WIU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.53Å | |
| C27 | C20 | sing | 1.53Å | 1.53Å | |
| C27 | O28 | sing | 1.45Å | 1.45Å | |
| C07 | C04 | sing | 1.53Å | 1.55Å | |
| C20 | N19 | sing | 1.46Å | 1.46Å | |
| O34 | C29 | doub | 1.21Å | 1.21Å | |
| C06 | C04 | sing | 1.53Å | 1.55Å | |
| N19 | C18 | sing | 1.38Å | 1.36Å | |
| O28 | C29 | sing | 1.35Å | 1.35Å | |
| C04 | C03 | sing | 1.51Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.54Å | |
| C29 | N30 | sing | 1.35Å | 1.34Å | |
| C18 | N35 | doub | 1.33Å | 1.34Å | Aromatic |
| C18 | N17 | sing | 1.32Å | 1.33Å | Aromatic |
| C03 | C08 | doub | 1.35Å | 1.38Å | Aromatic |
| C03 | N02 | sing | 1.35Å | 1.37Å | Aromatic |
| C08 | C09 | sing | 1.40Å | 1.42Å | Aromatic |
| N35 | C11 | sing | 1.33Å | 1.34Å | Aromatic |
| C32 | C31 | sing | 1.53Å | 1.52Å | |
| C32 | N33 | sing | 1.47Å | 1.48Å | |
| N30 | C31 | sing | 1.47Å | 1.46Å | |
| N17 | C13 | doub | 1.33Å | 1.33Å | Aromatic |
| N02 | C01 | sing | 1.47Å | 1.46Å | |
| N02 | N36 | sing | 1.40Å | 1.39Å | Aromatic |
| C09 | N36 | doub | 1.31Å | 1.30Å | Aromatic |
| C09 | N10 | sing | 1.40Å | 1.39Å | |
| C11 | N10 | sing | 1.38Å | 1.36Å | |
| C11 | C12 | doub | 1.41Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.41Å | 1.40Å | Aromatic |
| C13 | N14 | sing | 1.36Å | 1.34Å | Aromatic |
| C12 | C16 | sing | 1.41Å | 1.44Å | Aromatic |
| N14 | N15 | sing | 1.40Å | 1.42Å | Aromatic |
| C16 | N15 | doub | 1.30Å | 1.30Å | Aromatic |
| C20 | H1 | sing | 1.09Å | 1.10Å | |
| C26 | H2 | sing | 1.08Å | 1.08Å | |
| C25 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C23 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C06 | H14 | sing | 1.09Å | 1.10Å | |
| C06 | H15 | sing | 1.09Å | 1.10Å | |
| C06 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.09Å | 1.10Å | |
| C07 | H18 | sing | 1.09Å | 1.10Å | |
| C07 | H19 | sing | 1.09Å | 1.10Å | |
| C08 | H20 | sing | 1.08Å | 1.08Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C31 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C32 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å | |
| N10 | H27 | sing | 0.97Å | 1.00Å | |
| N14 | H28 | sing | 0.97Å | 1.00Å | |
| N19 | H29 | sing | 0.97Å | 1.00Å | |
| N30 | H30 | sing | 0.97Å | 1.00Å | |
| N33 | H31 | sing | 1.01Å | 1.00Å | |
| N33 | H32 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C24 | C25 | 120.0° | 120.0° |
