9EJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C11 | sing | 1.53Å | 1.55Å | |
| C14 | C17 | sing | 1.53Å | 1.52Å | |
| C14 | N12 | sing | 1.47Å | 1.48Å | |
| C37 | C38 | doub | 1.34Å | 1.37Å | Aromatic |
| C37 | C36 | sing | 1.38Å | 1.43Å | Aromatic |
| C38 | S39 | sing | 1.76Å | 1.71Å | Aromatic |
| C15 | N12 | sing | 1.47Å | 1.47Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| N12 | C11 | sing | 1.47Å | 1.49Å | |
| C11 | C10 | sing | 1.53Å | 1.55Å | |
| C36 | C35 | doub | 1.35Å | 1.38Å | Aromatic |
| S39 | C35 | sing | 1.76Å | 1.73Å | Aromatic |
| C10 | N08 | sing | 1.46Å | 1.46Å | |
| C35 | C33 | sing | 1.47Å | 1.46Å | |
| N08 | C07 | sing | 1.35Å | 1.38Å | |
| C33 | C32 | sing | 1.41Å | 1.50Å | Aromatic |
| C33 | N34 | doub | 1.33Å | 1.30Å | Aromatic |
| O09 | C07 | doub | 1.22Å | 1.23Å | |
| C07 | C02 | sing | 1.48Å | 1.48Å | |
| C32 | C31 | doub | 1.35Å | 1.34Å | Aromatic |
| N34 | C30 | sing | 1.33Å | 1.36Å | Aromatic |
| C02 | C01 | doub | 1.40Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.40Å | 1.40Å | Aromatic |
| C01 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
| C31 | N29 | sing | 1.37Å | 1.39Å | Aromatic |
| C30 | N29 | sing | 1.37Å | 1.39Å | Aromatic |
| C30 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| C03 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| N29 | N28 | sing | 1.40Å | 1.36Å | Aromatic |
| C06 | C18 | sing | 1.48Å | 1.45Å | |
| C06 | N05 | doub | 1.33Å | 1.35Å | Aromatic |
| C18 | C27 | sing | 1.40Å | 1.41Å | Aromatic |
| C26 | N25 | sing | 1.47Å | 1.44Å | |
| O24 | C23 | doub | 1.21Å | 1.23Å | |
| C04 | N05 | sing | 1.32Å | 1.36Å | Aromatic |
| C04 | N19 | sing | 1.39Å | 1.40Å | |
| N28 | C27 | doub | 1.31Å | 1.33Å | Aromatic |
| N25 | C23 | sing | 1.35Å | 1.39Å | |
| C23 | C22 | sing | 1.51Å | 1.56Å | |
| N19 | C22 | sing | 1.48Å | 1.43Å | |
| N19 | C20 | sing | 1.48Å | 1.42Å | |
| C22 | C21 | sing | 1.54Å | 1.54Å | |
| C20 | C21 | sing | 1.54Å | 1.53Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C01 | H20 | sing | 1.08Å | 1.08Å | |
| C03 | H21 | sing | 1.08Å | 1.08Å | |
| N08 | H22 | sing | 0.97Å | 1.00Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| N25 | H29 | sing | 0.97Å | 1.00Å | |
| C27 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C36 | H33 | sing | 1.08Å | 1.08Å | |
