VDJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F01 | C02 | sing | 1.40Å | 1.36Å | |
| F03 | C02 | sing | 1.40Å | 1.35Å | |
| C02 | C31 | sing | 1.53Å | 1.55Å | |
| C02 | C04 | sing | 1.53Å | 1.56Å | |
| C31 | C30 | sing | 1.53Å | 1.50Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C30 | C06 | sing | 1.53Å | 1.51Å | |
| C05 | C06 | sing | 1.53Å | 1.54Å | |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| C07 | O08 | sing | 1.45Å | 1.41Å | |
| O08 | C09 | sing | 1.35Å | 1.35Å | |
| C23 | C24 | sing | 1.55Å | 1.54Å | |
| C23 | N22 | sing | 1.47Å | 1.47Å | |
| C09 | N10 | sing | 1.35Å | 1.36Å | |
| C09 | O29 | doub | 1.22Å | 1.23Å | |
| N10 | C11 | sing | 1.46Å | 1.47Å | |
| C24 | C20 | sing | 1.55Å | 1.53Å | |
| O28 | C16 | doub | 1.21Å | 1.23Å | |
| N22 | C21 | sing | 1.34Å | 1.38Å | |
| C11 | C16 | sing | 1.51Å | 1.55Å | |
| C11 | C12 | sing | 1.53Å | 1.56Å | |
| C16 | N17 | sing | 1.35Å | 1.37Å | |
| C20 | C21 | sing | 1.51Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C21 | O25 | doub | 1.21Å | 1.22Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C15 | sing | 1.53Å | 1.53Å | |
| N17 | C18 | sing | 1.47Å | 1.46Å | |
| C18 | C19 | sing | 1.53Å | 1.58Å | |
| C18 | C26 | sing | 1.53Å | 1.55Å | |
| O27 | C26 | sing | 1.43Å | 1.42Å | |
| C26 | S | sing | 1.81Å | 1.80Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C04 | H21 | sing | 1.09Å | 1.10Å | |
| C04 | H22 | sing | 1.09Å | 1.10Å | |
| C05 | H23 | sing | 1.09Å | 1.10Å | |
| C05 | H24 | sing | 1.09Å | 1.10Å | |
| C06 | H25 | sing | 1.09Å | 1.10Å | |
| C07 | H26 | sing | 1.09Å | 1.10Å | |
| C07 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C31 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| N10 | H32 | sing | 0.97Å | 1.00Å | |
| N17 | H33 | sing | 0.97Å | 1.00Å | |
| N22 | H34 | sing | 0.97Å | 1.00Å | |
| O27 | H35 | sing | 0.97Å | 0.95Å | |
| S | O1 | sing | 1.52Å | 1.81Å | |
| S | O2 | doub | 1.42Å | 23.85Å | |
| S | O3 | doub | 1.42Å | 23.85Å | |
| O1 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F01 | C02 | F03 | 101.6° | 109.5° |
| F01 | C02 | C31 | 109.7° | 109.5° |
| F01 | C02 | C04 | 110.1° | 109.5° |
| F03 | C02 | C31 | 111.4° | 109.4° |
| F03 | C02 | C04 | 111.2° | 109.5° |
| C31 | C02 | C04 | 112.4° | 109.4° |
| C02 | C31 | C30 | 112.2° | 109.5° |
| C02 | C31 | H30 | 108.8° | 109.5° |
| C02 | C31 | H31 | 108.8° | 109.5° |
| C02 | C04 | C05 | 112.5° | 109.5° |
