A1I91
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O41 | C40 | doub | 1.22Å | 1.23Å | |
| C40 | O42 | sing | 1.35Å | 1.24Å | |
| C40 | C30 | sing | 1.48Å | 1.55Å | |
| C31 | C30 | doub | 1.40Å | 1.41Å | Aromatic |
| C31 | C32 | sing | 1.36Å | 1.38Å | Aromatic |
| C30 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| C32 | C33 | doub | 1.40Å | 1.42Å | Aromatic |
| C29 | C28 | doub | 1.40Å | 1.43Å | Aromatic |
| C33 | C28 | sing | 1.41Å | 1.41Å | Aromatic |
| C33 | C34 | sing | 1.47Å | 1.46Å | Aromatic |
| C39 | C34 | doub | 1.39Å | 1.44Å | Aromatic |
| C39 | N38 | sing | 1.32Å | 1.35Å | Aromatic |
| C28 | N27 | sing | 1.35Å | 1.44Å | Aromatic |
| C34 | C35 | sing | 1.42Å | 1.43Å | Aromatic |
| N38 | C37 | doub | 1.32Å | 1.38Å | Aromatic |
| N27 | C26 | doub | 1.31Å | 1.34Å | Aromatic |
| C35 | C26 | sing | 1.46Å | 1.48Å | Aromatic |
| C35 | C36 | doub | 1.40Å | 1.42Å | Aromatic |
| C37 | C36 | sing | 1.37Å | 1.40Å | Aromatic |
| C26 | N25 | sing | 1.38Å | 1.44Å | |
| N25 | C24 | sing | 1.46Å | 1.46Å | |
| CL13 | C11 | sing | 1.74Å | 1.73Å | |
| C24 | C23 | sing | 1.53Å | 1.57Å | |
| C23 | C22 | sing | 1.53Å | 1.56Å | |
| C22 | C21 | sing | 1.53Å | 1.55Å | |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| N20 | C21 | sing | 1.47Å | 1.49Å | |
| N20 | C02 | sing | 1.35Å | 1.38Å | |
| C19 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C03 | C02 | sing | 1.51Å | 1.48Å | |
| C03 | C04 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.39Å | 1.42Å | Aromatic |
| C14 | C10 | sing | 1.48Å | 1.50Å | |
| C12 | C07 | sing | 1.38Å | 1.36Å | Aromatic |
| C02 | O01 | doub | 1.21Å | 1.26Å | |
| N05 | C04 | sing | 1.47Å | 1.44Å | |
| N05 | C06 | sing | 1.47Å | 1.45Å | |
| C10 | C09 | doub | 1.39Å | 1.41Å | Aromatic |
| C07 | C06 | sing | 1.51Å | 1.50Å | |
| C07 | C08 | doub | 1.38Å | 1.41Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | 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 | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| C06 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.08Å | 1.08Å | |
| C09 | H16 | sing | 1.08Å | 1.08Å | |
| C12 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.08Å | 1.08Å | |
| C31 | H24 | sing | 1.08Å | 1.08Å | |
| C32 | H25 | sing | 1.08Å | 1.08Å | |
| C36 | H26 | sing | 1.08Å | 1.08Å | |
