52I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C29 | C24 | sing | 1.38Å | 1.42Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| O30 | C16 | doub | 1.22Å | 1.22Å | |
| C24 | C20 | sing | 1.51Å | 1.49Å | |
| C24 | C25 | doub | 1.40Å | 1.37Å | Aromatic |
| O11 | C12 | sing | 1.43Å | 1.40Å | |
| O11 | C10 | sing | 1.36Å | 1.40Å | |
| C20 | N17 | sing | 1.47Å | 1.44Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | C37 | sing | 1.53Å | 1.53Å | |
| C22 | C21 | sing | 1.53Å | 1.55Å | |
| C16 | N17 | sing | 1.35Å | 1.46Å | |
| C16 | C15 | sing | 1.46Å | 1.53Å | |
| C26 | C25 | sing | 1.40Å | 1.42Å | Aromatic |
| C14 | C15 | doub | 1.35Å | 1.41Å | |
| C14 | C13 | sing | 1.47Å | 1.53Å | |
| N17 | N18 | sing | 1.40Å | 1.36Å | |
| C25 | C19 | sing | 1.47Å | 1.49Å | |
| C10 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C07 | sing | 1.39Å | 1.41Å | Aromatic |
| O08 | C07 | sing | 1.36Å | 1.38Å | |
| O08 | C09 | sing | 1.43Å | 1.39Å | |
| C13 | C31 | sing | 1.40Å | 1.41Å | Aromatic |
| N18 | C19 | doub | 1.30Å | 1.43Å | |
| C07 | C06 | doub | 1.39Å | 1.42Å | Aromatic |
| N33 | C32 | doub | 1.32Å | 1.37Å | Aromatic |
| N33 | C34 | sing | 1.32Å | 1.35Å | Aromatic |
| C31 | C05 | doub | 1.38Å | 1.41Å | Aromatic |
| C32 | C03 | sing | 1.38Å | 1.41Å | Aromatic |
| C06 | C05 | sing | 1.39Å | 1.40Å | Aromatic |
| N35 | C34 | sing | 1.38Å | 1.46Å | |
| C05 | C04 | sing | 1.51Å | 1.54Å | |
| C34 | N36 | doub | 1.32Å | 1.35Å | Aromatic |
| C03 | C04 | sing | 1.51Å | 1.54Å | |
| C03 | C02 | doub | 1.40Å | 1.42Å | Aromatic |
| N36 | C02 | sing | 1.33Å | 1.36Å | Aromatic |
| C02 | N01 | sing | 1.39Å | 1.44Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| N01 | H4 | sing | 0.97Å | 1.00Å | |
| N01 | H5 | sing | 0.97Å | 1.00Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.08Å | 1.08Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C31 | H12 | sing | 1.08Å | 1.08Å | |
| C32 | H13 | sing | 1.08Å | 1.08Å | |
| N35 | H14 | sing | 0.97Å | 1.00Å | |
| N35 | H15 | sing | 0.97Å | 1.00Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C26 | H20 | sing | 1.08Å | 1.08Å | |
| C27 | H21 | sing | 1.08Å | 1.08Å | |
| C28 | H22 | sing | 1.08Å | 1.08Å | |
| C29 | H23 | sing | 1.08Å | 1.08Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.08Å | 1.08Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C37 | H32 | sing | 1.09Å | 1.10Å | |