| C24 | C23 | C22 | 120.6° | 120.0° |
| C23 | C24 | H4 | 120.0° | 120.0° |
| C24 | C23 | H5 | 119.7° | 120.0° |
| C24 | C25 | C26 | 119.1° | 120.0° |
| C24 | C25 | H3 | 120.4° | 120.0° |
| C25 | C24 | H4 | 120.0° | 120.1° |
| C23 | C22 | C21 | 120.1° | 120.0° |
| C22 | C23 | H5 | 119.7° | 120.0° |
| C23 | C22 | H6 | 120.0° | 120.0° |
| C25 | C26 | C21 | 121.5° | 120.0° |
| C25 | C26 | H2 | 119.2° | 120.0° |
| C26 | C25 | H3 | 120.5° | 120.0° |
| C22 | C21 | C26 | 118.8° | 120.0° |
| C22 | C21 | C20 | 121.7° | 120.0° |
| C21 | C22 | H6 | 119.9° | 120.0° |
| C26 | C21 | C20 | 119.5° | 120.0° |
| C21 | C26 | H2 | 119.3° | 120.1° |
| C21 | C20 | C27 | 111.7° | 109.5° |
| C21 | C20 | N19 | 110.5° | 109.4° |
| C21 | C20 | H1 | 108.6° | 109.5° |
| C20 | C27 | O28 | 110.4° | 109.5° |
| C27 | C20 | N19 | 107.9° | 109.5° |
| C27 | C20 | H1 | 108.6° | 109.5° |
| C20 | C27 | H21 | 109.2° | 109.5° |
| C20 | C27 | H22 | 109.2° | 109.4° |
| C27 | O28 | C29 | 116.9° | 117.0° |
| O28 | C27 | H21 | 109.2° | 109.5° |
| O28 | C27 | H22 | 109.2° | 109.4° |
| C07 | C04 | C06 | 109.5° | 109.5° |
| C07 | C04 | C03 | 111.9° | 109.5° |
| C07 | C04 | C05 | 107.3° | 109.5° |
| C04 | C07 | H17 | 109.5° | 109.5° |
| C04 | C07 | H18 | 109.5° | 109.5° |
| C04 | C07 | H19 | 109.5° | 109.5° |
| C20 | N19 | C18 | 126.5° | 120.0° |
| N19 | C20 | H1 | 109.5° | 109.5° |
| C20 | N19 | H29 | 105.1° | 120.0° |
| O34 | C29 | O28 | 122.4° | 120.0° |
| O34 | C29 | N30 | 127.1° | 120.0° |
| C06 | C04 | C03 | 110.3° | 109.5° |
| C06 | C04 | C05 | 107.9° | 109.5° |
| C04 | C06 | H14 | 109.5° | 109.5° |
| C04 | C06 | H15 | 109.5° | 109.5° |
| C04 | C06 | H16 | 109.5° | 109.5° |
| N19 | C18 | N35 | 118.0° | 118.8° |
| N19 | C18 | N17 | 117.4° | 118.7° |
| C18 | N19 | H29 | 105.1° | 120.0° |
| O28 | C29 | N30 | 110.5° | 120.0° |
| C03 | C04 | C05 | 109.7° | 109.5° |
| C04 | C03 | C08 | 127.7° | 126.1° |
| C04 | C03 | N02 | 125.7° | 126.1° |
| C04 | C05 | H11 | 109.5° | 109.4° |
| C04 | C05 | H12 | 109.5° | 109.5° |
| C04 | C05 | H13 | 109.5° | 109.5° |
| C29 | N30 | C31 | 120.9° | 120.0° |
| C29 | N30 | H30 | 119.6° | 120.0° |
| N35 | C18 | N17 | 124.6° | 122.5° |
| C18 | N35 | C11 | 120.6° | 121.1° |
| C18 | N17 | C13 | 114.4° | 120.6° |
| C08 | C03 | N02 | 106.6° | 107.9° |
| C03 | C08 | C09 | 105.7° | 107.9° |
| C03 | C08 | H20 | 127.2° | 126.1° |
| C03 | N02 | C01 | 135.3° | 126.0° |