| C02 | C04 | H21 | 108.7° | 109.5° |
| C02 | C04 | H22 | 108.7° | 109.5° |
| C31 | C30 | C06 | 113.5° | 109.5° |
| C31 | C30 | H28 | 108.5° | 109.5° |
| C31 | C30 | H29 | 108.5° | 109.5° |
| C30 | C31 | H30 | 108.8° | 109.5° |
| C30 | C31 | H31 | 108.8° | 109.4° |
| C04 | C05 | C06 | 115.1° | 109.5° |
| C05 | C04 | H21 | 108.7° | 109.5° |
| C05 | C04 | H22 | 108.7° | 109.5° |
| C04 | C05 | H23 | 108.1° | 109.5° |
| C04 | C05 | H24 | 108.1° | 109.5° |
| C30 | C06 | C05 | 109.5° | 109.5° |
| C30 | C06 | C07 | 110.9° | 109.5° |
| C30 | C06 | H25 | 109.5° | 109.4° |
| C06 | C30 | H28 | 108.4° | 109.4° |
| C06 | C30 | H29 | 108.4° | 109.4° |
| C05 | C06 | C07 | 108.9° | 109.5° |
| C06 | C05 | H23 | 108.0° | 109.5° |
| C06 | C05 | H24 | 108.1° | 109.5° |
| C05 | C06 | H25 | 109.0° | 109.5° |
| C06 | C07 | O08 | 113.2° | 109.5° |
| C07 | C06 | H25 | 109.0° | 109.5° |
| C06 | C07 | H26 | 108.5° | 109.5° |
| C06 | C07 | H27 | 108.5° | 109.4° |
| C07 | O08 | C09 | 114.8° | 117.0° |
| O08 | C07 | H26 | 108.6° | 109.5° |
| O08 | C07 | H27 | 108.5° | 109.5° |
| O08 | C09 | N10 | 115.8° | 120.0° |
| O08 | C09 | O29 | 120.8° | 120.0° |
| C24 | C23 | N22 | 104.0° | 105.5° |
| C23 | C24 | C20 | 106.2° | 101.8° |
| C24 | C23 | H15 | 110.8° | 110.2° |
| C24 | C23 | H16 | 110.8° | 110.3° |
| C23 | C24 | H17 | 110.3° | 111.0° |
| C23 | C24 | H18 | 110.3° | 110.9° |
| C23 | N22 | C21 | 112.4° | 111.3° |
| N22 | C23 | H15 | 110.8° | 110.3° |
| N22 | C23 | H16 | 110.8° | 110.3° |
| C23 | N22 | H34 | 123.8° | 124.4° |
| N10 | C09 | O29 | 123.4° | 120.0° |
| C09 | N10 | C11 | 120.8° | 120.0° |
| C09 | N10 | H32 | 119.6° | 120.0° |
| N10 | C11 | C16 | 110.2° | 109.5° |
| N10 | C11 | C12 | 110.1° | 109.5° |
| N10 | C11 | H1 | 109.3° | 109.5° |
| C11 | N10 | H32 | 119.6° | 120.0° |
| C24 | C20 | C21 | 103.3° | 104.2° |
| C24 | C20 | C19 | 115.7° | 110.5° |
| C24 | C20 | H14 | 108.8° | 110.6° |
| C20 | C24 | H17 | 110.3° | 111.0° |
| C20 | C24 | H18 | 110.3° | 110.9° |
| O28 | C16 | C11 | 119.0° | 120.0° |
| O28 | C16 | N17 | 120.7° | 120.0° |
| N22 | C21 | C20 | 109.7° | 110.1° |
| N22 | C21 | O25 | 122.3° | 124.9° |
| C21 | N22 | H34 | 123.8° | 124.3° |
| C16 | C11 | C12 | 110.8° | 109.4° |
| C11 | C16 | N17 | 120.2° | 120.0° |
| C16 | C11 | H1 | 108.2° | 109.5° |
| C11 | C12 | C13 | 114.1° | 109.5° |
| C12 | C11 | H1 | 108.2° | 109.5° |
| C11 | C12 | H2 | 108.3° | 109.4° |
| C11 | C12 | H3 | 108.3° | 109.5° |