| C37 | H27 | sing | 1.08Å | 1.08Å | |
| C39 | H28 | sing | 1.08Å | 1.08Å | |
| N05 | H29 | sing | 1.01Å | 1.00Å | |
| N20 | H31 | sing | 0.97Å | 1.00Å | |
| N25 | H32 | sing | 0.97Å | 1.00Å | |
| O42 | H33 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O41 | C40 | O42 | 127.5° | 120.0° |
| O41 | C40 | C30 | 118.6° | 120.0° |
| O42 | C40 | C30 | 113.9° | 120.0° |
| C40 | O42 | H33 | 109.5° | 117.0° |
| C40 | C30 | C31 | 119.5° | 119.8° |
| C40 | C30 | C29 | 122.7° | 119.8° |
| C30 | C31 | C32 | 120.6° | 120.4° |
| C31 | C30 | C29 | 117.8° | 120.4° |
| C30 | C31 | H24 | 119.7° | 119.8° |
| C31 | C32 | C33 | 122.4° | 120.2° |
| C32 | C31 | H24 | 119.7° | 119.8° |
| C31 | C32 | H25 | 118.8° | 120.0° |
| C30 | C29 | C28 | 122.7° | 119.8° |
| C30 | C29 | H23 | 118.7° | 120.1° |
| C32 | C33 | C28 | 117.6° | 120.3° |
| C32 | C33 | C34 | 125.2° | 121.2° |
| C33 | C32 | H25 | 118.8° | 119.9° |
| C29 | C28 | C33 | 118.8° | 118.9° |
| C29 | C28 | N27 | 120.1° | 120.0° |
| C28 | C29 | H23 | 118.7° | 120.1° |
| C28 | C33 | C34 | 117.2° | 118.5° |
| C33 | C28 | N27 | 121.1° | 121.1° |
| C33 | C34 | C39 | 122.0° | 123.3° |
| C33 | C34 | C35 | 121.5° | 117.6° |
| C34 | C39 | N38 | 125.5° | 119.8° |
| C39 | C34 | C35 | 116.6° | 119.0° |
| C34 | C39 | H28 | 117.2° | 120.1° |
| C39 | N38 | C37 | 116.6° | 122.6° |
| N38 | C39 | H28 | 117.3° | 120.2° |
| C28 | N27 | C26 | 122.0° | 123.4° |
| C34 | C35 | C26 | 117.7° | 118.8° |
| C34 | C35 | C36 | 118.2° | 118.3° |
| N38 | C37 | C36 | 123.0° | 121.8° |
| N38 | C37 | H27 | 118.5° | 119.1° |
| N27 | C26 | C35 | 120.6° | 120.6° |
| N27 | C26 | N25 | 120.5° | 119.7° |
| C26 | C35 | C36 | 124.1° | 122.9° |
| C35 | C26 | N25 | 118.9° | 119.8° |
| C35 | C36 | C37 | 120.2° | 118.6° |
| C35 | C36 | H26 | 119.9° | 120.7° |
| C37 | C36 | H26 | 119.9° | 120.7° |
| C36 | C37 | H27 | 118.5° | 119.2° |
| C26 | N25 | C24 | 126.1° | 120.0° |
| C26 | N25 | H32 | 105.2° | 119.9° |
| N25 | C24 | C23 | 116.2° | 109.5° |
| N25 | C24 | H7 | 107.8° | 109.5° |
| N25 | C24 | H8 | 107.8° | 109.5° |
| C24 | N25 | H32 | 105.2° | 120.0° |
| CL13 | C11 | C12 | 118.2° | 120.1° |
| CL13 | C11 | C10 | 116.2° | 120.1° |
| C24 | C23 | C22 | 115.6° | 109.5° |
| C23 | C24 | H7 | 107.8° | 109.5° |
| C23 | C24 | H8 | 107.7° | 109.4° |
