DJ1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N33 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| N33 | C32 | sing | 1.37Å | 1.36Å | Aromatic |
| C39 | C34 | doub | 1.39Å | 1.42Å | Aromatic |
| C39 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
| C04 | C02 | sing | 1.53Å | 1.54Å | |
| C34 | C35 | sing | 1.41Å | 1.46Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C32 | C31 | doub | 1.34Å | 1.37Å | Aromatic |
| C38 | C37 | doub | 1.39Å | 1.43Å | Aromatic |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C02 | O05 | sing | 1.45Å | 1.41Å | |
| C35 | C31 | sing | 1.47Å | 1.47Å | Aromatic |
| C35 | C36 | doub | 1.40Å | 1.43Å | Aromatic |
| C31 | C30 | sing | 1.51Å | 1.54Å | |
| N08 | C06 | sing | 1.35Å | 1.41Å | |
| N08 | C09 | sing | 1.46Å | 1.43Å | |
| O05 | C06 | sing | 1.35Å | 1.40Å | |
| C37 | C36 | sing | 1.37Å | 1.40Å | Aromatic |
| C06 | O07 | doub | 1.21Å | 1.23Å | |
| C09 | C30 | sing | 1.53Å | 1.62Å | |
| C09 | C10 | sing | 1.53Å | 1.51Å | |
| C26 | C27 | doub | 1.38Å | 1.37Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.38Å | Aromatic |
| C27 | N28 | sing | 1.32Å | 1.31Å | Aromatic |
| C10 | S11 | sing | 1.81Å | 1.75Å | |
| N28 | C29 | doub | 1.32Å | 1.33Å | Aromatic |
| C25 | C24 | doub | 1.39Å | 1.38Å | Aromatic |
| S11 | C12 | sing | 1.81Å | 1.80Å | |
| C29 | C24 | sing | 1.38Å | 1.36Å | Aromatic |
| C18 | C19 | sing | 1.55Å | 1.59Å | |
| C18 | C17 | sing | 1.54Å | 1.48Å | |
| C24 | C23 | sing | 1.51Å | 1.50Å | |
| C19 | C15 | sing | 1.55Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| N22 | C23 | sing | 1.47Å | 1.45Å | |
| N22 | C20 | sing | 1.35Å | 1.43Å | |
| C13 | C20 | sing | 1.51Å | 1.59Å | |
| C13 | N14 | sing | 1.47Å | 1.48Å | |
| C17 | C16 | sing | 1.54Å | 1.55Å | |
| C20 | O21 | doub | 1.21Å | 1.18Å | |
| C15 | N14 | sing | 1.47Å | 1.45Å | |
| C15 | C16 | sing | 1.54Å | 1.56Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| N14 | H5 | sing | 1.01Å | 1.00Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C03 | H16 | sing | 1.09Å | 1.10Å | |
| C03 | H17 | sing | 1.09Å | 1.10Å | |
| C03 | H18 | sing | 1.09Å | 1.10Å | |
| C04 | H19 | sing | 1.09Å | 1.10Å | |
| C04 | H20 | sing | 1.09Å | 1.10Å | |
| C04 | H21 | sing | 1.09Å | 1.10Å | |
| C09 | H22 | sing | 1.09Å | 1.10Å | |
| C10 | H23 | sing | 1.09Å | 1.10Å | |
| C10 | H24 | sing | 1.09Å | 1.10Å | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.08Å | 1.08Å | |
| C26 | H29 | sing | 1.08Å | 1.08Å | |
| C27 | H30 | sing | 1.08Å | 1.08Å | |
| C29 | H31 | sing | 1.08Å | 1.08Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.08Å | 1.08Å | |
| C36 | H35 | sing | 1.08Å | 1.08Å | |
| C37 | H36 | sing | 1.08Å | 1.08Å | |
| C38 | H37 | sing | 1.08Å | 1.08Å | |
