A1I9O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C29 | doub | 1.38Å | 1.42Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.51Å | 1.51Å | |
| C26 | N25 | sing | 1.47Å | 1.48Å | |
| C29 | C30 | sing | 1.39Å | 1.41Å | Aromatic |
| C27 | C32 | doub | 1.38Å | 1.37Å | Aromatic |
| C39 | C38 | doub | 1.38Å | 1.40Å | Aromatic |
| C39 | C34 | sing | 1.39Å | 1.39Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| N25 | C24 | sing | 1.47Å | 1.48Å | |
| C30 | C34 | sing | 1.48Å | 1.52Å | |
| C30 | C31 | doub | 1.39Å | 1.41Å | Aromatic |
| C23 | C24 | sing | 1.53Å | 1.50Å | |
| C23 | C22 | sing | 1.53Å | 1.51Å | |
| C32 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| C34 | C35 | doub | 1.39Å | 1.41Å | Aromatic |
| C31 | CL33 | sing | 1.74Å | 1.73Å | |
| C21 | C20 | sing | 1.53Å | 1.51Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C37 | C36 | doub | 1.38Å | 1.37Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | N18 | sing | 1.46Å | 1.49Å | |
| N18 | C11 | sing | 1.38Å | 1.41Å | |
| C17 | C16 | doub | 1.37Å | 1.39Å | Aromatic |
| C17 | C12 | sing | 1.40Å | 1.42Å | Aromatic |
| C16 | N15 | sing | 1.32Å | 1.36Å | Aromatic |
| C11 | C12 | doub | 1.46Å | 1.44Å | Aromatic |
| C11 | N10 | sing | 1.31Å | 1.34Å | Aromatic |
| C12 | C13 | sing | 1.42Å | 1.37Å | Aromatic |
| N10 | C08 | doub | 1.35Å | 1.37Å | Aromatic |
| N15 | C14 | doub | 1.32Å | 1.34Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C07 | doub | 1.47Å | 1.45Å | Aromatic |
| C08 | C07 | sing | 1.41Å | 1.40Å | Aromatic |
| C08 | C09 | sing | 1.40Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.40Å | 1.41Å | Aromatic |
| C09 | C04 | doub | 1.39Å | 1.37Å | Aromatic |
| C06 | C05 | doub | 1.36Å | 1.37Å | Aromatic |
| C04 | C05 | sing | 1.40Å | 1.38Å | Aromatic |
| C04 | C02 | sing | 1.48Å | 1.51Å | |
| O03 | C02 | doub | 1.21Å | 1.27Å | |
| C02 | O01 | sing | 1.35Å | 1.26Å | |
| C17 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.08Å | 1.08Å | |
| C05 | H13 | sing | 1.08Å | 1.08Å | |
| C06 | H14 | sing | 1.08Å | 1.08Å | |
| C09 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C29 | H22 | sing | 1.08Å | 1.08Å | |
| C32 | H23 | sing | 1.08Å | 1.08Å | |
| C35 | H24 | sing | 1.08Å | 1.08Å | |
| C36 | H25 | sing | 1.08Å | 1.08Å | |
| C37 | H26 | sing | 1.08Å | 1.08Å | |
| C38 | H27 | sing | 1.08Å | 1.08Å | |
| C39 | H28 | sing | 1.08Å | 1.08Å | |
| N18 | H29 | sing | 0.97Å | 1.00Å | |
| N25 | H30 | sing | 1.01Å | 1.00Å | |
| O01 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C28 | C27 | 123.1° | 120.2° |