| C03 | N02 | N36 | 110.1° | 108.1° |
| C08 | C09 | N36 | 110.7° | 108.0° |
| C08 | C09 | N10 | 126.6° | 126.0° |
| C09 | C08 | H20 | 127.1° | 126.0° |
| N35 | C11 | N10 | 113.7° | 120.7° |
| N35 | C11 | C12 | 119.3° | 118.5° |
| C31 | C32 | N33 | 105.4° | 109.5° |
| C32 | C31 | N30 | 115.1° | 109.5° |
| C32 | C31 | H23 | 108.0° | 109.4° |
| C32 | C31 | H24 | 108.0° | 109.5° |
| C31 | C32 | H25 | 110.5° | 109.5° |
| C31 | C32 | H26 | 110.5° | 109.5° |
| N33 | C32 | H25 | 110.5° | 109.4° |
| N33 | C32 | H26 | 110.5° | 109.5° |
| C32 | N33 | H31 | 109.5° | 111.0° |
| C32 | N33 | H32 | 109.5° | 111.0° |
| N30 | C31 | H23 | 108.1° | 109.5° |
| N30 | C31 | H24 | 108.1° | 109.5° |
| C31 | N30 | H30 | 119.6° | 120.0° |
| N17 | C13 | C12 | 126.1° | 118.9° |
| N17 | C13 | N14 | 126.8° | 134.5° |
| C01 | N02 | N36 | 114.6° | 126.0° |
| N02 | C01 | H8 | 109.5° | 109.5° |
| N02 | C01 | H9 | 109.5° | 109.5° |
| N02 | C01 | H10 | 109.5° | 109.5° |
| N02 | N36 | C09 | 106.9° | 108.1° |
| N36 | C09 | N10 | 122.7° | 125.9° |
| C09 | N10 | C11 | 137.1° | 120.0° |
| C09 | N10 | H27 | 111.4° | 120.1° |
| N10 | C11 | C12 | 127.0° | 120.8° |
| C11 | N10 | H27 | 111.4° | 120.0° |
| C11 | C12 | C13 | 115.1° | 118.4° |
| C11 | C12 | C16 | 140.0° | 134.6° |
| C12 | C13 | N14 | 107.1° | 106.6° |
| C13 | C12 | C16 | 104.9° | 107.0° |
| C13 | N14 | N15 | 111.3° | 108.2° |
| C13 | N14 | H28 | 124.4° | 125.8° |
| C12 | C16 | N15 | 111.3° | 108.5° |
| C12 | C16 | H7 | 124.4° | 125.7° |
| N14 | N15 | C16 | 105.5° | 109.7° |
| N15 | N14 | H28 | 124.4° | 125.9° |
| N15 | C16 | H7 | 124.3° | 125.8° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H10 | 109.4° | 109.5° |
| H9 | C01 | H10 | 109.5° | 109.4° |
| H11 | C05 | H12 | 109.4° | 109.4° |
| H11 | C05 | H13 | 109.5° | 109.5° |
| H12 | C05 | H13 | 109.5° | 109.4° |
| H14 | C06 | H15 | 109.5° | 109.4° |
| H14 | C06 | H16 | 109.5° | 109.4° |
| H15 | C06 | H16 | 109.4° | 109.4° |
| H17 | C07 | H18 | 109.5° | 109.4° |
| H17 | C07 | H19 | 109.5° | 109.5° |
| H18 | C07 | H19 | 109.5° | 109.5° |
| H21 | C27 | H22 | 109.5° | 109.5° |
| H23 | C31 | H24 | 109.5° | 109.5° |
| H25 | C32 | H26 | 109.5° | 109.5° |
| H31 | N33 | H32 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C24 | C25 | H4 | 180.0° | 179.7° |
| C24 | C23 | C22 | H5 | 180.0° | 179.7° |
| C23 | C24 | C25 | C26 | 0.1° | 0.0° |
| C24 | C23 | C22 | C21 | 0.2° | 0.6° |