| C37 | H33 | sing | 1.09Å | 1.10Å | |
| C37 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C28 | C27 | 120.2° | 120.4° |
| C28 | C29 | C24 | 119.5° | 119.9° |
| C29 | C28 | H22 | 119.9° | 119.8° |
| C28 | C29 | H23 | 120.3° | 120.1° |
| C28 | C27 | C26 | 120.2° | 120.2° |
| C28 | C27 | H21 | 119.9° | 119.9° |
| C27 | C28 | H22 | 119.9° | 119.8° |
| C29 | C24 | C20 | 122.0° | 120.8° |
| C29 | C24 | C25 | 120.3° | 120.0° |
| C24 | C29 | H23 | 120.3° | 120.0° |
| C27 | C26 | C25 | 119.4° | 119.7° |
| C27 | C26 | H20 | 120.3° | 120.1° |
| C26 | C27 | H21 | 119.9° | 119.9° |
| O30 | C16 | N17 | 120.0° | 120.0° |
| O30 | C16 | C15 | 119.8° | 120.0° |
| C20 | C24 | C25 | 117.8° | 119.2° |
| C24 | C20 | N17 | 112.7° | 108.4° |
| C24 | C20 | C21 | 109.9° | 109.6° |
| C24 | C20 | H24 | 108.3° | 109.6° |
| C24 | C25 | C26 | 120.4° | 119.8° |
| C24 | C25 | C19 | 117.8° | 119.4° |
| C12 | O11 | C10 | 119.7° | 117.0° |
| O11 | C12 | H1 | 109.5° | 109.4° |
| O11 | C12 | H2 | 109.5° | 109.5° |
| O11 | C12 | H3 | 109.5° | 109.5° |
| O11 | C10 | C13 | 119.8° | 120.2° |
| O11 | C10 | C07 | 120.2° | 120.2° |
| N17 | C20 | C21 | 109.2° | 109.9° |
| C20 | N17 | C16 | 118.8° | 120.2° |
| C20 | N17 | N18 | 122.1° | 119.6° |
| N17 | C20 | H24 | 109.1° | 109.6° |
| C20 | C21 | C22 | 117.8° | 109.5° |
| C21 | C20 | H24 | 107.6° | 109.8° |
| C20 | C21 | H25 | 107.3° | 109.5° |
| C20 | C21 | H26 | 107.4° | 109.4° |
| C23 | C22 | C37 | 113.6° | 109.5° |
| C23 | C22 | C21 | 113.7° | 109.4° |
| C23 | C22 | H28 | 105.0° | 109.4° |
| C22 | C23 | H29 | 109.5° | 109.4° |
| C22 | C23 | H30 | 109.5° | 109.5° |
| C22 | C23 | H31 | 109.4° | 109.4° |
| C37 | C22 | C21 | 113.8° | 109.5° |
| C37 | C22 | H28 | 104.9° | 109.5° |
| C22 | C37 | H32 | 109.5° | 109.5° |
| C22 | C37 | H33 | 109.5° | 109.5° |
| C22 | C37 | H34 | 109.4° | 109.5° |
| C22 | C21 | H25 | 107.3° | 109.5° |
| C22 | C21 | H26 | 107.4° | 109.5° |
| C21 | C22 | H28 | 104.7° | 109.5° |
| N17 | C16 | C15 | 120.2° | 120.0° |
| C16 | N17 | N18 | 119.0° | 120.2° |
| C16 | C15 | C14 | 119.3° | 120.0° |
| C16 | C15 | H27 | 120.3° | 120.0° |
| C26 | C25 | C19 | 121.7° | 120.8° |
| C25 | C26 | H20 | 120.3° | 120.2° |
| C15 | C14 | C13 | 120.3° | 120.0° |
| C15 | C14 | H16 | 119.9° | 120.0° |
| C14 | C15 | H27 | 120.4° | 120.0° |
| C14 | C13 | C10 | 119.5° | 120.2° |