| C39 | H38 | sing | 1.08Å | 1.08Å | |
| N08 | H39 | sing | 0.97Å | 1.00Å | |
| N22 | H40 | sing | 0.97Å | 1.00Å | |
| N33 | H41 | sing | 0.97Å | 1.00Å | |
| C12 | H42 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C34 | N33 | C32 | 111.0° | 109.9° |
| N33 | C34 | C39 | 133.7° | 133.5° |
| N33 | C34 | C35 | 105.5° | 107.2° |
| C34 | N33 | H41 | 124.5° | 125.0° |
| N33 | C32 | C31 | 110.7° | 109.9° |
| N33 | C32 | H34 | 124.6° | 125.0° |
| C32 | N33 | H41 | 124.5° | 125.1° |
| C34 | C39 | C38 | 121.2° | 119.7° |
| C39 | C34 | C35 | 120.8° | 119.3° |
| C34 | C39 | H38 | 119.4° | 120.1° |
| C39 | C38 | C37 | 119.5° | 120.7° |
| C39 | C38 | H37 | 120.3° | 119.6° |
| C38 | C39 | H38 | 119.4° | 120.1° |
| C04 | C02 | C01 | 109.3° | 109.5° |
| C04 | C02 | C03 | 107.5° | 109.5° |
| C04 | C02 | O05 | 107.4° | 109.5° |
| C02 | C04 | H19 | 109.5° | 109.5° |
| C02 | C04 | H20 | 109.4° | 109.5° |
| C02 | C04 | H21 | 109.4° | 109.5° |
| C34 | C35 | C31 | 106.3° | 106.0° |
| C34 | C35 | C36 | 115.5° | 120.0° |
| C01 | C02 | C03 | 110.2° | 109.4° |
| C01 | C02 | O05 | 108.8° | 109.5° |
| C02 | C01 | H13 | 109.5° | 109.5° |
| C02 | C01 | H14 | 109.5° | 109.4° |
| C02 | C01 | H15 | 109.5° | 109.5° |
| C32 | C31 | C35 | 106.4° | 107.0° |
| C32 | C31 | C30 | 125.8° | 126.5° |
| C31 | C32 | H34 | 124.7° | 125.1° |
| C38 | C37 | C36 | 119.4° | 120.5° |
| C38 | C37 | H36 | 120.3° | 119.8° |
| C37 | C38 | H37 | 120.2° | 119.6° |
| C03 | C02 | O05 | 113.6° | 109.5° |
| C02 | C03 | H16 | 109.5° | 109.5° |
| C02 | C03 | H17 | 109.5° | 109.4° |
| C02 | C03 | H18 | 109.5° | 109.5° |
| C02 | O05 | C06 | 117.8° | 117.0° |
| C31 | C35 | C36 | 138.2° | 134.0° |
| C35 | C31 | C30 | 127.8° | 126.5° |
| C35 | C36 | C37 | 123.6° | 119.8° |
| C35 | C36 | H35 | 118.2° | 120.1° |
| C31 | C30 | C09 | 116.0° | 109.4° |
| C31 | C30 | H32 | 107.8° | 109.5° |
| C31 | C30 | H33 | 107.8° | 109.5° |
| C06 | N08 | C09 | 120.7° | 120.0° |
| N08 | C06 | O05 | 112.4° | 120.0° |
| N08 | C06 | O07 | 125.3° | 120.0° |
| C06 | N08 | H39 | 119.7° | 120.0° |
| N08 | C09 | C30 | 112.5° | 109.5° |
| N08 | C09 | C10 | 109.8° | 109.5° |
| N08 | C09 | H22 | 110.2° | 109.5° |
| C09 | N08 | H39 | 119.6° | 120.0° |
| O05 | C06 | O07 | 121.2° | 120.0° |
| C37 | C36 | H35 | 118.2° | 120.1° |
| C36 | C37 | H36 | 120.3° | 119.7° |
| C30 | C09 | C10 | 107.3° | 109.5° |
| C30 | C09 | H22 | 107.8° | 109.5° |
| C09 | C30 | H32 | 107.8° | 109.5° |
| C09 | C30 | H33 | 107.8° | 109.4° |
| C09 | C10 | S11 | 102.1° | 109.5° |
| C10 | C09 | H22 | 109.2° | 109.4° |
| C09 | C10 | H23 | 111.3° | 109.5° |
| C09 | C10 | H24 | 111.2° | 109.5° |
| C27 | C26 | C25 | 119.7° | 119.2° |
| C26 | C27 | N28 | 117.9° | 120.8° |