| C28 | C29 | C30 | 124.1° | 119.9° |
| C29 | C28 | H12 | 118.5° | 119.9° |
| C28 | C29 | H22 | 118.0° | 120.1° |
| C28 | C27 | C26 | 125.3° | 119.9° |
| C28 | C27 | C32 | 114.1° | 120.2° |
| C27 | C28 | H12 | 118.5° | 119.9° |
| C27 | C26 | N25 | 117.8° | 109.5° |
| C26 | C27 | C32 | 120.7° | 119.9° |
| C27 | C26 | H10 | 107.4° | 109.5° |
| C27 | C26 | H11 | 107.3° | 109.5° |
| C26 | N25 | C24 | 115.2° | 111.0° |
| N25 | C26 | H10 | 107.3° | 109.4° |
| N25 | C26 | H11 | 107.4° | 109.5° |
| C26 | N25 | H30 | 108.0° | 111.0° |
| C29 | C30 | C34 | 121.7° | 120.2° |
| C29 | C30 | C31 | 110.3° | 119.7° |
| C30 | C29 | H22 | 117.9° | 120.0° |
| C27 | C32 | C31 | 122.6° | 120.2° |
| C27 | C32 | H23 | 118.7° | 119.9° |
| C38 | C39 | C34 | 121.9° | 119.9° |
| C39 | C38 | C37 | 122.1° | 120.1° |
| C39 | C38 | H27 | 119.0° | 119.9° |
| C38 | C39 | H28 | 119.1° | 120.0° |
| C39 | C34 | C30 | 121.0° | 120.1° |
| C39 | C34 | C35 | 114.1° | 119.8° |
| C34 | C39 | H28 | 119.0° | 120.1° |
| C38 | C37 | C36 | 117.6° | 120.3° |
| C38 | C37 | H26 | 121.2° | 119.9° |
| C37 | C38 | H27 | 119.0° | 120.0° |
| N25 | C24 | C23 | 116.6° | 109.4° |
| N25 | C24 | H8 | 107.7° | 109.5° |
| N25 | C24 | H9 | 107.7° | 109.5° |
| C24 | N25 | H30 | 108.0° | 111.0° |
| C34 | C30 | C31 | 128.0° | 120.1° |
| C30 | C34 | C35 | 124.9° | 120.1° |
| C30 | C31 | C32 | 125.9° | 119.8° |
| C30 | C31 | CL33 | 118.8° | 120.1° |
| C24 | C23 | C22 | 116.3° | 109.4° |
| C23 | C24 | H8 | 107.7° | 109.5° |
| C23 | C24 | H9 | 107.7° | 109.5° |
| C24 | C23 | H20 | 107.7° | 109.4° |
| C24 | C23 | H21 | 107.8° | 109.4° |
| C23 | C22 | C21 | 115.6° | 109.4° |
| C23 | C22 | H6 | 107.9° | 109.5° |
| C23 | C22 | H7 | 107.9° | 109.6° |
| C22 | C23 | H20 | 107.7° | 109.5° |
| C22 | C23 | H21 | 107.7° | 109.5° |
| C32 | C31 | CL33 | 115.3° | 120.1° |
| C31 | C32 | H23 | 118.7° | 119.9° |
| C34 | C35 | C36 | 124.8° | 119.9° |
| C34 | C35 | H24 | 117.6° | 120.1° |
| C20 | C21 | C22 | 115.7° | 109.5° |
| C21 | C20 | C19 | 117.1° | 109.5° |
| C21 | C20 | H2 | 107.5° | 109.4° |
| C21 | C20 | H3 | 107.5° | 109.5° |
| C20 | C21 | H4 | 107.9° | 109.5° |
| C20 | C21 | H5 | 107.9° | 109.5° |
| C22 | C21 | H4 | 107.9° | 109.5° |
| C22 | C21 | H5 | 107.9° | 109.5° |
| C21 | C22 | H6 | 107.9° | 109.4° |
| C21 | C22 | H7 | 107.9° | 109.4° |
| C20 | C19 | N18 | 112.1° | 109.5° |
| C19 | C20 | H2 | 107.5° | 109.5° |
| C19 | C20 | H3 | 107.5° | 109.5° |
| C20 | C19 | H18 | 108.8° | 109.5° |