| C16 | N17 | C18 | 123.1° | 120.0° |
| C16 | N17 | H33 | 118.4° | 119.9° |
| C21 | C20 | C19 | 111.3° | 110.5° |
| C20 | C21 | O25 | 128.0° | 124.9° |
| C21 | C20 | H14 | 108.8° | 110.6° |
| C20 | C19 | C18 | 112.3° | 109.5° |
| C20 | C19 | H12 | 108.8° | 109.5° |
| C20 | C19 | H13 | 108.8° | 109.4° |
| C19 | C20 | H14 | 108.6° | 110.4° |
| C12 | C13 | C14 | 112.8° | 109.5° |
| C12 | C13 | C15 | 111.6° | 109.5° |
| C13 | C12 | H2 | 108.3° | 109.5° |
| C13 | C12 | H3 | 108.3° | 109.5° |
| C12 | C13 | H4 | 108.2° | 109.5° |
| C14 | C13 | C15 | 107.4° | 109.4° |
| C14 | C13 | H4 | 108.3° | 109.5° |
| C13 | C14 | H5 | 109.5° | 109.4° |
| C13 | C14 | H6 | 109.5° | 109.4° |
| C13 | C14 | H7 | 109.5° | 109.5° |
| C15 | C13 | H4 | 108.4° | 109.5° |
| C13 | C15 | H8 | 109.5° | 109.5° |
| C13 | C15 | H9 | 109.5° | 109.5° |
| C13 | C15 | H10 | 109.5° | 109.5° |
| N17 | C18 | C19 | 112.8° | 109.5° |
| N17 | C18 | C26 | 109.2° | 109.4° |
| N17 | C18 | H11 | 109.0° | 109.4° |
| C18 | N17 | H33 | 118.5° | 120.0° |
| C19 | C18 | C26 | 110.5° | 109.5° |
| C19 | C18 | H11 | 107.5° | 109.5° |
| C18 | C19 | H12 | 108.8° | 109.5° |
| C18 | C19 | H13 | 108.8° | 109.5° |
| C18 | C26 | O27 | 103.8° | 109.5° |
| C18 | C26 | S | 108.9° | 109.5° |
| C26 | C18 | H11 | 107.7° | 109.5° |
| C18 | C26 | H19 | 112.2° | 109.4° |
| O27 | C26 | S | 108.1° | 109.5° |
| O27 | C26 | H19 | 114.5° | 109.5° |
| C26 | O27 | H35 | 109.5° | 114.0° |
| S | C26 | H19 | 109.0° | 109.5° |
| C26 | S | O1 | 101.5° | 104.4° |
| C26 | S | O2 | 131.0° | 110.5° |
| C26 | S | O3 | 131.0° | 110.6° |
| H2 | C12 | H3 | 109.5° | 109.5° |
| H5 | C14 | H6 | 109.5° | 109.4° |
| H5 | C14 | H7 | 109.5° | 109.5° |
| H6 | C14 | H7 | 109.5° | 109.5° |
| H8 | C15 | H9 | 109.4° | 109.5° |
| H8 | C15 | H10 | 109.5° | 109.5° |
| H9 | C15 | H10 | 109.5° | 109.5° |
| H12 | C19 | H13 | 109.4° | 109.4° |
| H15 | C23 | H16 | 109.5° | 110.3° |
| H17 | C24 | H18 | 109.5° | 110.9° |
| H21 | C04 | H22 | 109.5° | 109.4° |
| H23 | C05 | H24 | 109.4° | 109.5° |
| H26 | C07 | H27 | 109.5° | 109.5° |
| H28 | C30 | H29 | 109.4° | 109.5° |
| H30 | C31 | H31 | 109.5° | 109.4° |
| O1 | S | O2 | 55.3° | 104.3° |
| O1 | S | O3 | 55.3° | 104.2° |
| S | O1 | H20 | 109.5° | 114.0° |
| O2 | S | O3 | 0.0° | 121.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F01 | C02 | F03 | C31 | 116.7° | 120.0° |
| F01 | C02 | F03 | C04 | 117.1° | 120.1° |
| F01 | C02 | C31 | C04 | 122.8° | 120.0° |