| C37 | H34 | sing | 1.08Å | 1.08Å | |
| C38 | H35 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C11 | N12 | 110.0° | 109.5° |
| C13 | C11 | C10 | 109.2° | 109.5° |
| C11 | C13 | H4 | 109.5° | 109.5° |
| C11 | C13 | H5 | 109.5° | 109.5° |
| C11 | C13 | H6 | 109.4° | 109.5° |
| C13 | C11 | H23 | 107.5° | 109.5° |
| C17 | C14 | N12 | 110.4° | 109.5° |
| C14 | C17 | H9 | 109.5° | 109.4° |
| C14 | C17 | H10 | 109.5° | 109.5° |
| C14 | C17 | H11 | 109.5° | 109.4° |
| C17 | C14 | H24 | 109.2° | 109.5° |
| C17 | C14 | H25 | 109.3° | 109.5° |
| C14 | N12 | C15 | 112.3° | 111.0° |
| C14 | N12 | C11 | 111.4° | 111.0° |
| N12 | C14 | H24 | 109.2° | 109.4° |
| N12 | C14 | H25 | 109.3° | 109.5° |
| C38 | C37 | C36 | 112.1° | 115.1° |
| C37 | C38 | S39 | 111.9° | 109.7° |
| C38 | C37 | H34 | 124.0° | 122.4° |
| C37 | C38 | H35 | 124.0° | 125.1° |
| C37 | C36 | C35 | 112.9° | 114.7° |
| C37 | C36 | H33 | 123.5° | 122.7° |
| C36 | C37 | H34 | 123.9° | 122.4° |
| C38 | S39 | C35 | 92.6° | 91.0° |
| S39 | C38 | H35 | 124.0° | 125.2° |
| N12 | C15 | C16 | 114.7° | 109.5° |
| C15 | N12 | C11 | 115.1° | 111.0° |
| N12 | C15 | H7 | 108.2° | 109.5° |
| N12 | C15 | H8 | 108.2° | 109.4° |
| C16 | C15 | H7 | 108.1° | 109.5° |
| C16 | C15 | H8 | 108.1° | 109.5° |
| C15 | C16 | H26 | 109.5° | 109.5° |
| C15 | C16 | H27 | 109.5° | 109.5° |
| C15 | C16 | H28 | 109.5° | 109.5° |
| N12 | C11 | C10 | 114.2° | 109.5° |
| N12 | C11 | H23 | 108.1° | 109.5° |
| C11 | C10 | N08 | 110.9° | 109.5° |
| C11 | C10 | H1 | 109.1° | 109.4° |
| C11 | C10 | H2 | 109.1° | 109.5° |
| C10 | C11 | H23 | 107.4° | 109.5° |
| C36 | C35 | S39 | 110.4° | 109.4° |
| C36 | C35 | C33 | 130.1° | 125.3° |
| C35 | C36 | H33 | 123.6° | 122.7° |
| S39 | C35 | C33 | 119.4° | 125.3° |
| C10 | N08 | C07 | 123.1° | 120.0° |
| N08 | C10 | H1 | 109.1° | 109.5° |
| N08 | C10 | H2 | 109.1° | 109.5° |
| C10 | N08 | H22 | 118.4° | 120.0° |
| C35 | C33 | C32 | 118.3° | 120.1° |
| C35 | C33 | N34 | 118.5° | 120.0° |
| N08 | C07 | O09 | 125.1° | 120.0° |
| N08 | C07 | C02 | 115.7° | 120.0° |
| C07 | N08 | H22 | 118.4° | 120.0° |
| C32 | C33 | N34 | 123.2° | 119.9° |
| C33 | C32 | C31 | 115.9° | 119.3° |
| C33 | C32 | H32 | 122.0° | 120.4° |
| C33 | N34 | C30 | 118.8° | 120.7° |
| O09 | C07 | C02 | 119.2° | 120.0° |
| C07 | C02 | C01 | 120.7° | 120.8° |
