C41 | H9 | 120.4° | 120.0° |
| C31 | C21 | C11 | H1 | 176.5° | 57.3° |
| C21 | C31 | H8 | H9 | 118.9° | 120.0° |
| C21 | C31 | C41 | H12 | 166.6° | 162.5° |
| C31 | C21 | N21 | H29 | 58.7° | 61.3° |
| C31 | C21 | N21 | H30 | 61.4° | 62.6° |
| C51 | C61 | N61 | H17 | 119.9° | 120.0° |
| C51 | C61 | N61 | H18 | 119.9° | 120.0° |
| C61 | C51 | C41 | C31 | 179.9° | 179.6° |
| C61 | C51 | C41 | H12 | 0.1° | 0.4° |
| C51 | C61 | H17 | H18 | 120.2° | 120.0° |
| C51 | C61 | N61 | H37 | 180.0° | 56.1° |
| C51 | C61 | N61 | H38 | 60.0° | 180.0° |
| C41 | C51 | C61 | N61 | 123.6° | 115.0° |
| C51 | C41 | C31 | H12 | 180.0° | 179.9° |
| C51 | C41 | C31 | H8 | 107.0° | 137.5° |
| C51 | C41 | C31 | H9 | 133.7° | 102.4° |
| C41 | C51 | C61 | H17 | 3.7° | 125.0° |
| C41 | C51 | C61 | H18 | 116.4° | 4.9° |
| N61 | C61 | H17 | H18 | 120.3° | 120.0° |
| C61 | N61 | H37 | H38 | 120.0° | 123.9° |
| C41 | C31 | C21 | H4 | 78.3° | 166.5° |
| C41 | C31 | H8 | H9 | 118.9° | 120.1° |
| H1 | C11 | C21 | H4 | 57.8° | 62.3° |
| H2 | C12 | C22 | H5 | 178.3° | 179.9° |
| H2 | C12 | C22 | H6 | 61.6° | 60.0° |
| H2 | C12 | C62 | H19 | 176.3° | 180.0° |
| H2 | C12 | N12 | H26 | 59.9° | 60.0° |
| H2 | C12 | N12 | H27 | 179.9° | 176.0° |
| H3 | C13 | C23 | H7 | 61.4° | 57.7° |
| H4 | C21 | C31 | H8 | 161.3° | 73.5° |
| H4 | C21 | C31 | H9 | 42.1° | 46.5° |
| H4 | C21 | N21 | H29 | 61.6° | 59.4° |
| H4 | C21 | N21 | H30 | 178.4° | 176.7° |
| H5 | C22 | C32 | H10 | 180.0° | 180.0° |
| H6 | C22 | C32 | H10 | 59.9° | 60.1° |
| H7 | C23 | C33 | H11 | 176.1° | 177.2° |
| H7 | C23 | O23 | H40 | 59.2° | 60.2° |
| H8 | C31 | C41 | H12 | 73.0° | 42.6° |
| H9 | C31 | C41 | H12 | 46.3° | 77.5° |
| H10 | C32 | C42 | H13 | 179.9° | 180.0° |
| H10 | C32 | N32 | H32 | 60.8° | 60.0° |
| H10 | C32 | N32 | H33 | 59.2° | 63.9° |
| H11 | C33 | N33 | H35 | 147.2° | 159.1° |
| H13 | C42 | C52 | H14 | 179.9° | 179.9° |
| H14 | C52 | C62 | H19 | 177.9° | 180.0° |
| H14 | C52 | O52 | H42 | 59.7° | 55.3° |
| H17 | C61 | N61 | H37 | 60.1° | 63.9° |
| H17 | C61 | N61 | H38 | 179.9° | 60.0° |
| H18 | C61 | N61 | H37 | 60.1° | 176.1° |
| H18 | C61 | N61 | H38 | 59.9° | 60.0° |
| H20 | C83 | H21 | H22 | 120.0° | 119.9° |
| H23 | C93 | H24 | H25 | 120.0° | 120.0° |
| H23 | C93 | N33 | H35 | 59.1° | 176.0° |
| H24 | C93 | N33 | H35 | 179.1° | 64.0° |
| H25 | C93 | N33 | H35 | 60.9° | 56.1° |