| F01 | C02 | C31 | C30 | 119.1° | 180.0° |
| F01 | C02 | C04 | C05 | 72.7° | 180.0° |
| F01 | C02 | C04 | H21 | 166.8° | 60.0° |
| F01 | C02 | C04 | H22 | 47.7° | 60.0° |
| F01 | C02 | C31 | H30 | 1.3° | 60.0° |
| F01 | C02 | C31 | H31 | 120.5° | 60.0° |
| F03 | C02 | C31 | C04 | 125.6° | 120.0° |
| F03 | C02 | C31 | C30 | 129.3° | 60.0° |
| F03 | C02 | C04 | C05 | 175.5° | 60.0° |
| F03 | C02 | C04 | H21 | 55.0° | 60.1° |
| F03 | C02 | C04 | H22 | 64.1° | 180.0° |
| F03 | C02 | C31 | H30 | 110.3° | 180.0° |
| F03 | C02 | C31 | H31 | 8.9° | 60.0° |
| C02 | C31 | C30 | H30 | 120.4° | 120.1° |
| C02 | C31 | C30 | H31 | 120.4° | 120.0° |
| C31 | C02 | C04 | C05 | 49.8° | 60.0° |
| C02 | C31 | C30 | C06 | 52.3° | 60.0° |
| C31 | C02 | C04 | H21 | 70.6° | 180.0° |
| C31 | C02 | C04 | H22 | 170.3° | 60.0° |
| C02 | C31 | C30 | H28 | 172.9° | 59.9° |
| C02 | C31 | C30 | H29 | 68.4° | 180.0° |
| C02 | C31 | H30 | H31 | 118.7° | 120.0° |
| C04 | C02 | C31 | C30 | 3.7° | 60.0° |
| C02 | C04 | C05 | H21 | 120.4° | 120.0° |
| C02 | C04 | C05 | H22 | 120.4° | 120.0° |
| C02 | C04 | C05 | C06 | 42.2° | 60.0° |
| C02 | C04 | H21 | H22 | 118.6° | 120.0° |
| C02 | C04 | C05 | H23 | 163.0° | 60.0° |
| C02 | C04 | C05 | H24 | 78.7° | 180.0° |
| C04 | C02 | C31 | H30 | 124.1° | 60.1° |
| C04 | C02 | C31 | H31 | 116.7° | 180.0° |
| C31 | C30 | C06 | H28 | 120.6° | 120.0° |
| C31 | C30 | C06 | H29 | 120.6° | 120.1° |
| C31 | C30 | C06 | C05 | 60.0° | 60.0° |
| C31 | C30 | C06 | C07 | 179.9° | 180.0° |
| C31 | C30 | C06 | H25 | 59.5° | 60.0° |
| C31 | C30 | H28 | H29 | 118.2° | 120.1° |
| C30 | C31 | H30 | H31 | 118.8° | 120.0° |
| C04 | C05 | C06 | C30 | 10.7° | 60.0° |
| C04 | C05 | C06 | H23 | 120.8° | 120.0° |
| C04 | C05 | C06 | H24 | 120.8° | 120.0° |
| C04 | C05 | C06 | C07 | 132.1° | 180.0° |
| C05 | C04 | H21 | H22 | 118.6° | 120.0° |
| C04 | C05 | H23 | H24 | 117.4° | 120.0° |
| C04 | C05 | C06 | H25 | 109.0° | 60.0° |
| C30 | C06 | C05 | C07 | 121.4° | 120.0° |
| C30 | C06 | C05 | H25 | 119.8° | 119.9° |
| C30 | C06 | C07 | H25 | 120.6° | 119.9° |
| C30 | C06 | C07 | O08 | 158.5° | 65.0° |
| C30 | C06 | C05 | H23 | 110.1° | 60.0° |
| C30 | C06 | C05 | H24 | 131.6° | 179.9° |
| C30 | C06 | C07 | H26 | 80.9° | 55.0° |
| C30 | C06 | C07 | H27 | 37.9° | 175.0° |
| C06 | C30 | H28 | H29 | 118.1° | 119.9° |
| C06 | C30 | C31 | H30 | 68.1° | 60.1° |
| C06 | C30 | C31 | H31 | 172.7° | 180.0° |