| C20 | C19 | H19 | 108.8° | 109.5° |
| C37 | C36 | C35 | 119.6° | 120.1° |
| C37 | C36 | H25 | 120.2° | 120.0° |
| C36 | C37 | H26 | 121.2° | 119.8° |
| C36 | C35 | H24 | 117.6° | 120.0° |
| C35 | C36 | H25 | 120.2° | 120.0° |
| C19 | N18 | C11 | 121.3° | 120.0° |
| N18 | C19 | H18 | 108.8° | 109.5° |
| N18 | C19 | H19 | 108.8° | 109.4° |
| C19 | N18 | H29 | 106.4° | 120.0° |
| N18 | C11 | C12 | 120.2° | 119.7° |
| N18 | C11 | N10 | 117.6° | 119.7° |
| C11 | N18 | H29 | 106.4° | 120.0° |
| C16 | C17 | C12 | 117.9° | 118.5° |
| C17 | C16 | N15 | 122.2° | 121.8° |
| C16 | C17 | H1 | 121.0° | 120.7° |
| C17 | C16 | H17 | 118.9° | 119.1° |
| C17 | C12 | C11 | 120.2° | 122.9° |
| C17 | C12 | C13 | 120.8° | 118.3° |
| C12 | C17 | H1 | 121.1° | 120.8° |
| C16 | N15 | C14 | 118.3° | 122.6° |
| N15 | C16 | H17 | 118.9° | 119.1° |
| C12 | C11 | N10 | 122.2° | 120.6° |
| C11 | C12 | C13 | 119.1° | 118.8° |
| C11 | N10 | C08 | 118.5° | 123.4° |
| C12 | C13 | C14 | 116.6° | 119.0° |
| C12 | C13 | C07 | 119.4° | 117.7° |
| N10 | C08 | C07 | 124.0° | 121.1° |
| N10 | C08 | C09 | 116.2° | 120.0° |
| N15 | C14 | C13 | 124.1° | 119.8° |
| N15 | C14 | H16 | 117.9° | 120.1° |
| C14 | C13 | C07 | 124.0° | 123.3° |
| C13 | C14 | H16 | 117.9° | 120.1° |
| C13 | C07 | C08 | 116.8° | 118.6° |
| C13 | C07 | C06 | 125.4° | 121.2° |
| C07 | C08 | C09 | 119.8° | 119.0° |
| C08 | C07 | C06 | 117.8° | 120.2° |
| C08 | C09 | C04 | 122.1° | 119.8° |
| C08 | C09 | H15 | 118.9° | 120.1° |
| C07 | C06 | C05 | 120.4° | 120.2° |
| C07 | C06 | H14 | 119.8° | 119.9° |
| C09 | C04 | C05 | 118.3° | 120.5° |
| C09 | C04 | C02 | 121.2° | 119.8° |
| C04 | C09 | H15 | 118.9° | 120.1° |
| C06 | C05 | C04 | 121.5° | 120.4° |
| C06 | C05 | H13 | 119.2° | 119.8° |
| C05 | C06 | H14 | 119.8° | 119.9° |
| C05 | C04 | C02 | 120.4° | 119.8° |
| C04 | C05 | H13 | 119.3° | 119.8° |
| C04 | C02 | O03 | 113.7° | 120.0° |
| C04 | C02 | O01 | 118.7° | 120.0° |
| O03 | C02 | O01 | 127.6° | 120.0° |
| C02 | O01 | H32 | 109.5° | 117.0° |
| H2 | C20 | H3 | 109.5° | 109.5° |
| H4 | C21 | H5 | 109.4° | 109.4° |
| H6 | C22 | H7 | 109.5° | 109.5° |
| H8 | C24 | H9 | 109.5° | 109.5° |
| H10 | C26 | H11 | 109.5° | 109.4° |
| H18 | C19 | H19 | 109.5° | 109.5° |
| H20 | C23 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C28 | C27 | H12 | 180.0° | 179.7° |
| C29 | C28 | C27 | C26 | 179.1° | 180.0° |
| C28 | C29 | C30 | H22 | 180.0° | 179.9° |
| C29 | C28 | C27 | C32 | 0.5° | 0.0° |
| C28 | C29 | C30 | C34 | 179.2° | 179.9° |