| C24 | C23 | H21 | 107.9° | 109.5° |
| C24 | C23 | H22 | 107.9° | 109.4° |
| C23 | C22 | C21 | 115.6° | 109.5° |
| C23 | C22 | H5 | 107.9° | 109.4° |
| C23 | C22 | H6 | 107.9° | 109.5° |
| C22 | C23 | H21 | 107.9° | 109.5° |
| C22 | C23 | H22 | 107.9° | 109.5° |
| C22 | C21 | N20 | 114.2° | 109.5° |
| C22 | C21 | H3 | 108.3° | 109.5° |
| C22 | C21 | H4 | 108.3° | 109.4° |
| C21 | C22 | H5 | 107.9° | 109.5° |
| C21 | C22 | H6 | 107.9° | 109.5° |
| C18 | C17 | C16 | 118.8° | 120.2° |
| C17 | C18 | C19 | 121.7° | 120.1° |
| C18 | C17 | H2 | 120.6° | 119.9° |
| C17 | C18 | H19 | 119.2° | 119.9° |
| C17 | C16 | C15 | 119.5° | 120.2° |
| C16 | C17 | H2 | 120.6° | 119.9° |
| C17 | C16 | H18 | 120.2° | 119.9° |
| C18 | C19 | C14 | 120.7° | 119.9° |
| C19 | C18 | H19 | 119.1° | 120.0° |
| C18 | C19 | H20 | 119.7° | 120.0° |
| C16 | C15 | C14 | 122.7° | 119.8° |
| C16 | C15 | H1 | 118.7° | 120.1° |
| C15 | C16 | H18 | 120.2° | 119.9° |
| C21 | N20 | C02 | 123.7° | 120.0° |
| N20 | C21 | H3 | 108.3° | 109.5° |
| N20 | C21 | H4 | 108.3° | 109.5° |
| C21 | N20 | H31 | 118.1° | 120.0° |
| N20 | C02 | C03 | 126.3° | 120.0° |
| N20 | C02 | O01 | 115.0° | 120.1° |
| C02 | N20 | H31 | 118.2° | 120.1° |
| C19 | C14 | C15 | 116.6° | 119.7° |
| C19 | C14 | C10 | 122.2° | 120.2° |
| C14 | C19 | H20 | 119.6° | 120.1° |
| C12 | C11 | C10 | 125.6° | 119.8° |
| C11 | C12 | C07 | 121.2° | 120.1° |
| C11 | C12 | H17 | 119.4° | 119.9° |
| C11 | C10 | C14 | 121.1° | 120.2° |
| C11 | C10 | C09 | 113.9° | 119.7° |
| C02 | C03 | C04 | 120.3° | 109.5° |
| C03 | C02 | O01 | 118.7° | 120.0° |
| C02 | C03 | H9 | 106.7° | 109.4° |
| C02 | C03 | H10 | 106.7° | 109.4° |
| C03 | C04 | N05 | 110.6° | 109.4° |
| C04 | C03 | H9 | 106.7° | 109.5° |
| C04 | C03 | H10 | 106.7° | 109.5° |
| C03 | C04 | H11 | 109.2° | 109.5° |
| C03 | C04 | H12 | 109.2° | 109.5° |
| C15 | C14 | C10 | 121.2° | 120.1° |
| C14 | C15 | H1 | 118.6° | 120.1° |
| C14 | C10 | C09 | 125.0° | 120.1° |
| C12 | C07 | C06 | 119.3° | 119.9° |
| C12 | C07 | C08 | 115.7° | 120.3° |
| C07 | C12 | H17 | 119.4° | 119.9° |
| C04 | N05 | C06 | 117.1° | 111.0° |
| N05 | C04 | H11 | 109.2° | 109.5° |
| N05 | C04 | H12 | 109.2° | 109.5° |
| C04 | N05 | H29 | 107.6° | 111.0° |
| N05 | C06 | C07 | 113.6° | 109.5° |