| C23 | C24 | C25 | H3 | 179.9° | 179.9° |
| C24 | C23 | C22 | H6 | 179.8° | 180.0° |
| C25 | C24 | C23 | C22 | 0.2° | 0.3° |
| C24 | C25 | C26 | H3 | 180.0° | 179.9° |
| C24 | C25 | C26 | C21 | 0.4° | 0.0° |
| C24 | C25 | C26 | H2 | 179.6° | 180.0° |
| C25 | C24 | C23 | H5 | 179.7° | 180.0° |
| C23 | C22 | C21 | H6 | 180.0° | 179.4° |
| C23 | C22 | C21 | C26 | 0.6° | 0.6° |
| C23 | C22 | C21 | C20 | 179.9° | 179.7° |
| C22 | C23 | C24 | H4 | 179.8° | 180.0° |
| C25 | C26 | C21 | C22 | 0.8° | 0.3° |
| C25 | C26 | C21 | H2 | 180.0° | 180.0° |
| C25 | C26 | C21 | C20 | 180.0° | 180.0° |
| C26 | C25 | C24 | H4 | 179.9° | 179.7° |
| C22 | C21 | C26 | C20 | 179.3° | 179.7° |
| C22 | C21 | C20 | C27 | 69.1° | 79.7° |
| C22 | C21 | C20 | N19 | 170.8° | 40.3° |
| C22 | C21 | C20 | H1 | 50.7° | 160.3° |
| C22 | C21 | C26 | H2 | 179.2° | 179.7° |
| C21 | C22 | C23 | H5 | 179.9° | 179.7° |
| C26 | C21 | C20 | C27 | 110.2° | 100.0° |
| C26 | C21 | C20 | N19 | 9.9° | 140.0° |
| C26 | C21 | C20 | H1 | 130.1° | 20.0° |
| C21 | C26 | C25 | H3 | 179.6° | 179.9° |
| C26 | C21 | C22 | H6 | 179.3° | 180.0° |
| C21 | C20 | C27 | N19 | 121.7° | 120.0° |
| C21 | C20 | C27 | H1 | 119.8° | 120.0° |
| C21 | C20 | C27 | O28 | 169.6° | 55.0° |
| C21 | C20 | N19 | H1 | 119.6° | 120.0° |
| C21 | C20 | N19 | C18 | 75.4° | 85.0° |
| C20 | C21 | C26 | H2 | 0.1° | 0.0° |
| C20 | C21 | C22 | H6 | 0.1° | 0.3° |
| C21 | C20 | C27 | H21 | 49.5° | 65.0° |
| C21 | C20 | C27 | H22 | 70.2° | 175.0° |
| C21 | C20 | N19 | H29 | 46.8° | 95.0° |
| C20 | C27 | O28 | H21 | 120.1° | 120.0° |
| C20 | C27 | O28 | H22 | 120.1° | 119.9° |
| C27 | C20 | N19 | H1 | 118.0° | 120.0° |
| C27 | C20 | N19 | C18 | 162.2° | 155.0° |
| C20 | C27 | O28 | C29 | 116.8° | 180.0° |
| C20 | C27 | H21 | H22 | 119.5° | 120.0° |
| C27 | C20 | N19 | H29 | 75.6° | 25.1° |
| O28 | C27 | C20 | N19 | 48.0° | 65.0° |
| C27 | O28 | C29 | O34 | 24.0° | 0.0° |
| C27 | O28 | C29 | N30 | 156.2° | 179.9° |
| O28 | C27 | C20 | H1 | 70.6° | 175.0° |
| O28 | C27 | H21 | H22 | 119.6° | 120.0° |
| C07 | C04 | C06 | C03 | 123.6° | 120.0° |
| C07 | C04 | C06 | C05 | 116.6° | 120.0° |
| C07 | C04 | C03 | C05 | 119.1° | 120.0° |
| C07 | C04 | C03 | C08 | 122.3° | 111.0° |
| C07 | C04 | C03 | N02 | 57.2° | 68.7° |
| C07 | C04 | C05 | H11 | 180.0° | 180.0° |
| C07 | C04 | C05 | H12 | 60.0° | 60.0° |