| C28 | C29 | C30 | C31 | 1.9° | 0.0° |
| C28 | C27 | C26 | C32 | 179.6° | 180.0° |
| C28 | C27 | C26 | N25 | 98.8° | 90.0° |
| C27 | C28 | C29 | C30 | 1.9° | 0.0° |
| C28 | C27 | C32 | C31 | 0.4° | 0.0° |
| C28 | C27 | C26 | H10 | 22.4° | 150.0° |
| C28 | C27 | C26 | H11 | 140.0° | 30.0° |
| C27 | C28 | C29 | H22 | 178.1° | 180.0° |
| C28 | C27 | C32 | H23 | 179.6° | 180.0° |
| C27 | C26 | N25 | H10 | 121.2° | 120.1° |
| C27 | C26 | N25 | H11 | 121.2° | 120.0° |
| C27 | C26 | N25 | C24 | 148.6° | 179.9° |
| C26 | C27 | C32 | C31 | 179.9° | 180.0° |
| C27 | C26 | H10 | H11 | 116.2° | 120.0° |
| C26 | C27 | C28 | H12 | 0.8° | 0.3° |
| C26 | C27 | C32 | H23 | 0.1° | 0.0° |
| C27 | C26 | N25 | H30 | 27.7° | 56.0° |
| N25 | C26 | C27 | C32 | 81.6° | 90.0° |
| C26 | N25 | C24 | H30 | 120.9° | 123.9° |
| C26 | N25 | C24 | C23 | 131.3° | 180.0° |
| C26 | N25 | C24 | H8 | 10.3° | 60.0° |
| C26 | N25 | C24 | H9 | 107.7° | 60.0° |
| N25 | C26 | H10 | H11 | 116.2° | 119.9° |
| C29 | C30 | C34 | C39 | 3.8° | 50.3° |
| C29 | C30 | C34 | C31 | 178.6° | 179.9° |
| C29 | C30 | C31 | C32 | 1.0° | 0.0° |
| C29 | C30 | C34 | C35 | 175.3° | 130.0° |
| C29 | C30 | C31 | CL33 | 178.7° | 180.0° |
| C30 | C29 | C28 | H12 | 178.1° | 179.7° |
| C27 | C32 | C31 | C30 | 0.2° | 0.0° |
| C27 | C32 | C31 | H23 | 180.0° | 180.0° |
| C27 | C32 | C31 | CL33 | 179.8° | 180.0° |
| C32 | C27 | C26 | H10 | 157.2° | 30.0° |
| C32 | C27 | C26 | H11 | 39.6° | 150.0° |
| C32 | C27 | C28 | H12 | 179.5° | 179.7° |
| C38 | C39 | C34 | H28 | 180.0° | 179.4° |
| C39 | C38 | C37 | H27 | 180.0° | 179.7° |
| C38 | C39 | C34 | C30 | 179.9° | 179.7° |
| C38 | C39 | C34 | C35 | 0.8° | 0.6° |
| C39 | C38 | C37 | C36 | 0.3° | 0.3° |
| C39 | C38 | C37 | H26 | 179.7° | 179.7° |
| C34 | C39 | C38 | C37 | 0.2° | 0.6° |
| C39 | C34 | C30 | C35 | 179.1° | 179.7° |
| C39 | C34 | C30 | C31 | 174.8° | 129.7° |
| C39 | C34 | C35 | C36 | 1.1° | 0.3° |
| C39 | C34 | C35 | H24 | 178.9° | 179.7° |
| C34 | C39 | C38 | H27 | 179.8° | 179.7° |
| C38 | C37 | C36 | H26 | 180.0° | 180.0° |
| C38 | C37 | C36 | C35 | 0.0° | 0.0° |
| C38 | C37 | C36 | H25 | 180.0° | 180.0° |
| C37 | C38 | C39 | H28 | 179.8° | 180.0° |
| N25 | C24 | C23 | H8 | 121.0° | 120.0° |
| N25 | C24 | C23 | H9 | 121.0° | 120.0° |
| N25 | C24 | C23 | C22 | 128.4° | 180.0° |
| N25 | C24 | H8 | H9 | 116.8° | 120.0° |
| C24 | N25 | C26 | H10 | 90.2° | 60.0° |
| C24 | N25 | C26 | H11 | 27.4° | 59.9° |
| N25 | C24 | C23 | H20 | 7.5° | 60.0° |
| N25 | C24 | C23 | H21 | 110.6° | 60.0° |