| N05 | C06 | H13 | 108.4° | 109.5° |
| N05 | C06 | H14 | 108.5° | 109.5° |
| C06 | N05 | H29 | 107.5° | 111.0° |
| C10 | C09 | C08 | 121.3° | 119.9° |
| C10 | C09 | H16 | 119.4° | 120.0° |
| C06 | C07 | C08 | 125.0° | 119.9° |
| C07 | C06 | H13 | 108.4° | 109.5° |
| C07 | C06 | H14 | 108.4° | 109.5° |
| C07 | C08 | C09 | 122.4° | 120.1° |
| C07 | C08 | H15 | 118.8° | 120.0° |
| C09 | C08 | H15 | 118.8° | 119.9° |
| C08 | C09 | H16 | 119.4° | 120.1° |
| H3 | C21 | H4 | 109.5° | 109.5° |
| H5 | C22 | H6 | 109.4° | 109.4° |
| H7 | C24 | H8 | 109.5° | 109.4° |
| H9 | C03 | H10 | 109.4° | 109.4° |
| H11 | C04 | H12 | 109.5° | 109.5° |
| H13 | C06 | H14 | 109.5° | 109.4° |
| H21 | C23 | H22 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O41 | C40 | O42 | C30 | 177.0° | 180.0° |
| O41 | C40 | C30 | C31 | 9.1° | 179.9° |
| O41 | C40 | C30 | C29 | 169.4° | 0.0° |
| O41 | C40 | O42 | H33 | 0.0° | 0.0° |
| O42 | C40 | C30 | C31 | 173.6° | 0.1° |
| O42 | C40 | C30 | C29 | 7.9° | 180.0° |
| C40 | C30 | C31 | C29 | 178.6° | 179.9° |
| C40 | C30 | C31 | C32 | 179.0° | 180.0° |
| C40 | C30 | C29 | C28 | 178.7° | 179.9° |
| C40 | C30 | C29 | H23 | 1.3° | 0.0° |
| C40 | C30 | C31 | H24 | 1.0° | 0.0° |
| C30 | C40 | O42 | H33 | 177.0° | 180.0° |
| C30 | C31 | C32 | H24 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.4° | 0.0° |
| C31 | C30 | C29 | C28 | 0.2° | 0.0° |
| C31 | C30 | C29 | H23 | 179.8° | 179.9° |
| C30 | C31 | C32 | H25 | 179.6° | 180.0° |
| C32 | C31 | C30 | C29 | 0.5° | 0.0° |
| C31 | C32 | C33 | H25 | 180.0° | 180.0° |
| C31 | C32 | C33 | C28 | 0.1° | 0.0° |
| C31 | C32 | C33 | C34 | 179.8° | 179.7° |
| C30 | C29 | C28 | H23 | 180.0° | 179.9° |
| C30 | C29 | C28 | C33 | 0.1° | 0.0° |
| C30 | C29 | C28 | N27 | 179.9° | 180.0° |
| C29 | C30 | C31 | H24 | 179.5° | 180.0° |
| C32 | C33 | C28 | C29 | 0.2° | 0.0° |
| C32 | C33 | C28 | C34 | 179.9° | 179.7° |
| C32 | C33 | C34 | C39 | 0.1° | 0.0° |
| C32 | C33 | C28 | N27 | 179.8° | 180.0° |
| C32 | C33 | C34 | C35 | 179.8° | 180.0° |
| C33 | C32 | C31 | H24 | 179.6° | 180.0° |
| C29 | C28 | C33 | N27 | 180.0° | 180.0° |
| C29 | C28 | C33 | C34 | 179.9° | 179.7° |
| C29 | C28 | N27 | C26 | 180.0° | 180.0° |
| C28 | C33 | C34 | C39 | 179.8° | 179.7° |
| C28 | C33 | C34 | C35 | 0.1° | 0.3° |