| C14 | C13 | C31 | 120.4° | 120.2° |
| C13 | C14 | H16 | 119.8° | 120.0° |
| N17 | N18 | C19 | 116.3° | 120.0° |
| C25 | C19 | N18 | 112.5° | 119.8° |
| C25 | C19 | H19 | 123.8° | 120.1° |
| C13 | C10 | C07 | 120.0° | 119.6° |
| C10 | C13 | C31 | 120.1° | 119.6° |
| C10 | C07 | O08 | 119.9° | 120.0° |
| C10 | C07 | C06 | 119.9° | 120.0° |
| C07 | O08 | C09 | 119.9° | 117.0° |
| O08 | C07 | C06 | 120.2° | 120.0° |
| O08 | C09 | H9 | 109.5° | 109.5° |
| O08 | C09 | H10 | 109.4° | 109.4° |
| O08 | C09 | H11 | 109.4° | 109.5° |
| C13 | C31 | C05 | 119.9° | 120.0° |
| C13 | C31 | H12 | 120.1° | 120.0° |
| N18 | C19 | H19 | 123.7° | 120.1° |
| C07 | C06 | C05 | 120.3° | 120.4° |
| C07 | C06 | H8 | 119.8° | 119.8° |
| C32 | N33 | C34 | 122.8° | 120.9° |
| N33 | C32 | C03 | 117.9° | 119.3° |
| N33 | C32 | H13 | 121.0° | 120.4° |
| N33 | C34 | N35 | 120.1° | 119.2° |
| N33 | C34 | N36 | 120.1° | 121.6° |
| C31 | C05 | C06 | 119.8° | 120.4° |
| C31 | C05 | C04 | 120.4° | 119.8° |
| C05 | C31 | H12 | 120.1° | 120.0° |
| C32 | C03 | C04 | 120.8° | 120.8° |
| C32 | C03 | C02 | 118.7° | 118.5° |
| C03 | C32 | H13 | 121.0° | 120.3° |
| C06 | C05 | C04 | 119.8° | 119.8° |
| C05 | C06 | H8 | 119.9° | 119.9° |
| N35 | C34 | N36 | 119.7° | 119.2° |
| C34 | N35 | H14 | 109.5° | 120.0° |
| C34 | N35 | H15 | 109.5° | 120.0° |
| C05 | C04 | C03 | 112.1° | 109.4° |
| C05 | C04 | H6 | 108.8° | 109.5° |
| C05 | C04 | H7 | 108.8° | 109.4° |
| C34 | N36 | C02 | 121.0° | 120.6° |
| C04 | C03 | C02 | 120.5° | 120.8° |
| C03 | C04 | H6 | 108.8° | 109.5° |
| C03 | C04 | H7 | 108.8° | 109.5° |
| C03 | C02 | N36 | 119.6° | 119.0° |
| C03 | C02 | N01 | 121.0° | 120.5° |
| N36 | C02 | N01 | 119.4° | 120.5° |
| C02 | N01 | H4 | 109.5° | 120.0° |
| C02 | N01 | H5 | 109.5° | 120.0° |
| H1 | C12 | H2 | 109.5° | 109.5° |
| H1 | C12 | H3 | 109.4° | 109.4° |
| H2 | C12 | H3 | 109.5° | 109.5° |
| H4 | N01 | H5 | 109.5° | 120.0° |
| H6 | C04 | H7 | 109.5° | 109.5° |
| H9 | C09 | H10 | 109.5° | 109.4° |
| H9 | C09 | H11 | 109.5° | 109.5° |
| H10 | C09 | H11 | 109.5° | 109.5° |
| H14 | N35 | H15 | 109.4° | 120.0° |
| H25 | C21 | H26 | 109.5° | 109.5° |
| H29 | C23 | H30 | 109.5° | 109.5° |
| H29 | C23 | H31 | 109.5° | 109.5° |
| H30 | C23 | H31 | 109.5° | 109.5° |
| H32 | C37 | H33 | 109.5° | 109.4° |
| H32 | C37 | H34 | 109.5° | 109.5° |