| C07 | C02 | C03 | 119.5° | 120.8° |
| C32 | C31 | N29 | 120.6° | 119.3° |
| C32 | C31 | H31 | 119.7° | 120.4° |
| C31 | C32 | H32 | 122.1° | 120.3° |
| N34 | C30 | N29 | 120.8° | 120.9° |
| N34 | C30 | C18 | 132.8° | 132.4° |
| C01 | C02 | C03 | 119.8° | 118.4° |
| C02 | C01 | C06 | 118.5° | 119.1° |
| C02 | C01 | H20 | 120.8° | 120.5° |
| C02 | C03 | C04 | 119.0° | 119.2° |
| C02 | C03 | H21 | 120.5° | 120.4° |
| C01 | C06 | C18 | 123.0° | 119.7° |
| C01 | C06 | N05 | 122.2° | 120.7° |
| C06 | C01 | H20 | 120.8° | 120.4° |
| C31 | N29 | C30 | 120.8° | 119.9° |
| C31 | N29 | N28 | 127.5° | 132.1° |
| N29 | C31 | H31 | 119.7° | 120.3° |
| N29 | C30 | C18 | 106.5° | 106.8° |
| C30 | N29 | N28 | 111.8° | 107.9° |
| C30 | C18 | C06 | 127.0° | 126.5° |
| C30 | C18 | C27 | 104.0° | 107.1° |
| C03 | C04 | N05 | 121.0° | 120.9° |
| C03 | C04 | N19 | 120.9° | 119.5° |
| C04 | C03 | H21 | 120.5° | 120.4° |
| N29 | N28 | C27 | 104.4° | 109.3° |
| C18 | C06 | N05 | 114.9° | 119.6° |
| C06 | C18 | C27 | 129.1° | 126.4° |
| C06 | N05 | C04 | 119.6° | 121.8° |
| C18 | C27 | N28 | 113.4° | 108.9° |
| C18 | C27 | H30 | 123.3° | 125.6° |
| C26 | N25 | C23 | 122.2° | 120.0° |
| N25 | C26 | H17 | 109.5° | 109.5° |
| N25 | C26 | H18 | 109.5° | 109.4° |
| N25 | C26 | H19 | 109.5° | 109.5° |
| C26 | N25 | H29 | 118.9° | 120.0° |
| O24 | C23 | N25 | 122.7° | 120.0° |
| O24 | C23 | C22 | 124.6° | 120.0° |
| N05 | C04 | N19 | 118.1° | 119.6° |
| C04 | N19 | C22 | 132.9° | 111.0° |
| C04 | N19 | C20 | 127.5° | 111.0° |
| N28 | C27 | H30 | 123.3° | 125.5° |
| N25 | C23 | C22 | 112.7° | 120.0° |
| C23 | N25 | H29 | 118.9° | 120.0° |
| C23 | C22 | N19 | 116.4° | 113.9° |
| C23 | C22 | C21 | 116.0° | 113.8° |
| C23 | C22 | H16 | 110.9° | 113.0° |
| C22 | N19 | C20 | 95.9° | 90.7° |
| N19 | C22 | C21 | 87.5° | 86.2° |
| N19 | C22 | H16 | 112.9° | 113.7° |
| N19 | C20 | C21 | 88.5° | 86.2° |
| N19 | C20 | H12 | 114.4° | 113.7° |
| N19 | C20 | H13 | 114.4° | 113.8° |
| C22 | C21 | C20 | 87.5° | 86.4° |
| C22 | C21 | H14 | 114.7° | 113.7° |
| C22 | C21 | H15 | 114.7° | 113.8° |
| C21 | C22 | H16 | 111.2° | 113.8° |
| C21 | C20 | H12 | 114.4° | 113.8° |
| C21 | C20 | H13 | 114.4° | 113.7° |
| C20 | C21 | H14 | 114.6° | 113.7° |
| C20 | C21 | H15 | 114.7° | 113.7° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H4 | C13 | H6 | 109.5° | 109.5° |