| C07 | C04 | C05 | H13 | 60.0° | 59.9° |
| C07 | C04 | C06 | H14 | 180.0° | 60.0° |
| C07 | C04 | C06 | H15 | 60.0° | 60.0° |
| C07 | C04 | C06 | H16 | 60.0° | 180.0° |
| C04 | C07 | H17 | H18 | 120.0° | 120.0° |
| C04 | C07 | H17 | H19 | 120.0° | 120.0° |
| C04 | C07 | H18 | H19 | 120.0° | 120.0° |
| C20 | N19 | C18 | H29 | 122.3° | 179.9° |
| C20 | N19 | C18 | N35 | 16.8° | 180.0° |
| C20 | N19 | C18 | N17 | 163.0° | 0.3° |
| N19 | C20 | C27 | H21 | 72.1° | 175.0° |
| N19 | C20 | C27 | H22 | 168.1° | 55.0° |
| O34 | C29 | O28 | N30 | 179.8° | 179.9° |
| O34 | C29 | N30 | C31 | 23.7° | 0.1° |
| O34 | C29 | N30 | H30 | 156.2° | 180.0° |
| C06 | C04 | C03 | C05 | 118.7° | 120.0° |
| C06 | C04 | C03 | C08 | 0.1° | 129.0° |
| C06 | C04 | C03 | N02 | 179.4° | 51.3° |
| C06 | C04 | C05 | H11 | 62.0° | 60.0° |
| C06 | C04 | C05 | H12 | 58.0° | 60.0° |
| C06 | C04 | C05 | H13 | 178.0° | 179.9° |
| C04 | C06 | H14 | H15 | 120.0° | 120.0° |
| C04 | C06 | H14 | H16 | 120.0° | 120.1° |
| C04 | C06 | H15 | H16 | 120.0° | 120.0° |
| C06 | C04 | C07 | H17 | 180.0° | 175.0° |
| C06 | C04 | C07 | H18 | 60.0° | 55.0° |
| C06 | C04 | C07 | H19 | 60.0° | 65.0° |
| N19 | C18 | N35 | N17 | 179.8° | 179.7° |
| N19 | C18 | N35 | C11 | 179.7° | 179.7° |
| N19 | C18 | N17 | C13 | 179.7° | 179.7° |
| C18 | N19 | C20 | H1 | 44.2° | 35.0° |
| O28 | C29 | N30 | C31 | 156.0° | 180.0° |
| C29 | O28 | C27 | H21 | 3.3° | 60.0° |
| C29 | O28 | C27 | H22 | 123.0° | 60.0° |
| O28 | C29 | N30 | H30 | 24.0° | 0.1° |
| C04 | C03 | C08 | N02 | 179.6° | 179.7° |
| C04 | C03 | C08 | C09 | 179.9° | 179.8° |
| C04 | C03 | N02 | C01 | 0.3° | 0.3° |
| C04 | C03 | N02 | N36 | 179.3° | 179.8° |
| C03 | C04 | C05 | H11 | 58.2° | 60.1° |
| C03 | C04 | C05 | H12 | 178.1° | 180.0° |
| C03 | C04 | C05 | H13 | 61.9° | 60.0° |
| C03 | C04 | C06 | H14 | 56.4° | 60.0° |
| C03 | C04 | C06 | H15 | 63.6° | 180.0° |
| C03 | C04 | C06 | H16 | 176.4° | 60.0° |
| C03 | C04 | C07 | H17 | 57.4° | 65.0° |
| C03 | C04 | C07 | H18 | 177.4° | 175.0° |
| C03 | C04 | C07 | H19 | 62.6° | 55.0° |
| C04 | C03 | C08 | H20 | 0.1° | 0.3° |
| C05 | C04 | C03 | C08 | 118.6° | 9.0° |
| C05 | C04 | C03 | N02 | 61.9° | 171.3° |
| C04 | C05 | H11 | H12 | 120.0° | 120.0° |
| C04 | C05 | H11 | H13 | 120.0° | 120.1° |
| C04 | C05 | H12 | H13 | 120.0° | 120.0° |
| C05 | C04 | C06 | H14 | 63.4° | 180.0° |
| C05 | C04 | C06 | H15 | 176.5° | 60.0° |