| H33 | C37 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C28 | C27 | H22 | 180.0° | 180.0° |
| C28 | C29 | C24 | H23 | 180.0° | 179.9° |
| C29 | C28 | C27 | C26 | 0.0° | 0.6° |
| C28 | C29 | C24 | C20 | 180.0° | 178.6° |
| C28 | C29 | C24 | C25 | 0.0° | 0.8° |
| C29 | C28 | C27 | H21 | 180.0° | 179.4° |
| C27 | C28 | C29 | C24 | 0.0° | 0.4° |
| C28 | C27 | C26 | H21 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 0.0° | 0.4° |
| C28 | C27 | C26 | H20 | 179.9° | 179.6° |
| C27 | C28 | C29 | H23 | 180.0° | 179.7° |
| C29 | C24 | C20 | C25 | 180.0° | 179.3° |
| C29 | C24 | C20 | N17 | 148.3° | 153.3° |
| C29 | C24 | C20 | C21 | 89.7° | 86.8° |
| C29 | C24 | C25 | C26 | 0.0° | 1.7° |
| C29 | C24 | C25 | C19 | 180.0° | 179.2° |
| C24 | C29 | C28 | H22 | 180.0° | 179.6° |
| C29 | C24 | C20 | H24 | 27.5° | 33.7° |
| C27 | C26 | C25 | C24 | 0.0° | 1.5° |
| C27 | C26 | C25 | H20 | 180.0° | 180.0° |
| C27 | C26 | C25 | C19 | 180.0° | 179.4° |
| C26 | C27 | C28 | H22 | 180.0° | 179.4° |
| O30 | C16 | N17 | C20 | 0.1° | 0.3° |
| O30 | C16 | N17 | C15 | 180.0° | 180.0° |
| O30 | C16 | C15 | C14 | 21.9° | 0.0° |
| O30 | C16 | N17 | N18 | 180.0° | 180.0° |
| O30 | C16 | C15 | H27 | 158.1° | 180.0° |
| C24 | C20 | N17 | C21 | 122.4° | 119.7° |
| C24 | C20 | N17 | H24 | 120.3° | 119.6° |
| C24 | C20 | C21 | H24 | 117.7° | 120.4° |
| C24 | C20 | C21 | C22 | 111.0° | 174.2° |
| C24 | C20 | N17 | C16 | 152.7° | 137.0° |
| C20 | C24 | C25 | C26 | 180.0° | 177.6° |
| C24 | C20 | N17 | N18 | 27.2° | 43.4° |
| C20 | C24 | C25 | C19 | 0.0° | 1.4° |
| C20 | C24 | C29 | H23 | 0.0° | 1.5° |
| C24 | C20 | C21 | H25 | 10.1° | 54.2° |
| C24 | C20 | C21 | H26 | 127.8° | 65.8° |
| C25 | C24 | C20 | N17 | 31.7° | 27.4° |
| C25 | C24 | C20 | C21 | 90.3° | 92.5° |
| C24 | C25 | C26 | C19 | 180.0° | 179.1° |
| C24 | C25 | C19 | N18 | 37.5° | 13.7° |
| C24 | C25 | C19 | H19 | 142.6° | 166.2° |
| C24 | C25 | C26 | H20 | 179.9° | 178.5° |
| C25 | C24 | C29 | H23 | 180.0° | 179.2° |
| C25 | C24 | C20 | H24 | 152.4° | 146.9° |
| C12 | O11 | C10 | C13 | 89.6° | 90.0° |
| C12 | O11 | C10 | C07 | 90.4° | 90.3° |
| O11 | C12 | H1 | H2 | 120.0° | 120.0° |
| O11 | C12 | H1 | H3 | 120.0° | 119.9° |
| O11 | C12 | H2 | H3 | 120.0° | 120.0° |
| O11 | C10 | C13 | C14 | 0.0° | 0.3° |
| O11 | C10 | C13 | C07 | 180.0° | 179.7° |
| O11 | C10 | C07 | O08 | 0.0° | 0.3° |
| O11 | C10 | C13 | C31 | 180.0° | 179.8° |