| C05 | C06 | C07 | H25 | 118.8° | 120.1° |
| C05 | C06 | C07 | O08 | 38.0° | 175.0° |
| C06 | C05 | C04 | H21 | 78.3° | 180.0° |
| C06 | C05 | C04 | H22 | 162.6° | 60.0° |
| C06 | C05 | H23 | H24 | 117.4° | 120.0° |
| C05 | C06 | C07 | H26 | 158.5° | 65.0° |
| C05 | C06 | C07 | H27 | 82.6° | 55.0° |
| C05 | C06 | C30 | H28 | 179.4° | 60.0° |
| C05 | C06 | C30 | H29 | 60.7° | 180.0° |
| C06 | C07 | O08 | H26 | 120.5° | 120.0° |
| C06 | C07 | O08 | H27 | 120.6° | 120.0° |
| C06 | C07 | O08 | C09 | 172.3° | 180.0° |
| C07 | C06 | C05 | H23 | 11.3° | 60.0° |
| C07 | C06 | C05 | H24 | 107.0° | 60.0° |
| C06 | C07 | H26 | H27 | 118.3° | 120.0° |
| C07 | C06 | C30 | H28 | 59.3° | 60.0° |
| C07 | C06 | C30 | H29 | 59.5° | 59.9° |
| C07 | O08 | C09 | N10 | 167.0° | 180.0° |
| C07 | O08 | C09 | O29 | 12.6° | 0.0° |
| O08 | C07 | C06 | H25 | 80.9° | 55.0° |
| O08 | C07 | H26 | H27 | 118.3° | 120.0° |
| O08 | C09 | N10 | O29 | 179.6° | 180.0° |
| O08 | C09 | N10 | C11 | 171.9° | 175.0° |
| C09 | O08 | C07 | H26 | 67.1° | 60.0° |
| C09 | O08 | C07 | H27 | 51.8° | 60.0° |
| O08 | C09 | N10 | H32 | 8.2° | 5.0° |
| C24 | C23 | N22 | H15 | 119.2° | 118.9° |
| C24 | C23 | N22 | H16 | 119.1° | 119.0° |
| C23 | C24 | C20 | H17 | 119.5° | 118.2° |
| C23 | C24 | C20 | H18 | 119.5° | 118.1° |
| C24 | C23 | N22 | C21 | 13.0° | 17.0° |
| C23 | C24 | C20 | C21 | 20.0° | 24.7° |
| C23 | C24 | C20 | C19 | 141.9° | 93.9° |
| C23 | C24 | C20 | H14 | 95.5° | 143.5° |
| C24 | C23 | H15 | H16 | 122.6° | 121.9° |
| C23 | C24 | H17 | H18 | 121.5° | 123.8° |
| C24 | C23 | N22 | H34 | 167.0° | 163.1° |
| N22 | C23 | C24 | C20 | 20.4° | 25.4° |
| C23 | N22 | C21 | H34 | 180.0° | 179.9° |
| C23 | N22 | C21 | C20 | 0.3° | 0.5° |
| C23 | N22 | C21 | O25 | 179.9° | 179.7° |
| N22 | C23 | H15 | H16 | 122.5° | 122.0° |
| N22 | C23 | C24 | H17 | 139.9° | 143.6° |
| N22 | C23 | C24 | H18 | 99.1° | 92.7° |
| C09 | N10 | C11 | H32 | 180.0° | 180.0° |
| C09 | N10 | C11 | C16 | 58.8° | 151.1° |
| C09 | N10 | C11 | C12 | 178.7° | 88.9° |
| C09 | N10 | C11 | H1 | 60.0° | 31.1° |
| O29 | C09 | N10 | C11 | 7.7° | 5.0° |
| O29 | C09 | N10 | H32 | 172.3° | 175.0° |
| N10 | C11 | C16 | O28 | 41.4° | 11.8° |
| N10 | C11 | C16 | C12 | 122.0° | 120.0° |
| N10 | C11 | C16 | H1 | 119.5° | 120.0° |
| N10 | C11 | C12 | H1 | 119.4° | 120.1° |
| N10 | C11 | C16 | N17 | 137.7° | 168.1° |
| N10 | C11 | C12 | C13 | 68.9° | 170.2° |
| N10 | C11 | C12 | H2 | 51.8° | 50.3° |