| C33 | C28 | N27 | C26 | 0.1° | 0.0° |
| C33 | C28 | C29 | H23 | 179.9° | 180.0° |
| C28 | C33 | C32 | H25 | 179.9° | 180.0° |
| C33 | C34 | C39 | C35 | 179.7° | 180.0° |
| C33 | C34 | C39 | N38 | 180.0° | 180.0° |
| C34 | C33 | C28 | N27 | 0.1° | 0.4° |
| C33 | C34 | C35 | C26 | 0.0° | 0.1° |
| C33 | C34 | C35 | C36 | 179.7° | 180.0° |
| C34 | C33 | C32 | H25 | 0.2° | 0.4° |
| C33 | C34 | C39 | H28 | 0.1° | 0.0° |
| C34 | C39 | N38 | H28 | 180.0° | 179.9° |
| C34 | C39 | N38 | C37 | 0.0° | 0.1° |
| C39 | C34 | C35 | C26 | 179.7° | 180.0° |
| C39 | C34 | C35 | C36 | 0.6° | 0.1° |
| N38 | C39 | C34 | C35 | 0.3° | 0.1° |
| C39 | N38 | C37 | C36 | 0.1° | 0.1° |
| C39 | N38 | C37 | H27 | 179.9° | 180.0° |
| C28 | N27 | C26 | C35 | 0.2° | 0.3° |
| C28 | N27 | C26 | N25 | 179.6° | 180.0° |
| N27 | C28 | C29 | H23 | 0.1° | 0.0° |
| C34 | C35 | C26 | N27 | 0.2° | 0.3° |
| C34 | C35 | C26 | C36 | 179.6° | 179.9° |
| C34 | C35 | C36 | C37 | 0.6° | 0.1° |
| C34 | C35 | C26 | N25 | 179.6° | 180.0° |
| C34 | C35 | C36 | H26 | 179.4° | 180.0° |
| C35 | C34 | C39 | H28 | 179.6° | 180.0° |
| N38 | C37 | C36 | C35 | 0.2° | 0.1° |
| N38 | C37 | C36 | H27 | 180.0° | 179.9° |
| N38 | C37 | C36 | H26 | 179.8° | 180.0° |
| C37 | N38 | C39 | H28 | 180.0° | 180.0° |
| N27 | C26 | C35 | N25 | 179.4° | 179.7° |
| N27 | C26 | C35 | C36 | 179.5° | 179.7° |
| N27 | C26 | N25 | C24 | 9.8° | 0.3° |
| N27 | C26 | N25 | H32 | 132.1° | 179.7° |
| C26 | C35 | C36 | C37 | 179.8° | 180.0° |
| C35 | C26 | N25 | C24 | 169.6° | 180.0° |
| C26 | C35 | C36 | H26 | 0.3° | 0.1° |
| C35 | C26 | N25 | H32 | 47.3° | 0.0° |
| C35 | C36 | C37 | H26 | 180.0° | 179.9° |
| C36 | C35 | C26 | N25 | 0.1° | 0.1° |
| C35 | C36 | C37 | H27 | 179.8° | 180.0° |
| C26 | N25 | C24 | H32 | 122.2° | 180.0° |
| C26 | N25 | C24 | C23 | 76.2° | 180.0° |
| C26 | N25 | C24 | H7 | 44.8° | 59.9° |
| C26 | N25 | C24 | H8 | 162.9° | 60.0° |
| N25 | C24 | C23 | H7 | 121.0° | 120.1° |
| N25 | C24 | C23 | H8 | 121.0° | 120.0° |
| N25 | C24 | C23 | C22 | 20.1° | 179.9° |
| N25 | C24 | H7 | H8 | 116.9° | 120.0° |
| N25 | C24 | C23 | H21 | 100.8° | 60.0° |
| N25 | C24 | C23 | H22 | 141.0° | 60.0° |
| CL13 | C11 | C12 | C10 | 179.1° | 180.0° |
| CL13 | C11 | C10 | C14 | 1.3° | 0.3° |
| CL13 | C11 | C12 | C07 | 179.9° | 180.0° |