| O11 | C10 | C07 | C06 | 180.0° | 179.7° |
| C10 | O11 | C12 | H1 | 180.0° | 180.0° |
| C10 | O11 | C12 | H2 | 60.0° | 60.0° |
| C10 | O11 | C12 | H3 | 60.0° | 60.0° |
| N17 | C20 | C21 | H24 | 118.3° | 120.6° |
| N17 | C20 | C21 | C22 | 124.9° | 66.8° |
| C20 | N17 | C16 | N18 | 179.9° | 179.7° |
| C20 | N17 | C16 | C15 | 180.0° | 179.7° |
| C20 | N17 | N18 | C19 | 10.4° | 32.3° |
| N17 | C20 | C21 | H25 | 113.9° | 173.2° |
| N17 | C20 | C21 | H26 | 3.7° | 53.2° |
| C20 | C21 | C22 | C23 | 95.3° | 66.2° |
| C20 | C21 | C22 | C37 | 132.6° | 173.8° |
| C20 | C21 | C22 | H25 | 121.2° | 120.0° |
| C20 | C21 | C22 | H26 | 121.2° | 119.9° |
| C21 | C20 | N17 | C16 | 85.0° | 103.3° |
| C21 | C20 | N17 | N18 | 95.1° | 76.4° |
| C20 | C21 | H25 | H26 | 116.2° | 120.0° |
| C20 | C21 | C22 | H28 | 18.7° | 53.7° |
| C23 | C22 | C37 | C21 | 132.1° | 120.0° |
| C23 | C22 | C37 | H28 | 114.1° | 120.0° |
| C23 | C22 | C21 | H28 | 114.0° | 120.0° |
| C23 | C22 | C21 | H25 | 143.5° | 53.8° |
| C23 | C22 | C21 | H26 | 25.9° | 173.9° |
| C22 | C23 | H29 | H30 | 120.0° | 120.0° |
| C22 | C23 | H29 | H31 | 120.0° | 120.0° |
| C22 | C23 | H30 | H31 | 120.0° | 120.0° |
| C23 | C22 | C37 | H32 | 180.0° | 59.3° |
| C23 | C22 | C37 | H33 | 60.0° | 60.6° |
| C23 | C22 | C37 | H34 | 60.0° | 179.3° |
| C37 | C22 | C21 | H28 | 113.9° | 120.1° |
| C37 | C22 | C21 | H25 | 11.4° | 66.2° |
| C37 | C22 | C21 | H26 | 106.2° | 53.9° |
| C37 | C22 | C23 | H29 | 180.0° | 60.0° |
| C37 | C22 | C23 | H30 | 60.0° | 180.0° |
| C37 | C22 | C23 | H31 | 60.0° | 59.9° |
| C22 | C37 | H32 | H33 | 120.0° | 120.0° |
| C22 | C37 | H32 | H34 | 120.0° | 120.0° |
| C22 | C37 | H33 | H34 | 120.0° | 120.0° |
| C22 | C21 | C20 | H24 | 6.7° | 53.8° |
| C22 | C21 | H25 | H26 | 116.2° | 120.0° |
| C21 | C22 | C23 | H29 | 47.8° | 180.0° |
| C21 | C22 | C23 | H30 | 167.8° | 60.0° |
| C21 | C22 | C23 | H31 | 72.2° | 60.0° |
| C21 | C22 | C37 | H32 | 47.8° | 179.3° |
| C21 | C22 | C37 | H33 | 72.1° | 59.3° |
| C21 | C22 | C37 | H34 | 167.9° | 60.7° |
| N17 | C16 | C15 | C14 | 158.1° | 180.0° |
| C16 | N17 | N18 | C19 | 169.7° | 148.0° |
| C16 | N17 | C20 | H24 | 32.4° | 17.4° |
| N17 | C16 | C15 | H27 | 21.9° | 0.0° |
| C16 | C15 | C14 | H27 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 174.8° | 180.0° |
| C15 | C16 | N17 | N18 | 0.1° | 0.0° |