| N10 | C11 | C12 | H3 | 170.4° | 69.7° |
| C24 | C20 | C21 | N22 | 12.6° | 16.2° |
| C24 | C20 | C21 | C19 | 124.8° | 118.6° |
| C24 | C20 | C21 | H14 | 115.5° | 118.8° |
| C24 | C20 | C19 | H14 | 122.7° | 122.7° |
| C24 | C20 | C21 | O25 | 166.9° | 163.7° |
| C24 | C20 | C19 | C18 | 67.5° | 178.7° |
| C24 | C20 | C19 | H12 | 52.9° | 61.2° |
| C24 | C20 | C19 | H13 | 172.0° | 58.7° |
| C20 | C24 | C23 | H15 | 139.5° | 93.6° |
| C20 | C24 | C23 | H16 | 98.7° | 144.4° |
| C20 | C24 | H17 | H18 | 121.5° | 123.8° |
| O28 | C16 | C11 | N17 | 179.0° | 179.9° |
| O28 | C16 | C11 | C12 | 80.7° | 108.2° |
| O28 | C16 | N17 | C18 | 1.0° | 5.7° |
| O28 | C16 | C11 | H1 | 160.8° | 131.8° |
| O28 | C16 | N17 | H33 | 179.0° | 174.2° |
| N22 | C21 | C20 | O25 | 179.6° | 179.9° |
| N22 | C21 | C20 | C19 | 137.4° | 102.4° |
| N22 | C21 | C20 | H14 | 102.9° | 135.0° |
| C21 | N22 | C23 | H15 | 132.2° | 101.9° |
| C21 | N22 | C23 | H16 | 106.1° | 136.0° |
| C16 | C11 | C12 | H1 | 118.5° | 120.0° |
| C16 | C11 | C12 | C13 | 169.0° | 69.8° |
| C11 | C16 | N17 | C18 | 180.0° | 174.2° |
| C16 | C11 | C12 | H2 | 70.3° | 170.3° |
| C16 | C11 | C12 | H3 | 48.3° | 50.2° |
| C16 | C11 | N10 | H32 | 121.2° | 28.9° |
| C11 | C16 | N17 | H33 | 0.0° | 5.9° |
| C12 | C11 | C16 | N17 | 100.3° | 71.9° |
| C11 | C12 | C13 | H2 | 120.7° | 120.0° |
| C11 | C12 | C13 | H3 | 120.7° | 120.0° |
| C11 | C12 | C13 | C14 | 168.7° | 66.2° |
| C11 | C12 | C13 | C15 | 70.2° | 173.8° |
| C11 | C12 | H2 | H3 | 117.9° | 120.0° |
| C11 | C12 | C13 | H4 | 48.9° | 53.8° |
| C12 | C11 | N10 | H32 | 1.3° | 91.0° |
| C16 | N17 | C18 | H33 | 180.0° | 179.9° |
| C16 | N17 | C18 | C19 | 112.9° | 155.0° |
| C16 | N17 | C18 | C26 | 123.8° | 84.9° |
| N17 | C16 | C11 | H1 | 18.2° | 48.1° |
| C16 | N17 | C18 | H11 | 6.4° | 35.0° |
| C21 | C20 | C19 | H14 | 119.8° | 122.6° |
| C21 | C20 | C19 | C18 | 175.0° | 66.5° |
| C21 | C20 | C19 | H12 | 64.6° | 53.6° |
| C21 | C20 | C19 | H13 | 54.6° | 173.5° |
| C21 | C20 | C24 | H17 | 139.5° | 142.9° |
| C21 | C20 | C24 | H18 | 99.5° | 93.3° |
| C20 | C21 | N22 | H34 | 179.7° | 179.6° |
| C19 | C20 | C21 | O25 | 42.1° | 77.7° |
| C20 | C19 | C18 | N17 | 71.4° | 65.0° |
| C20 | C19 | C18 | H12 | 120.4° | 120.0° |
| C20 | C19 | C18 | H13 | 120.4° | 120.0° |
| C20 | C19 | C18 | C26 | 166.1° | 175.0° |
| C20 | C19 | C18 | H11 | 48.7° | 55.0° |
| C20 | C19 | H12 | H13 | 118.7° | 119.9° |