| CL13 | C11 | C10 | C09 | 179.9° | 179.9° |
| CL13 | C11 | C12 | H17 | 0.1° | 0.0° |
| C24 | C23 | C22 | H21 | 120.9° | 120.0° |
| C24 | C23 | C22 | H22 | 120.9° | 120.0° |
| C24 | C23 | C22 | C21 | 135.4° | 180.0° |
| C24 | C23 | C22 | H5 | 14.5° | 60.0° |
| C24 | C23 | C22 | H6 | 103.7° | 60.0° |
| C23 | C24 | H7 | H8 | 116.9° | 119.9° |
| C24 | C23 | H21 | H22 | 117.2° | 120.0° |
| C23 | C24 | N25 | H32 | 161.6° | 0.0° |
| C23 | C22 | C21 | H5 | 120.9° | 119.9° |
| C23 | C22 | C21 | H6 | 120.9° | 120.0° |
| C23 | C22 | C21 | N20 | 155.2° | 180.0° |
| C23 | C22 | C21 | H3 | 34.5° | 60.0° |
| C23 | C22 | C21 | H4 | 84.1° | 60.0° |
| C23 | C22 | H5 | H6 | 117.2° | 119.9° |
| C22 | C23 | C24 | H7 | 141.0° | 60.0° |
| C22 | C23 | C24 | H8 | 100.9° | 60.0° |
| C22 | C23 | H21 | H22 | 117.2° | 120.0° |
| C22 | C21 | N20 | H3 | 120.7° | 120.0° |
| C22 | C21 | N20 | H4 | 120.7° | 120.0° |
| C22 | C21 | N20 | C02 | 104.4° | 180.0° |
| C22 | C21 | H3 | H4 | 117.8° | 120.0° |
| C21 | C22 | H5 | H6 | 117.2° | 120.1° |
| C21 | C22 | C23 | H21 | 103.7° | 60.0° |
| C21 | C22 | C23 | H22 | 14.5° | 60.0° |
| C22 | C21 | N20 | H31 | 75.6° | 0.0° |
| C18 | C17 | C16 | H2 | 180.0° | 179.2° |
| C17 | C18 | C19 | H19 | 180.0° | 179.1° |
| C18 | C17 | C16 | C15 | 0.3° | 0.6° |
| C17 | C18 | C19 | C14 | 0.7° | 0.6° |
| C18 | C17 | C16 | H18 | 179.7° | 179.5° |
| C17 | C18 | C19 | H20 | 179.3° | 180.0° |
| C16 | C17 | C18 | C19 | 0.4° | 0.8° |
| C17 | C16 | C15 | H18 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.6° | 0.0° |
| C17 | C16 | C15 | H1 | 179.4° | 179.7° |
| C16 | C17 | C18 | H19 | 179.6° | 180.0° |
| C18 | C19 | C14 | H20 | 180.0° | 179.5° |
| C18 | C19 | C14 | C15 | 0.9° | 0.0° |
| C18 | C19 | C14 | C10 | 179.9° | 180.0° |
| C19 | C18 | C17 | H2 | 179.6° | 180.0° |
| C16 | C15 | C14 | C19 | 0.8° | 0.3° |
| C16 | C15 | C14 | H1 | 180.0° | 179.8° |
| C16 | C15 | C14 | C10 | 179.8° | 179.8° |
| C15 | C16 | C17 | H2 | 179.7° | 179.8° |
| C21 | N20 | C02 | H31 | 180.0° | 180.0° |
| C21 | N20 | C02 | C03 | 179.2° | 180.0° |
| C21 | N20 | C02 | O01 | 0.3° | 0.0° |
| N20 | C21 | H3 | H4 | 117.9° | 120.0° |
| N20 | C21 | C22 | H5 | 83.9° | 60.1° |
| N20 | C21 | C22 | H6 | 34.3° | 60.0° |
| N20 | C02 | C03 | O01 | 179.4° | 180.0° |