| C16 | C15 | C14 | H16 | 5.2° | 0.0° |
| C26 | C25 | C19 | N18 | 142.5° | 167.3° |
| C26 | C25 | C19 | H19 | 37.5° | 12.8° |
| C25 | C26 | C27 | H21 | 179.9° | 179.6° |
| C15 | C14 | C13 | H16 | 180.0° | 180.0° |
| C15 | C14 | C13 | C10 | 167.0° | 180.0° |
| C15 | C14 | C13 | C31 | 13.0° | 0.1° |
| C14 | C13 | C10 | C31 | 179.9° | 180.0° |
| C14 | C13 | C10 | C07 | 180.0° | 180.0° |
| C14 | C13 | C31 | C05 | 179.8° | 180.0° |
| C14 | C13 | C31 | H12 | 0.3° | 0.1° |
| C13 | C14 | C15 | H27 | 5.2° | 0.0° |
| N17 | N18 | C19 | C25 | 42.7° | 1.4° |
| N17 | N18 | C19 | H19 | 137.3° | 178.7° |
| N18 | N17 | C20 | H24 | 147.5° | 162.9° |
| C25 | C19 | N18 | H19 | 180.0° | 179.9° |
| C19 | C25 | C26 | H20 | 0.0° | 0.6° |
| C13 | C10 | C07 | O08 | 180.0° | 180.0° |
| C13 | C10 | C07 | C06 | 0.0° | 0.0° |
| C10 | C13 | C31 | C05 | 0.2° | 0.0° |
| C10 | C13 | C31 | H12 | 179.8° | 180.0° |
| C10 | C13 | C14 | H16 | 13.0° | 0.0° |
| C10 | C07 | O08 | C06 | 180.0° | 180.0° |
| C10 | C07 | O08 | C09 | 165.9° | 180.0° |
| C07 | C10 | C13 | C31 | 0.0° | 0.0° |
| C10 | C07 | C06 | C05 | 0.2° | 0.0° |
| C10 | C07 | C06 | H8 | 179.9° | 180.0° |
| O08 | C07 | C06 | C05 | 179.8° | 180.0° |
| O08 | C07 | C06 | H8 | 0.2° | 0.0° |
| C07 | O08 | C09 | H9 | 180.0° | 180.0° |
| C07 | O08 | C09 | H10 | 60.0° | 60.1° |
| C07 | O08 | C09 | H11 | 60.0° | 60.0° |
| C09 | O08 | C07 | C06 | 14.1° | 0.0° |
| O08 | C09 | H9 | H10 | 120.0° | 119.9° |
| O08 | C09 | H9 | H11 | 120.0° | 120.0° |
| O08 | C09 | H10 | H11 | 120.0° | 120.0° |
| C13 | C31 | C05 | H12 | 180.0° | 180.0° |
| C13 | C31 | C05 | C06 | 0.4° | 0.1° |
| C13 | C31 | C05 | C04 | 179.7° | 180.0° |
| C31 | C13 | C14 | H16 | 167.0° | 180.0° |
| C07 | C06 | C05 | C31 | 0.4° | 0.0° |
| C07 | C06 | C05 | H8 | 180.0° | 180.0° |
| C07 | C06 | C05 | C04 | 179.7° | 180.0° |
| N33 | C32 | C03 | H13 | 180.0° | 179.9° |
| C32 | N33 | C34 | N35 | 180.0° | 180.0° |
| C32 | N33 | C34 | N36 | 0.0° | 0.2° |
| N33 | C32 | C03 | C04 | 179.9° | 180.0° |
| N33 | C32 | C03 | C02 | 0.1° | 0.0° |
| C34 | N33 | C32 | C03 | 0.0° | 0.0° |
| N33 | C34 | N35 | N36 | 180.0° | 179.7° |
| N33 | C34 | N36 | C02 | 0.0° | 0.5° |
| C34 | N33 | C32 | H13 | 180.0° | 180.0° |
| N33 | C34 | N35 | H14 | 0.0° | 0.0° |
| N33 | C34 | N35 | H15 | 120.0° | 180.0° |
| C31 | C05 | C06 | C04 | 179.3° | 180.0° |
| C31 | C05 | C04 | C03 | 67.3° | 90.0° |