| C19 | C20 | C24 | H17 | 98.6° | 24.3° |
| C19 | C20 | C24 | H18 | 22.4° | 148.0° |
| C12 | C13 | C14 | C15 | 123.4° | 120.0° |
| C12 | C13 | C14 | H4 | 119.7° | 120.0° |
| C12 | C13 | C15 | H4 | 119.0° | 120.0° |
| C13 | C12 | C11 | H1 | 50.5° | 50.2° |
| C13 | C12 | H2 | H3 | 117.9° | 120.0° |
| C12 | C13 | C14 | H5 | 180.0° | 175.9° |
| C12 | C13 | C14 | H6 | 60.0° | 55.9° |
| C12 | C13 | C14 | H7 | 60.0° | 64.1° |
| C12 | C13 | C15 | H8 | 180.0° | 60.0° |
| C12 | C13 | C15 | H9 | 60.0° | 180.0° |
| C12 | C13 | C15 | H10 | 60.0° | 60.0° |
| O25 | C21 | C20 | H14 | 77.6° | 44.9° |
| O25 | C21 | N22 | H34 | 0.1° | 0.3° |
| C14 | C13 | C15 | H4 | 116.8° | 120.0° |
| C14 | C13 | C12 | H2 | 48.0° | 53.7° |
| C14 | C13 | C12 | H3 | 70.6° | 173.8° |
| C13 | C14 | H5 | H6 | 120.0° | 119.9° |
| C13 | C14 | H5 | H7 | 120.0° | 120.1° |
| C13 | C14 | H6 | H7 | 120.0° | 120.1° |
| C14 | C13 | C15 | H8 | 55.8° | 180.0° |
| C14 | C13 | C15 | H9 | 64.1° | 60.0° |
| C14 | C13 | C15 | H10 | 175.9° | 60.0° |
| C15 | C13 | C12 | H2 | 169.1° | 66.2° |
| C15 | C13 | C12 | H3 | 50.5° | 53.8° |
| C15 | C13 | C14 | H5 | 56.6° | 64.2° |
| C15 | C13 | C14 | H6 | 176.6° | 175.9° |
| C15 | C13 | C14 | H7 | 63.5° | 55.9° |
| C13 | C15 | H8 | H9 | 120.0° | 120.0° |
| C13 | C15 | H8 | H10 | 120.0° | 120.0° |
| C13 | C15 | H9 | H10 | 120.0° | 120.0° |
| N17 | C18 | C19 | C26 | 122.5° | 120.0° |
| N17 | C18 | C19 | H11 | 120.2° | 120.0° |
| N17 | C18 | C26 | H11 | 118.2° | 119.9° |
| N17 | C18 | C26 | O27 | 59.3° | 65.0° |
| N17 | C18 | C26 | S | 55.6° | 55.0° |
| N17 | C18 | C19 | H12 | 168.1° | 55.0° |
| N17 | C18 | C19 | H13 | 49.0° | 175.0° |
| N17 | C18 | C26 | H19 | 176.5° | 175.0° |
| C19 | C18 | C26 | H11 | 117.2° | 120.1° |
| C19 | C18 | C26 | O27 | 176.1° | 175.0° |
| C19 | C18 | C26 | S | 69.0° | 64.9° |
| C18 | C19 | H12 | H13 | 118.7° | 120.0° |
| C18 | C19 | C20 | H14 | 55.2° | 56.1° |
| C19 | C18 | C26 | H19 | 51.9° | 55.0° |
| C19 | C18 | N17 | H33 | 67.1° | 25.0° |
| C18 | C26 | O27 | S | 115.6° | 120.0° |
| C18 | C26 | O27 | H19 | 122.7° | 120.0° |
| C18 | C26 | S | H19 | 122.8° | 120.0° |
| C26 | C18 | C19 | H12 | 45.6° | 64.9° |
| C26 | C18 | C19 | H13 | 73.5° | 55.0° |
| C26 | C18 | N17 | H33 | 56.1° | 95.0° |
| C18 | C26 | O27 | H35 | 180.0° | 59.9° |
| C18 | C26 | S | O1 | 174.4° | 180.0° |
| C18 | C26 | S | O2 | 120.7° | 68.4° |
| C18 | C26 | S | O3 | 120.7° | 68.5° |
| O27 | C26 | S | H19 | 125.1° | 120.0° |