| N20 | C02 | C03 | C04 | 168.6° | 180.0° |
| C02 | N20 | C21 | H3 | 134.9° | 60.0° |
| C02 | N20 | C21 | H4 | 16.3° | 60.0° |
| N20 | C02 | C03 | H9 | 69.8° | 60.0° |
| N20 | C02 | C03 | H10 | 47.1° | 60.0° |
| C19 | C14 | C10 | C11 | 105.3° | 129.7° |
| C19 | C14 | C15 | C10 | 179.0° | 180.0° |
| C19 | C14 | C10 | C09 | 76.3° | 50.0° |
| C19 | C14 | C15 | H1 | 179.1° | 180.0° |
| C14 | C19 | C18 | H19 | 179.3° | 179.7° |
| C12 | C11 | C10 | C14 | 179.6° | 179.7° |
| C11 | C12 | C07 | H17 | 180.0° | 180.0° |
| C12 | C11 | C10 | C09 | 1.0° | 0.1° |
| C11 | C12 | C07 | C06 | 179.8° | 180.0° |
| C11 | C12 | C07 | C08 | 0.3° | 0.0° |
| C11 | C10 | C14 | C15 | 73.6° | 50.3° |
| C11 | C10 | C14 | C09 | 178.4° | 179.6° |
| C10 | C11 | C12 | C07 | 1.0° | 0.0° |
| C11 | C10 | C09 | C08 | 0.4° | 0.1° |
| C11 | C10 | C09 | H16 | 179.6° | 180.0° |
| C10 | C11 | C12 | H17 | 179.0° | 180.0° |
| C02 | C03 | C04 | H9 | 121.5° | 120.0° |
| C02 | C03 | C04 | H10 | 121.5° | 120.0° |
| C02 | C03 | C04 | N05 | 166.3° | 180.0° |
| C02 | C03 | H9 | H10 | 115.1° | 119.9° |
| C02 | C03 | C04 | H11 | 46.2° | 60.0° |
| C02 | C03 | C04 | H12 | 73.5° | 60.0° |
| C03 | C02 | N20 | H31 | 0.8° | 0.0° |
| C04 | C03 | C02 | O01 | 12.0° | 0.0° |
| C03 | C04 | N05 | H11 | 120.2° | 120.0° |
| C03 | C04 | N05 | H12 | 120.1° | 120.0° |
| C03 | C04 | N05 | C06 | 138.0° | 180.0° |
| C04 | C03 | H9 | H10 | 115.1° | 120.1° |
| C03 | C04 | H11 | H12 | 119.5° | 120.0° |
| C03 | C04 | N05 | H29 | 101.0° | 56.0° |
| C15 | C14 | C10 | C09 | 104.8° | 130.1° |
| C14 | C15 | C16 | H18 | 179.4° | 180.0° |
| C15 | C14 | C19 | H20 | 179.1° | 179.5° |
| C14 | C10 | C09 | C08 | 178.9° | 179.7° |
| C10 | C14 | C15 | H1 | 0.1° | 0.0° |
| C14 | C10 | C09 | H16 | 1.0° | 0.4° |
| C10 | C14 | C19 | H20 | 0.1° | 0.5° |
| C12 | C07 | C06 | N05 | 27.1° | 90.0° |
| C12 | C07 | C06 | C08 | 179.9° | 180.0° |
| C12 | C07 | C08 | C09 | 0.2° | 0.1° |
| C12 | C07 | C06 | H13 | 93.5° | 30.0° |
| C12 | C07 | C06 | H14 | 147.7° | 150.0° |
| C12 | C07 | C08 | H15 | 179.8° | 180.0° |
| O01 | C02 | C03 | H9 | 109.6° | 120.0° |
| O01 | C02 | C03 | H10 | 133.5° | 120.0° |
| O01 | C02 | N20 | H31 | 179.8° | 180.0° |
| C04 | N05 | C06 | H29 | 121.1° | 124.0° |
| C04 | N05 | C06 | C07 | 159.5° | 180.0° |
| N05 | C04 | C03 | H9 | 72.1° | 60.0° |