| H5 | C13 | H6 | 109.5° | 109.5° |
| H7 | C15 | H8 | 109.5° | 109.5° |
| H9 | C17 | H10 | 109.4° | 109.5° |
| H9 | C17 | H11 | 109.5° | 109.5° |
| H10 | C17 | H11 | 109.5° | 109.5° |
| H12 | C20 | H13 | 109.5° | 113.0° |
| H14 | C21 | H15 | 109.4° | 112.9° |
| H17 | C26 | H18 | 109.4° | 109.4° |
| H17 | C26 | H19 | 109.5° | 109.5° |
| H18 | C26 | H19 | 109.5° | 109.5° |
| H24 | C14 | H25 | 109.5° | 109.4° |
| H26 | C16 | H27 | 109.5° | 109.5° |
| H26 | C16 | H28 | 109.5° | 109.5° |
| H27 | C16 | H28 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C11 | N12 | C14 | 94.1° | 53.7° |
| C13 | C11 | N12 | C15 | 35.2° | 70.2° |
| C13 | C11 | N12 | C10 | 123.3° | 120.0° |
| C13 | C11 | N12 | H23 | 117.2° | 120.0° |
| C13 | C11 | C10 | H23 | 116.4° | 120.0° |
| C13 | C11 | C10 | N08 | 169.9° | 174.2° |
| C13 | C11 | C10 | H1 | 49.7° | 54.2° |
| C13 | C11 | C10 | H2 | 69.9° | 65.8° |
| C11 | C13 | H4 | H5 | 120.0° | 120.0° |
| C11 | C13 | H4 | H6 | 120.0° | 120.0° |
| C11 | C13 | H5 | H6 | 120.0° | 120.0° |
| C17 | C14 | N12 | H24 | 120.1° | 120.0° |
| C17 | C14 | N12 | H25 | 120.2° | 120.1° |
| C17 | C14 | N12 | C15 | 155.3° | 70.6° |
| C17 | C14 | N12 | C11 | 73.9° | 165.5° |
| C14 | C17 | H9 | H10 | 120.0° | 120.0° |
| C14 | C17 | H9 | H11 | 120.0° | 119.9° |
| C14 | C17 | H10 | H11 | 120.0° | 120.0° |
| C17 | C14 | H24 | H25 | 119.6° | 120.0° |
| C14 | N12 | C15 | C11 | 128.9° | 124.0° |
| C14 | N12 | C15 | C16 | 67.5° | 164.4° |
| C14 | N12 | C11 | C10 | 142.6° | 66.3° |
| C14 | N12 | C15 | H7 | 171.7° | 44.3° |
| C14 | N12 | C15 | H8 | 53.3° | 75.6° |
| N12 | C14 | C17 | H9 | 180.0° | 56.1° |
| N12 | C14 | C17 | H10 | 60.0° | 63.9° |
| N12 | C14 | C17 | H11 | 60.0° | 176.0° |
| C14 | N12 | C11 | H23 | 23.0° | 173.7° |
| N12 | C14 | H24 | H25 | 119.6° | 120.0° |
| C38 | C37 | C36 | H34 | 180.0° | 179.7° |
| C37 | C38 | S39 | H35 | 180.0° | 179.7° |
| C38 | C37 | C36 | C35 | 0.2° | 0.0° |
| C37 | C38 | S39 | C35 | 0.0° | 0.3° |
| C38 | C37 | C36 | H33 | 179.8° | 179.9° |
| C36 | C37 | C38 | S39 | 0.1° | 0.2° |
| C37 | C36 | C35 | H33 | 180.0° | 179.9° |
| C37 | C36 | C35 | S39 | 0.2° | 0.2° |
| C37 | C36 | C35 | C33 | 179.8° | 179.9° |
| C36 | C37 | C38 | H35 | 179.9° | 180.0° |
| C38 | S39 | C35 | C36 | 0.1° | 0.3° |