| C05 | C04 | C06 | H16 | 56.6° | 60.0° |
| C05 | C04 | C07 | H17 | 63.1° | 55.0° |
| C05 | C04 | C07 | H18 | 56.9° | 65.0° |
| C05 | C04 | C07 | H19 | 176.9° | 175.0° |
| C29 | N30 | C31 | C32 | 80.8° | 179.9° |
| C29 | N30 | C31 | H30 | 180.0° | 179.9° |
| C29 | N30 | C31 | H23 | 40.0° | 60.0° |
| C29 | N30 | C31 | H24 | 158.4° | 60.0° |
| N35 | C18 | N17 | C13 | 0.2° | 0.0° |
| C18 | N35 | C11 | N10 | 179.8° | 180.0° |
| C18 | N35 | C11 | C12 | 0.6° | 0.0° |
| N35 | C18 | N19 | H29 | 139.1° | 0.1° |
| N17 | C18 | N35 | C11 | 0.4° | 0.0° |
| C18 | N17 | C13 | C12 | 0.6° | 0.0° |
| C18 | N17 | C13 | N14 | 179.8° | 180.0° |
| N17 | C18 | N19 | H29 | 40.8° | 179.8° |
| C03 | C08 | C09 | H20 | 180.0° | 179.9° |
| C08 | C03 | N02 | C01 | 179.2° | 180.0° |
| C08 | C03 | N02 | N36 | 0.2° | 0.0° |
| C03 | C08 | C09 | N36 | 0.8° | 0.0° |
| C03 | C08 | C09 | N10 | 179.5° | 180.0° |
| N02 | C03 | C08 | C09 | 0.3° | 0.0° |
| C03 | N02 | C01 | N36 | 179.0° | 180.0° |
| C03 | N02 | N36 | C09 | 0.7° | 0.0° |
| C03 | N02 | C01 | H8 | 179.0° | 84.9° |
| C03 | N02 | C01 | H9 | 61.0° | 155.1° |
| C03 | N02 | C01 | H10 | 59.0° | 35.1° |
| N02 | C03 | C08 | H20 | 179.7° | 180.0° |
| C08 | C09 | N36 | N02 | 0.9° | 0.0° |
| C08 | C09 | N36 | N10 | 179.7° | 179.9° |
| C08 | C09 | N10 | C11 | 1.4° | 0.1° |
| C08 | C09 | N10 | H27 | 178.7° | 180.0° |
| N35 | C11 | N10 | C09 | 6.8° | 0.1° |
| N35 | C11 | N10 | C12 | 179.1° | 180.0° |
| N35 | C11 | C12 | C13 | 0.3° | 0.0° |
| N35 | C11 | C12 | C16 | 179.5° | 180.0° |
| N35 | C11 | N10 | H27 | 173.2° | 180.0° |
| C31 | C32 | N33 | H25 | 119.3° | 120.0° |
| C31 | C32 | N33 | H26 | 119.4° | 120.0° |
| C32 | C31 | N30 | H23 | 120.8° | 119.9° |
| C32 | C31 | N30 | H24 | 120.8° | 120.0° |
| C32 | C31 | H23 | H24 | 117.4° | 120.0° |
| C31 | C32 | H25 | H26 | 121.9° | 120.0° |
| C32 | C31 | N30 | H30 | 99.1° | 0.0° |
| C31 | C32 | N33 | H31 | 180.0° | 56.1° |
| C31 | C32 | N33 | H32 | 60.0° | 180.0° |
| N33 | C32 | C31 | N30 | 176.6° | 180.0° |
| N33 | C32 | C31 | H23 | 62.6° | 60.0° |
| N33 | C32 | C31 | H24 | 55.7° | 60.0° |
| N33 | C32 | H25 | H26 | 121.9° | 120.0° |
| C32 | N33 | H31 | H32 | 120.0° | 124.0° |
| N30 | C31 | H23 | H24 | 117.5° | 120.0° |
| N30 | C31 | C32 | H25 | 64.1° | 60.0° |
| N30 | C31 | C32 | H26 | 57.2° | 60.0° |
| N17 | C13 | C12 | C11 | 0.4° | 0.0° |
| N17 | C13 | C12 | N14 | 179.7° | 180.0° |