| N05 | C04 | C03 | H10 | 44.8° | 60.0° |
| N05 | C04 | H11 | H12 | 119.5° | 120.0° |
| C04 | N05 | C06 | H13 | 79.9° | 60.0° |
| C04 | N05 | C06 | H14 | 38.9° | 60.0° |
| N05 | C06 | C07 | H13 | 120.6° | 120.0° |
| N05 | C06 | C07 | H14 | 120.6° | 120.0° |
| N05 | C06 | C07 | C08 | 152.8° | 90.0° |
| C06 | N05 | C04 | H11 | 17.8° | 60.0° |
| C06 | N05 | C04 | H12 | 101.9° | 60.0° |
| N05 | C06 | H13 | H14 | 118.1° | 120.0° |
| C10 | C09 | C08 | C07 | 0.2° | 0.1° |
| C10 | C09 | C08 | H16 | 180.0° | 179.9° |
| C10 | C09 | C08 | H15 | 179.8° | 180.0° |
| C06 | C07 | C08 | C09 | 179.7° | 180.0° |
| C07 | C06 | H13 | H14 | 118.1° | 120.0° |
| C06 | C07 | C08 | H15 | 0.3° | 0.1° |
| C06 | C07 | C12 | H17 | 0.2° | 0.0° |
| C07 | C06 | N05 | H29 | 38.4° | 56.1° |
| C07 | C08 | C09 | H15 | 180.0° | 179.9° |
| C08 | C07 | C06 | H13 | 86.6° | 150.0° |
| C08 | C07 | C06 | H14 | 32.1° | 30.0° |
| C07 | C08 | C09 | H16 | 179.9° | 180.0° |
| C08 | C07 | C12 | H17 | 179.7° | 180.0° |
| H1 | C15 | C16 | H18 | 0.6° | 0.2° |
| H2 | C17 | C16 | H18 | 0.3° | 0.3° |
| H2 | C17 | C18 | H19 | 0.4° | 0.9° |
| H3 | C21 | C22 | H5 | 155.4° | 60.0° |
| H3 | C21 | C22 | H6 | 86.4° | 180.0° |
| H3 | C21 | N20 | H31 | 45.1° | 120.0° |
| H4 | C21 | C22 | H5 | 36.8° | 180.0° |
| H4 | C21 | C22 | H6 | 155.0° | 60.0° |
| H4 | C21 | N20 | H31 | 163.8° | 120.0° |
| H5 | C22 | C23 | H21 | 135.4° | 180.0° |
| H5 | C22 | C23 | H22 | 106.4° | 60.0° |
| H6 | C22 | C23 | H21 | 17.2° | 60.0° |
| H6 | C22 | C23 | H22 | 135.4° | 179.9° |
| H7 | C24 | C23 | H21 | 20.1° | 180.0° |
| H7 | C24 | C23 | H22 | 98.0° | 60.1° |
| H7 | C24 | N25 | H32 | 77.4° | 120.0° |
| H8 | C24 | C23 | H21 | 138.2° | 60.0° |
| H8 | C24 | C23 | H22 | 20.0° | 180.0° |
| H8 | C24 | N25 | H32 | 40.6° | 120.0° |
| H9 | C03 | C04 | H11 | 167.7° | 180.0° |
| H9 | C03 | C04 | H12 | 48.0° | 60.0° |
| H10 | C03 | C04 | H11 | 75.3° | 60.0° |
| H10 | C03 | C04 | H12 | 165.0° | 180.0° |
| H11 | C04 | N05 | H29 | 138.9° | 176.0° |
| H12 | C04 | N05 | H29 | 19.2° | 63.9° |
| H13 | C06 | N05 | H29 | 159.0° | 64.0° |
| H14 | C06 | N05 | H29 | 82.2° | 176.0° |
| H15 | C08 | C09 | H16 | 0.1° | 0.1° |
| H19 | C18 | C19 | H20 | 0.7° | 0.8° |
| H24 | C31 | C32 | H25 | 0.4° | 0.0° |
| H26 | C36 | C37 | H27 | 0.2° | 0.1° |