| C38 | S39 | C35 | C33 | 179.8° | 180.0° |
| S39 | C38 | C37 | H34 | 179.9° | 179.9° |
| N12 | C15 | C16 | H7 | 120.8° | 120.0° |
| N12 | C15 | C16 | H8 | 120.8° | 120.0° |
| C15 | N12 | C11 | C10 | 88.1° | 169.7° |
| N12 | C15 | H7 | H8 | 117.6° | 120.0° |
| C15 | N12 | C11 | H23 | 152.4° | 49.8° |
| C15 | N12 | C14 | H24 | 84.6° | 169.4° |
| C15 | N12 | C14 | H25 | 35.1° | 49.5° |
| N12 | C15 | C16 | H26 | 180.0° | 57.1° |
| N12 | C15 | C16 | H27 | 60.0° | 62.9° |
| N12 | C15 | C16 | H28 | 60.0° | 177.1° |
| C16 | C15 | N12 | C11 | 163.6° | 71.7° |
| C16 | C15 | H7 | H8 | 117.6° | 120.0° |
| C15 | C16 | H26 | H27 | 120.0° | 120.0° |
| C15 | C16 | H26 | H28 | 120.0° | 120.1° |
| C15 | C16 | H27 | H28 | 120.0° | 120.0° |
| N12 | C11 | C10 | H23 | 119.9° | 120.0° |
| N12 | C11 | C10 | N08 | 66.4° | 54.2° |
| N12 | C11 | C10 | H1 | 173.4° | 65.9° |
| N12 | C11 | C10 | H2 | 53.8° | 174.2° |
| N12 | C11 | C13 | H4 | 180.0° | 60.0° |
| N12 | C11 | C13 | H5 | 60.0° | 60.0° |
| N12 | C11 | C13 | H6 | 60.0° | 180.0° |
| C11 | N12 | C15 | H7 | 42.8° | 168.3° |
| C11 | N12 | C15 | H8 | 75.6° | 48.3° |
| C11 | N12 | C14 | H24 | 46.2° | 45.5° |
| C11 | N12 | C14 | H25 | 166.0° | 74.5° |
| C11 | C10 | N08 | H1 | 120.2° | 120.0° |
| C11 | C10 | N08 | H2 | 120.2° | 120.0° |
| C11 | C10 | N08 | C07 | 74.4° | 175.3° |
| C11 | C10 | H1 | H2 | 119.3° | 120.0° |
| C10 | C11 | C13 | H4 | 53.9° | 180.0° |
| C10 | C11 | C13 | H5 | 173.9° | 60.0° |
| C10 | C11 | C13 | H6 | 66.1° | 60.0° |
| C11 | C10 | N08 | H22 | 105.6° | 4.8° |
| C36 | C35 | S39 | C33 | 179.7° | 179.7° |
| C36 | C35 | C33 | C32 | 5.4° | 174.7° |
| C36 | C35 | C33 | N34 | 174.8° | 4.9° |
| C35 | C36 | C37 | H34 | 179.8° | 179.7° |
| S39 | C35 | C33 | C32 | 174.1° | 5.6° |
| S39 | C35 | C33 | N34 | 5.6° | 174.8° |
| S39 | C35 | C36 | H33 | 179.8° | 179.8° |
| C35 | S39 | C38 | H35 | 180.0° | 180.0° |
| C10 | N08 | C07 | H22 | 180.0° | 179.9° |
| C10 | N08 | C07 | O09 | 0.0° | 0.1° |
| C10 | N08 | C07 | C02 | 179.5° | 180.0° |
| N08 | C10 | H1 | H2 | 119.3° | 120.0° |
| N08 | C10 | C11 | H23 | 53.5° | 65.8° |
| C35 | C33 | C32 | N34 | 179.7° | 179.6° |
| C35 | C33 | C32 | C31 | 179.9° | 180.0° |
| C35 | C33 | N34 | C30 | 179.8° | 180.0° |
| C35 | C33 | C32 | H32 | 0.1° | 0.0° |
| C33 | C35 | C36 | H33 | 0.2° | 0.2° |