| N17 | C13 | C12 | C16 | 179.8° | 180.0° |
| N17 | C13 | N14 | N15 | 179.8° | 180.0° |
| N17 | C13 | N14 | H28 | 0.2° | 0.1° |
| C01 | N02 | N36 | C09 | 180.0° | 180.0° |
| N02 | C01 | H8 | H9 | 120.0° | 120.0° |
| N02 | C01 | H8 | H10 | 120.0° | 120.0° |
| N02 | C01 | H9 | H10 | 120.0° | 120.0° |
| N02 | N36 | C09 | N10 | 179.4° | 180.0° |
| N36 | N02 | C01 | H8 | 0.0° | 95.1° |
| N36 | N02 | C01 | H9 | 120.0° | 24.9° |
| N36 | N02 | C01 | H10 | 120.0° | 144.9° |
| N36 | C09 | N10 | C11 | 178.3° | 180.0° |
| N36 | C09 | C08 | H20 | 179.2° | 180.0° |
| N36 | C09 | N10 | H27 | 1.7° | 0.1° |
| C09 | N10 | C11 | H27 | 180.0° | 179.9° |
| C09 | N10 | C11 | C12 | 174.1° | 180.0° |
| N10 | C09 | C08 | H20 | 0.5° | 0.1° |
| N10 | C11 | C12 | C13 | 179.3° | 180.0° |
| N10 | C11 | C12 | C16 | 0.4° | 0.0° |
| C11 | C12 | C13 | C16 | 179.8° | 180.0° |
| C11 | C12 | C13 | N14 | 180.0° | 180.0° |
| C11 | C12 | C16 | N15 | 179.9° | 180.0° |
| C11 | C12 | C16 | H7 | 0.2° | 0.1° |
| C12 | C11 | N10 | H27 | 5.9° | 0.0° |
| C12 | C13 | N14 | N15 | 0.1° | 0.0° |
| C13 | C12 | C16 | N15 | 0.1° | 0.0° |
| C13 | C12 | C16 | H7 | 179.9° | 180.0° |
| C12 | C13 | N14 | H28 | 179.9° | 179.9° |
| N14 | C13 | C12 | C16 | 0.1° | 0.0° |
| C13 | N14 | N15 | H28 | 180.0° | 179.9° |
| C13 | N14 | N15 | C16 | 0.0° | 0.0° |
| C12 | C16 | N15 | N14 | 0.1° | 0.0° |
| C12 | C16 | N15 | H7 | 180.0° | 179.9° |
| N14 | N15 | C16 | H7 | 180.0° | 179.9° |
| C16 | N15 | N14 | H28 | 179.9° | 179.9° |
| H1 | C20 | C27 | H21 | 169.3° | 55.0° |
| H1 | C20 | C27 | H22 | 49.6° | 65.0° |
| H1 | C20 | N19 | H29 | 166.4° | 145.1° |
| H2 | C26 | C25 | H3 | 0.4° | 0.0° |
| H3 | C25 | C24 | H4 | 0.1° | 0.2° |
| H4 | C24 | C23 | H5 | 0.3° | 0.3° |
| H5 | C23 | C22 | H6 | 0.1° | 0.3° |
| H8 | C01 | H9 | H10 | 119.9° | 120.0° |
| H11 | C05 | H12 | H13 | 120.0° | 120.0° |
| H14 | C06 | H15 | H16 | 120.0° | 119.9° |
| H17 | C07 | H18 | H19 | 120.0° | 120.0° |
| H23 | C31 | C32 | H25 | 56.7° | 60.0° |
| H23 | C31 | C32 | H26 | 178.0° | 180.0° |
| H23 | C31 | N30 | H30 | 140.1° | 119.9° |
| H24 | C31 | C32 | H25 | 175.1° | 180.0° |
| H24 | C31 | C32 | H26 | 63.6° | 60.0° |
| H24 | C31 | N30 | H30 | 21.7° | 120.0° |
| H25 | C32 | N33 | H31 | 60.6° | 63.9° |
| H25 | C32 | N33 | H32 | 179.4° | 60.0° |
| H26 | C32 | N33 | H31 | 60.7° | 176.1° |
| H26 | C32 | N33 | H32 | 59.3° | 60.0° |