| O27 | C26 | C18 | H11 | 58.9° | 54.9° |
| O27 | C26 | S | O1 | 73.5° | 60.0° |
| O27 | C26 | S | O2 | 127.1° | 171.6° |
| O27 | C26 | S | O3 | 127.1° | 51.6° |
| S | C26 | C18 | H11 | 173.8° | 174.9° |
| S | C26 | O27 | H35 | 64.4° | 60.1° |
| C26 | S | O1 | O2 | 132.3° | 116.1° |
| C26 | S | O1 | O3 | 132.3° | 116.1° |
| C26 | S | O2 | O3 | 90.0° | 131.6° |
| C26 | S | O1 | H20 | 180.0° | 180.0° |
| H1 | C11 | C12 | H2 | 171.1° | 69.8° |
| H1 | C11 | C12 | H3 | 70.3° | 170.2° |
| H1 | C11 | N10 | H32 | 120.0° | 148.9° |
| H2 | C12 | C13 | H4 | 71.8° | 173.8° |
| H3 | C12 | C13 | H4 | 169.6° | 66.2° |
| H4 | C13 | C14 | H5 | 60.3° | 55.8° |
| H4 | C13 | C14 | H6 | 59.7° | 64.1° |
| H4 | C13 | C14 | H7 | 179.7° | 175.9° |
| H4 | C13 | C15 | H8 | 61.0° | 60.0° |
| H4 | C13 | C15 | H9 | 179.1° | 60.0° |
| H4 | C13 | C15 | H10 | 59.1° | 180.0° |
| H5 | C14 | H6 | H7 | 120.0° | 120.0° |
| H8 | C15 | H9 | H10 | 120.0° | 120.0° |
| H11 | C18 | C19 | H12 | 71.7° | 175.0° |
| H11 | C18 | C19 | H13 | 169.2° | 65.0° |
| H11 | C18 | C26 | H19 | 65.3° | 65.1° |
| H11 | C18 | N17 | H33 | 173.6° | 145.1° |
| H12 | C19 | C20 | H14 | 175.6° | 176.2° |
| H13 | C19 | C20 | H14 | 65.2° | 63.9° |
| H14 | C20 | C24 | H17 | 24.0° | 98.3° |
| H14 | C20 | C24 | H18 | 145.0° | 25.5° |
| H15 | C23 | C24 | H17 | 101.0° | 24.6° |
| H15 | C23 | C24 | H18 | 20.0° | 148.3° |
| H15 | C23 | N22 | H34 | 47.8° | 78.0° |
| H16 | C23 | C24 | H17 | 20.8° | 97.4° |
| H16 | C23 | C24 | H18 | 141.8° | 26.3° |
| H16 | C23 | N22 | H34 | 73.9° | 44.0° |
| H19 | C26 | O27 | H35 | 57.3° | 179.9° |
| H19 | C26 | S | O1 | 51.6° | 60.0° |
| H19 | C26 | S | O2 | 2.1° | 51.6° |
| H19 | C26 | S | O3 | 2.1° | 171.6° |
| H21 | C04 | C05 | H23 | 42.5° | 60.1° |
| H21 | C04 | C05 | H24 | 160.9° | 60.0° |
| H22 | C04 | C05 | H23 | 76.6° | NaN° |
| H22 | C04 | C05 | H24 | 41.8° | 60.0° |
| H23 | C05 | C06 | H25 | 130.1° | 180.0° |
| H24 | C05 | C06 | H25 | 11.8° | 60.0° |
| H25 | C06 | C07 | H26 | 39.7° | 175.0° |
| H25 | C06 | C07 | H27 | 158.6° | 65.0° |
| H25 | C06 | C30 | H28 | 61.1° | 180.0° |
| H25 | C06 | C30 | H29 | 179.9° | 60.0° |
| H28 | C30 | C31 | H30 | 52.5° | 180.0° |
| H28 | C30 | C31 | H31 | 66.7° | 60.1° |
| H29 | C30 | C31 | H30 | 171.2° | 60.0° |
| H29 | C30 | C31 | H31 | 52.0° | 60.0° |
| O1 | S | O2 | O3 | 90.0° | 116.7° |
| O2 | S | O1 | H20 | 47.7° | 63.9° |
| O3 | S | O1 | H20 | 47.7° | 63.9° |