| N08 | C07 | O09 | C02 | 179.4° | 179.9° |
| N08 | C07 | C02 | C01 | 143.4° | 0.0° |
| N08 | C07 | C02 | C03 | 36.4° | 179.9° |
| C07 | N08 | C10 | H1 | 165.4° | 64.7° |
| C07 | N08 | C10 | H2 | 45.9° | 55.3° |
| C33 | C32 | C31 | H32 | 180.0° | 180.0° |
| C32 | C33 | N34 | C30 | 0.1° | 0.4° |
| C33 | C32 | C31 | N29 | 0.2° | 0.0° |
| C33 | C32 | C31 | H31 | 179.8° | 180.0° |
| N34 | C33 | C32 | C31 | 0.2° | 0.4° |
| C33 | N34 | C30 | N29 | 0.0° | 0.1° |
| C33 | N34 | C30 | C18 | 180.0° | 179.3° |
| N34 | C33 | C32 | H32 | 179.8° | 179.6° |
| O09 | C07 | C02 | C01 | 36.1° | 179.9° |
| O09 | C07 | C02 | C03 | 144.1° | 0.0° |
| O09 | C07 | N08 | H22 | 180.0° | 180.0° |
| C07 | C02 | C01 | C03 | 179.8° | 179.9° |
| C07 | C02 | C01 | C06 | 179.9° | 180.0° |
| C07 | C02 | C03 | C04 | 179.8° | 179.9° |
| C07 | C02 | C01 | H20 | 0.1° | 0.4° |
| C07 | C02 | C03 | H21 | 0.2° | 0.0° |
| C02 | C07 | N08 | H22 | 0.5° | 0.1° |
| C32 | C31 | N29 | H31 | 180.0° | 180.0° |
| C32 | C31 | N29 | C30 | 0.1° | 0.3° |
| C32 | C31 | N29 | N28 | 179.9° | 180.0° |
| N34 | C30 | N29 | C31 | 0.0° | 0.2° |
| N34 | C30 | N29 | C18 | 179.9° | 179.5° |
| N34 | C30 | N29 | N28 | 180.0° | 179.9° |
| N34 | C30 | C18 | C06 | 0.2° | 0.4° |
| N34 | C30 | C18 | C27 | 179.9° | 179.9° |
| C02 | C01 | C06 | H20 | 180.0° | 179.6° |
| C01 | C02 | C03 | C04 | 0.0° | 0.0° |
| C02 | C01 | C06 | C18 | 179.8° | 179.7° |
| C02 | C01 | C06 | N05 | 0.1° | 0.1° |
| C01 | C02 | C03 | H21 | 180.0° | 179.9° |
| C03 | C02 | C01 | C06 | 0.1° | 0.1° |
| C02 | C03 | C04 | H21 | 180.0° | 179.9° |
| C02 | C03 | C04 | N05 | 0.1° | 0.1° |
| C02 | C03 | C04 | N19 | 179.8° | 180.0° |
| C03 | C02 | C01 | H20 | 179.9° | 179.7° |
| C01 | C06 | C18 | C30 | 8.2° | 133.3° |
| C01 | C06 | C18 | N05 | 179.7° | 179.8° |
| C01 | C06 | C18 | C27 | 172.2° | 46.3° |
| C01 | C06 | N05 | C04 | 0.1° | 0.0° |
| C31 | N29 | C30 | N28 | 180.0° | 179.8° |
| C31 | N29 | C30 | C18 | 179.9° | 179.8° |
| C31 | N29 | N28 | C27 | 179.9° | 179.9° |
| N29 | C31 | C32 | H32 | 179.8° | 180.0° |
| N29 | C30 | C18 | C06 | 179.7° | 179.9° |
| N29 | C30 | C18 | C27 | 0.0° | 0.4° |
| C30 | N29 | N28 | C27 | 0.1° | 0.3° |
| C30 | N29 | C31 | H31 | 179.9° | 179.7° |
| C18 | C30 | N29 | N28 | 0.1° | 0.4° |
| C30 | C18 | C06 | C27 | 179.6° | 179.6° |
| C30 | C18 | C06 | N05 | 171.5° | 46.9° |