| C34 | C30 | C31 | C32 | 179.7° | 179.9° |
| C34 | C30 | C31 | CL33 | 0.1° | 0.0° |
| C30 | C34 | C35 | C36 | 179.8° | 180.0° |
| C34 | C30 | C29 | H22 | 0.8° | 0.0° |
| C30 | C34 | C35 | H24 | 0.2° | 0.0° |
| C30 | C34 | C39 | H28 | 0.1° | 0.3° |
| C30 | C31 | C32 | CL33 | 179.6° | 180.0° |
| C31 | C30 | C34 | C35 | 6.1° | 50.1° |
| C31 | C30 | C29 | H22 | 178.1° | 179.9° |
| C30 | C31 | C32 | H23 | 179.8° | 180.0° |
| C24 | C23 | C22 | H20 | 121.0° | 119.9° |
| C24 | C23 | C22 | H21 | 121.0° | 120.0° |
| C24 | C23 | C22 | C21 | 122.0° | 180.0° |
| C24 | C23 | C22 | H6 | 1.1° | 60.0° |
| C24 | C23 | C22 | H7 | 117.1° | 60.0° |
| C23 | C24 | H8 | H9 | 116.8° | 120.0° |
| C24 | C23 | H20 | H21 | 116.9° | 120.0° |
| C23 | C24 | N25 | H30 | 107.8° | 56.1° |
| C23 | C22 | C21 | C20 | 106.5° | 180.0° |
| C23 | C22 | C21 | H6 | 120.9° | 120.0° |
| C23 | C22 | C21 | H7 | 120.9° | 120.1° |
| C23 | C22 | C21 | H4 | 132.6° | 60.0° |
| C23 | C22 | C21 | H5 | 14.4° | 60.0° |
| C23 | C22 | H6 | H7 | 117.2° | 120.1° |
| C22 | C23 | C24 | H8 | 110.5° | 60.0° |
| C22 | C23 | C24 | H9 | 7.4° | 60.0° |
| C22 | C23 | H20 | H21 | 116.9° | 120.1° |
| C34 | C35 | C36 | C37 | 0.7° | 0.0° |
| C34 | C35 | C36 | H24 | 180.0° | 180.0° |
| C34 | C35 | C36 | H25 | 179.3° | 180.0° |
| C35 | C34 | C39 | H28 | 179.2° | 180.0° |
| CL33 | C31 | C32 | H23 | 0.2° | 0.0° |
| C20 | C21 | C22 | H4 | 120.9° | 120.1° |
| C20 | C21 | C22 | H5 | 120.9° | 120.0° |
| C21 | C20 | C19 | H2 | 121.1° | 120.0° |
| C21 | C20 | C19 | H3 | 121.1° | 120.0° |
| C21 | C20 | C19 | N18 | 148.4° | 180.0° |
| C21 | C20 | H2 | H3 | 116.6° | 120.0° |
| C20 | C21 | H4 | H5 | 117.2° | 120.0° |
| C20 | C21 | C22 | H6 | 132.6° | 60.0° |
| C20 | C21 | C22 | H7 | 14.4° | 60.0° |
| C21 | C20 | C19 | H18 | 91.2° | 60.0° |
| C21 | C20 | C19 | H19 | 28.0° | 60.0° |
| C22 | C21 | C20 | C19 | 104.0° | 180.0° |
| C22 | C21 | C20 | H2 | 17.1° | 60.0° |
| C22 | C21 | C20 | H3 | 135.0° | 60.0° |
| C22 | C21 | H4 | H5 | 117.2° | 120.0° |
| C21 | C22 | H6 | H7 | 117.2° | 119.9° |
| C21 | C22 | C23 | H20 | 117.0° | 60.1° |
| C21 | C22 | C23 | H21 | 1.0° | 60.0° |
| C20 | C19 | N18 | H18 | 120.4° | 120.0° |
| C20 | C19 | N18 | H19 | 120.4° | 120.0° |
| C20 | C19 | N18 | C11 | 127.8° | 180.0° |
| C19 | C20 | H2 | H3 | 116.6° | 120.0° |
| C19 | C20 | C21 | H4 | 16.9° | 60.0° |
| C19 | C20 | C21 | H5 | 135.1° | 60.0° |
| C20 | C19 | H18 | H19 | 118.8° | 120.0° |
| C20 | C19 | N18 | H29 | 6.1° | 0.1° |
| C37 | C36 | C35 | H25 | 180.0° | 180.0° |