| C31 | C05 | C04 | H6 | 172.3° | 150.1° |
| C31 | C05 | C04 | H7 | 53.1° | 30.0° |
| C31 | C05 | C06 | H8 | 179.7° | 180.0° |
| C32 | C03 | C04 | C05 | 9.7° | 95.0° |
| C32 | C03 | C04 | C02 | 179.9° | 180.0° |
| C32 | C03 | C02 | N36 | 0.1° | 0.3° |
| C32 | C03 | C02 | N01 | 180.0° | 180.0° |
| C32 | C03 | C04 | H6 | 130.1° | 25.0° |
| C32 | C03 | C04 | H7 | 110.7° | 145.0° |
| C06 | C05 | C04 | C03 | 113.4° | 90.0° |
| C06 | C05 | C04 | H6 | 7.1° | 30.0° |
| C06 | C05 | C04 | H7 | 126.2° | 150.0° |
| C06 | C05 | C31 | H12 | 179.6° | 180.0° |
| N35 | C34 | N36 | C02 | 179.9° | 179.7° |
| C34 | N35 | H14 | H15 | 120.0° | 180.0° |
| C05 | C04 | C03 | H6 | 120.4° | 120.0° |
| C05 | C04 | C03 | H7 | 120.4° | 119.9° |
| C05 | C04 | C03 | C02 | 170.4° | 85.0° |
| C05 | C04 | H6 | H7 | 118.8° | 120.0° |
| C04 | C05 | C06 | H8 | 0.3° | 0.0° |
| C04 | C05 | C31 | H12 | 0.3° | 0.0° |
| C34 | N36 | C02 | C03 | 0.1° | 0.6° |
| C34 | N36 | C02 | N01 | 180.0° | 179.7° |
| N36 | C34 | N35 | H14 | 180.0° | 179.7° |
| N36 | C34 | N35 | H15 | 60.1° | 0.3° |
| C04 | C03 | C02 | N36 | 180.0° | 179.7° |
| C04 | C03 | C02 | N01 | 0.1° | 0.0° |
| C03 | C04 | H6 | H7 | 118.8° | 120.0° |
| C04 | C03 | C32 | H13 | 0.1° | 0.0° |
| C03 | C02 | N36 | N01 | 179.9° | 179.7° |
| C03 | C02 | N01 | H4 | 179.9° | 0.0° |
| C03 | C02 | N01 | H5 | 59.9° | 180.0° |
| C02 | C03 | C04 | H6 | 50.1° | 155.0° |
| C02 | C03 | C04 | H7 | 69.2° | 34.9° |
| C02 | C03 | C32 | H13 | 179.9° | 179.9° |
| N36 | C02 | N01 | H4 | 0.0° | 179.7° |
| N36 | C02 | N01 | H5 | 120.0° | 0.3° |
| C02 | N01 | H4 | H5 | 120.0° | 180.0° |
| H1 | C12 | H2 | H3 | 120.0° | 120.0° |
| H9 | C09 | H10 | H11 | 120.0° | 120.0° |
| H16 | C14 | C15 | H27 | 174.9° | 180.0° |
| H20 | C26 | C27 | H21 | 0.1° | 0.4° |
| H21 | C27 | C28 | H22 | 0.1° | 0.6° |
| H22 | C28 | C29 | H23 | 0.0° | 0.3° |
| H24 | C20 | C21 | H25 | 127.8° | 66.2° |
| H24 | C20 | C21 | H26 | 114.5° | 173.8° |
| H25 | C21 | C22 | H28 | 102.5° | 173.8° |
| H26 | C21 | C22 | H28 | 139.9° | 66.2° |
| H28 | C22 | C23 | H29 | 66.0° | 60.0° |
| H28 | C22 | C23 | H30 | 54.0° | 60.0° |
| H28 | C22 | C23 | H31 | 174.0° | NaN° |
| H28 | C22 | C37 | H32 | 65.9° | 60.7° |
| H28 | C22 | C37 | H33 | 174.1° | 179.3° |
| H28 | C22 | C37 | H34 | 54.1° | 59.3° |
| H29 | C23 | H30 | H31 | 120.0° | 120.0° |
| H32 | C37 | H33 | H34 | 120.0° | 120.0° |