| C30 | C18 | C27 | N28 | 0.1° | 0.3° |
| C30 | C18 | C27 | H30 | 179.9° | 179.7° |
| C03 | C04 | N05 | C06 | 0.1° | 0.1° |
| C03 | C04 | N05 | N19 | 179.7° | 179.9° |
| C03 | C04 | N19 | C22 | 16.7° | 175.7° |
| C03 | C04 | N19 | C20 | 169.8° | 76.4° |
| N29 | N28 | C27 | C18 | 0.1° | 0.0° |
| N29 | N28 | C27 | H30 | 179.9° | 179.9° |
| N28 | N29 | C31 | H31 | 0.1° | 0.1° |
| C18 | C06 | N05 | C04 | 179.7° | 179.7° |
| C06 | C18 | C27 | N28 | 179.7° | 180.0° |
| C18 | C06 | C01 | H20 | 0.2° | 0.1° |
| C06 | C18 | C27 | H30 | 0.3° | 0.0° |
| N05 | C06 | C18 | C27 | 8.1° | 133.4° |
| C06 | N05 | C04 | N19 | 179.8° | 180.0° |
| N05 | C06 | C01 | H20 | 179.9° | 179.7° |
| C18 | C27 | N28 | H30 | 180.0° | 179.9° |
| C26 | N25 | C23 | O24 | 0.2° | 5.3° |
| C26 | N25 | C23 | H29 | 180.0° | 179.9° |
| C26 | N25 | C23 | C22 | 179.9° | 174.7° |
| N25 | C26 | H17 | H18 | 120.0° | 119.9° |
| N25 | C26 | H17 | H19 | 120.0° | 120.0° |
| N25 | C26 | H18 | H19 | 120.0° | 120.0° |
| O24 | C23 | N25 | C22 | 179.7° | 180.0° |
| O24 | C23 | C22 | N19 | 36.3° | 5.5° |
| O24 | C23 | C22 | C21 | 64.6° | 102.1° |
| O24 | C23 | C22 | H16 | 167.2° | 126.2° |
| O24 | C23 | N25 | H29 | 179.8° | 174.8° |
| N05 | C04 | N19 | C22 | 163.0° | 4.4° |
| N05 | C04 | N19 | C20 | 9.9° | 103.7° |
| N05 | C04 | C03 | H21 | 179.9° | 180.0° |
| C04 | N19 | C22 | C23 | 89.5° | 108.1° |
| C04 | N19 | C22 | C20 | 158.8° | 112.9° |
| C04 | N19 | C22 | C21 | 152.6° | 137.5° |
| C04 | N19 | C20 | C21 | 154.2° | 137.5° |
| C04 | N19 | C20 | H12 | 37.9° | 108.2° |
| C04 | N19 | C20 | H13 | 89.6° | 23.2° |
| C04 | N19 | C22 | H16 | 40.5° | 23.2° |
| N19 | C04 | C03 | H21 | 0.2° | 0.1° |
| N25 | C23 | C22 | N19 | 144.0° | 174.5° |
| N25 | C23 | C22 | C21 | 115.1° | 77.9° |
| N25 | C23 | C22 | H16 | 13.1° | 53.8° |
| C23 | N25 | C26 | H17 | 180.0° | 180.0° |
| C23 | N25 | C26 | H18 | 60.0° | 60.1° |
| C23 | N25 | C26 | H19 | 60.0° | 60.0° |
| C23 | C22 | N19 | C21 | 118.0° | 114.3° |
| C23 | C22 | N19 | H16 | 130.0° | 131.3° |
| C23 | C22 | N19 | C20 | 111.7° | 139.0° |
| C23 | C22 | C21 | H16 | 128.0° | 131.3° |
| C23 | C22 | C21 | C20 | 112.5° | 138.1° |
| C23 | C22 | C21 | H14 | 3.5° | 107.5° |
| C23 | C22 | C21 | H15 | 131.4° | 23.8° |
| C22 | C23 | N25 | H29 | 0.1° | 5.3° |
| N19 | C22 | C21 | H16 | 113.6° | 114.3° |