| C37 | C36 | C35 | H24 | 179.3° | 180.0° |
| C36 | C37 | C38 | H27 | 179.8° | 180.0° |
| C35 | C36 | C37 | H26 | 180.0° | 180.0° |
| C19 | N18 | C11 | H29 | 121.6° | 179.9° |
| C19 | N18 | C11 | C12 | 152.7° | 180.0° |
| C19 | N18 | C11 | N10 | 27.0° | 0.1° |
| N18 | C19 | C20 | H2 | 27.3° | 60.0° |
| N18 | C19 | C20 | H3 | 90.5° | 60.0° |
| N18 | C19 | H18 | H19 | 118.8° | 119.9° |
| N18 | C11 | C12 | C17 | 0.7° | 0.0° |
| N18 | C11 | C12 | N10 | 179.7° | 180.0° |
| N18 | C11 | C12 | C13 | 178.9° | 180.0° |
| N18 | C11 | N10 | C08 | 179.1° | 179.7° |
| C11 | N18 | C19 | H18 | 111.8° | 60.0° |
| C11 | N18 | C19 | H19 | 7.4° | 60.0° |
| C16 | C17 | C12 | H1 | 180.0° | 179.4° |
| C17 | C16 | N15 | H17 | 180.0° | 179.4° |
| C16 | C17 | C12 | C11 | 179.2° | 179.7° |
| C16 | C17 | C12 | C13 | 0.4° | 0.4° |
| C17 | C16 | N15 | C14 | 0.8° | 0.4° |
| C12 | C17 | C16 | N15 | 0.6° | 0.6° |
| C17 | C12 | C11 | C13 | 179.7° | 179.9° |
| C17 | C12 | C11 | N10 | 179.5° | 180.0° |
| C17 | C12 | C13 | C14 | 0.5° | 0.0° |
| C17 | C12 | C13 | C07 | 180.0° | 179.8° |
| C12 | C17 | C16 | H17 | 179.4° | 180.0° |
| C16 | N15 | C14 | C13 | 0.9° | 0.0° |
| N15 | C16 | C17 | H1 | 179.4° | 180.0° |
| C16 | N15 | C14 | H16 | 179.1° | 180.0° |
| C12 | C11 | N10 | C08 | 0.7° | 0.3° |
| C11 | C12 | C13 | C14 | 179.2° | 180.0° |
| C11 | C12 | C13 | C07 | 0.3° | 0.2° |
| C11 | C12 | C17 | H1 | 0.8° | 0.3° |
| C12 | C11 | N18 | H29 | 31.1° | 0.0° |
| N10 | C11 | C12 | C13 | 0.8° | 0.1° |
| C11 | N10 | C08 | C07 | 0.0° | 0.3° |
| C11 | N10 | C08 | C09 | 179.3° | 179.7° |
| N10 | C11 | N18 | H29 | 148.7° | 180.0° |
| C12 | C13 | C14 | N15 | 0.8° | 0.2° |
| C12 | C13 | C14 | C07 | 179.5° | 179.8° |
| C12 | C13 | C07 | C08 | 0.3° | 0.2° |
| C12 | C13 | C07 | C06 | 179.5° | 179.8° |
| C13 | C12 | C17 | H1 | 179.6° | 179.8° |
| C12 | C13 | C14 | H16 | 179.2° | 179.8° |
| N10 | C08 | C07 | C13 | 0.4° | 0.0° |
| N10 | C08 | C07 | C09 | 179.3° | 180.0° |
| N10 | C08 | C07 | C06 | 179.4° | 180.0° |
| N10 | C08 | C09 | C04 | 179.4° | 180.0° |
| N10 | C08 | C09 | H15 | 0.6° | 0.0° |
| N15 | C14 | C13 | H16 | 180.0° | 180.0° |
| N15 | C14 | C13 | C07 | 179.8° | 180.0° |
| C14 | N15 | C16 | H17 | 179.2° | 179.8° |
| C14 | C13 | C07 | C08 | 179.7° | 180.0° |
| C14 | C13 | C07 | C06 | 0.1° | 0.0° |
| C13 | C07 | C08 | C06 | 179.8° | 180.0° |
| C13 | C07 | C08 | C09 | 179.8° | 180.0° |
| C13 | C07 | C06 | C05 | 179.8° | 180.0° |
| C13 | C07 | C06 | H14 | 0.2° | 0.0° |
| C07 | C13 | C14 | H16 | 0.2° | 0.0° |