| C22 | N19 | C20 | C21 | 6.3° | 24.7° |
| C22 | N19 | C20 | H12 | 122.6° | 139.0° |
| C22 | N19 | C20 | H13 | 109.9° | 89.6° |
| N19 | C22 | C21 | H14 | 121.9° | 138.1° |
| N19 | C22 | C21 | H15 | 110.2° | 90.7° |
| N19 | C20 | C21 | H12 | 116.2° | 114.3° |
| N19 | C20 | C21 | H13 | 116.3° | 114.4° |
| N19 | C20 | H12 | H13 | 130.0° | 131.8° |
| N19 | C20 | C21 | H14 | 121.9° | 138.1° |
| N19 | C20 | C21 | H15 | 110.2° | 90.8° |
| C20 | N19 | C22 | H16 | 118.3° | 89.7° |
| C22 | C21 | C20 | H14 | 116.1° | 114.4° |
| C22 | C21 | C20 | H15 | 116.1° | 114.5° |
| C22 | C21 | C20 | H12 | 122.1° | 138.0° |
| C22 | C21 | C20 | H13 | 110.4° | 90.7° |
| C22 | C21 | H14 | H15 | 130.5° | 131.7° |
| C21 | C20 | H12 | H13 | 129.9° | 131.7° |
| C20 | C21 | H14 | H15 | 130.4° | 131.5° |
| C20 | C21 | C22 | H16 | 119.5° | 90.6° |
| H1 | C10 | N08 | H22 | 14.6° | 115.2° |
| H1 | C10 | C11 | H23 | 66.7° | 174.2° |
| H2 | C10 | N08 | H22 | 134.2° | 124.8° |
| H2 | C10 | C11 | H23 | 173.7° | 54.2° |
| H4 | C13 | H5 | H6 | 120.0° | 120.0° |
| H4 | C13 | C11 | H23 | 62.4° | 60.0° |
| H5 | C13 | C11 | H23 | 57.6° | 180.0° |
| H6 | C13 | C11 | H23 | 177.6° | 60.0° |
| H7 | C15 | C16 | H26 | 59.2° | 177.1° |
| H7 | C15 | C16 | H27 | 179.2° | 57.1° |
| H7 | C15 | C16 | H28 | 60.8° | 62.9° |
| H8 | C15 | C16 | H26 | 59.2° | 62.9° |
| H8 | C15 | C16 | H27 | 60.8° | 177.1° |
| H8 | C15 | C16 | H28 | 179.3° | 57.1° |
| H9 | C17 | H10 | H11 | 120.0° | 120.0° |
| H9 | C17 | C14 | H24 | 59.9° | 176.0° |
| H9 | C17 | C14 | H25 | 59.9° | 64.0° |
| H10 | C17 | C14 | H24 | 60.1° | 56.0° |
| H10 | C17 | C14 | H25 | 179.8° | 176.0° |
| H11 | C17 | C14 | H24 | 179.9° | 64.0° |
| H11 | C17 | C14 | H25 | 60.1° | 56.0° |
| H12 | C20 | C21 | H14 | 121.8° | 107.6° |
| H12 | C20 | C21 | H15 | 6.0° | 23.5° |
| H13 | C20 | C21 | H14 | 5.7° | 23.7° |
| H13 | C20 | C21 | H15 | 133.5° | 154.8° |
| H14 | C21 | C22 | H16 | 124.5° | 23.8° |
| H15 | C21 | C22 | H16 | 3.4° | 155.0° |
| H17 | C26 | H18 | H19 | 120.0° | 120.0° |
| H17 | C26 | N25 | H29 | 0.0° | 0.1° |
| H18 | C26 | N25 | H29 | 120.0° | 120.0° |
| H19 | C26 | N25 | H29 | 120.0° | 119.9° |
| H26 | C16 | H27 | H28 | 120.0° | 120.0° |
| H31 | C31 | C32 | H32 | 0.2° | 0.0° |
| H33 | C36 | C37 | H34 | 0.2° | 0.2° |
| H34 | C37 | C38 | H35 | 0.1° | 0.3° |