| C07 | C08 | C09 | C04 | 0.1° | 0.0° |
| C08 | C07 | C06 | C05 | 0.0° | 0.0° |
| C08 | C07 | C06 | H14 | 180.0° | 180.0° |
| C07 | C08 | C09 | H15 | 179.9° | 180.0° |
| C09 | C08 | C07 | C06 | 0.0° | 0.0° |
| C08 | C09 | C04 | H15 | 180.0° | 180.0° |
| C08 | C09 | C04 | C05 | 0.0° | 0.0° |
| C08 | C09 | C04 | C02 | 180.0° | 179.9° |
| C07 | C06 | C05 | H14 | 180.0° | 180.0° |
| C07 | C06 | C05 | C04 | 0.0° | 0.1° |
| C07 | C06 | C05 | H13 | 180.0° | 180.0° |
| C09 | C04 | C05 | C06 | 0.0° | 0.1° |
| C09 | C04 | C05 | C02 | 179.9° | 179.9° |
| C09 | C04 | C02 | O03 | 25.9° | 0.1° |
| C09 | C04 | C02 | O01 | 152.5° | 180.0° |
| C09 | C04 | C05 | H13 | 180.0° | 180.0° |
| C06 | C05 | C04 | H13 | 180.0° | 180.0° |
| C06 | C05 | C04 | C02 | 179.9° | 180.0° |
| C05 | C04 | C02 | O03 | 154.2° | 180.0° |
| C05 | C04 | C02 | O01 | 27.4° | 0.1° |
| C04 | C05 | C06 | H14 | 180.0° | 180.0° |
| C05 | C04 | C09 | H15 | 180.0° | 179.9° |
| C04 | C02 | O03 | O01 | 178.3° | 179.9° |
| C02 | C04 | C05 | H13 | 0.0° | 0.1° |
| C02 | C04 | C09 | H15 | 0.0° | 0.0° |
| C04 | C02 | O01 | H32 | 178.2° | 180.0° |
| O03 | C02 | O01 | H32 | 0.0° | 0.1° |
| H1 | C17 | C16 | H17 | 0.6° | 0.6° |
| H2 | C20 | C21 | H4 | 138.0° | 60.0° |
| H2 | C20 | C21 | H5 | 103.8° | 180.0° |
| H2 | C20 | C19 | H18 | 147.7° | 180.0° |
| H2 | C20 | C19 | H19 | 93.1° | 60.0° |
| H3 | C20 | C21 | H4 | 104.1° | 180.0° |
| H3 | C20 | C21 | H5 | 14.0° | 60.0° |
| H3 | C20 | C19 | H18 | 29.9° | 60.0° |
| H3 | C20 | C19 | H19 | 149.1° | 180.0° |
| H4 | C21 | C22 | H6 | 11.7° | 180.0° |
| H4 | C21 | C22 | H7 | 106.5° | 60.1° |
| H5 | C21 | C22 | H6 | 106.5° | 60.0° |
| H5 | C21 | C22 | H7 | 135.3° | 180.0° |
| H6 | C22 | C23 | H20 | 122.1° | 180.0° |
| H6 | C22 | C23 | H21 | 119.9° | 59.9° |
| H7 | C22 | C23 | H20 | 3.9° | 59.9° |
| H7 | C22 | C23 | H21 | 121.9° | 180.0° |
| H8 | C24 | C23 | H20 | 128.5° | 180.0° |
| H8 | C24 | C23 | H21 | 10.4° | 60.0° |
| H8 | C24 | N25 | H30 | 131.2° | 63.9° |
| H9 | C24 | C23 | H20 | 113.6° | 60.0° |
| H9 | C24 | C23 | H21 | 128.4° | 180.0° |
| H9 | C24 | N25 | H30 | 13.2° | 176.1° |
| H10 | C26 | N25 | H30 | 148.9° | 176.1° |
| H11 | C26 | N25 | H30 | 93.5° | 64.0° |
| H12 | C28 | C29 | H22 | 1.9° | 0.2° |
| H13 | C05 | C06 | H14 | 0.0° | 0.0° |
| H18 | C19 | N18 | H29 | 126.5° | 120.0° |
| H19 | C19 | N18 | H29 | 114.3° | 120.1° |
| H24 | C35 | C36 | H25 | 0.7° | 0.1° |
| H25 | C36 | C37 | H26 | 0.0° | 0.1° |
| H26 | C37 | C38 | H27 | 0.3° | 0.0° |
| H27 | C38 | C39 | H28 | 0.2° | 0.3° |