| C27 | C26 | H29 | 120.2° | 120.4° |
| C26 | C27 | H30 | 121.1° | 119.6° |
| C26 | C25 | C24 | 122.6° | 118.4° |
| C26 | C25 | H28 | 118.7° | 120.8° |
| C25 | C26 | H29 | 120.1° | 120.4° |
| C27 | N28 | C29 | 122.3° | 121.7° |
| N28 | C27 | H30 | 121.0° | 119.6° |
| C10 | S11 | C12 | 116.4° | 103.0° |
| S11 | C10 | H23 | 111.3° | 109.5° |
| S11 | C10 | H24 | 111.3° | 109.5° |
| N28 | C29 | C24 | 124.1° | 120.8° |
| N28 | C29 | H31 | 118.0° | 119.6° |
| C25 | C24 | C29 | 113.4° | 119.1° |
| C25 | C24 | C23 | 124.5° | 120.4° |
| C24 | C25 | H28 | 118.7° | 120.8° |
| S11 | C12 | C13 | 118.7° | 109.5° |
| S11 | C12 | H4 | 107.1° | 109.5° |
| S11 | C12 | H42 | 107.1° | 109.5° |
| C29 | C24 | C23 | 122.0° | 120.5° |
| C24 | C29 | H31 | 118.0° | 119.6° |
| C19 | C18 | C17 | 105.8° | 104.2° |
| C18 | C19 | C15 | 107.1° | 102.7° |
| C19 | C18 | H9 | 110.4° | 110.5° |
| C19 | C18 | H10 | 110.4° | 110.5° |
| C18 | C19 | H11 | 110.1° | 110.8° |
| C18 | C19 | H12 | 110.1° | 110.8° |
| C18 | C17 | C16 | 108.5° | 106.6° |
| C18 | C17 | H2 | 109.7° | 110.0° |
| C18 | C17 | H3 | 109.7° | 110.0° |
| C17 | C18 | H9 | 110.4° | 110.5° |
| C17 | C18 | H10 | 110.4° | 110.5° |
| C24 | C23 | N22 | 107.7° | 109.5° |
| C24 | C23 | H26 | 109.9° | 109.4° |
| C24 | C23 | H27 | 109.9° | 109.5° |
| C19 | C15 | N14 | 109.5° | 110.5° |
| C19 | C15 | C16 | 107.3° | 104.2° |
| C19 | C15 | H1 | 109.1° | 110.6° |
| C15 | C19 | H11 | 110.1° | 110.7° |
| C15 | C19 | H12 | 110.1° | 110.8° |
| C12 | C13 | C20 | 109.2° | 109.4° |
| C12 | C13 | N14 | 104.3° | 109.5° |
| C13 | C12 | H4 | 107.1° | 109.5° |
| C12 | C13 | H25 | 110.4° | 109.5° |
| C13 | C12 | H42 | 107.1° | 109.5° |
| C23 | N22 | C20 | 124.9° | 120.0° |
| N22 | C23 | H26 | 109.9° | 109.5° |
| N22 | C23 | H27 | 109.9° | 109.5° |
| C23 | N22 | H40 | 117.6° | 120.0° |
| N22 | C20 | C13 | 119.1° | 120.0° |
| N22 | C20 | O21 | 118.0° | 120.0° |
| C20 | N22 | H40 | 117.5° | 120.1° |
| C20 | C13 | N14 | 112.1° | 109.5° |
| C13 | C20 | O21 | 122.9° | 120.0° |
| C20 | C13 | H25 | 109.6° | 109.5° |
| C13 | N14 | C15 | 112.2° | 111.0° |
| C13 | N14 | H5 | 108.8° | 111.0° |
| N14 | C13 | H25 | 111.1° | 109.5° |
| C17 | C16 | C15 | 105.7° | 106.6° |
| C16 | C17 | H2 | 109.7° | 110.1° |
| C16 | C17 | H3 | 109.7° | 110.1° |
| C17 | C16 | H7 | 110.4° | 110.0° |
| C17 | C16 | H8 | 110.4° | 110.0° |
| N14 | C15 | C16 | 112.2° | 110.5° |
| N14 | C15 | H1 | 110.1° | 110.5° |
| C15 | N14 | H5 | 108.8° | 111.0° |
| C16 | C15 | H1 | 108.6° | 110.5° |
| C15 | C16 | H7 | 110.4° | 110.1° |
| C15 | C16 | H8 | 110.4° | 110.0° |
| H2 | C17 | H3 | 109.5° | 110.0° |
| H4 | C12 | H42 | 109.5° | 109.4° |
| H7 | C16 | H8 | 109.5° | 110.1° |
| H9 | C18 | H10 | 109.5° | 110.5° |
| H11 | C19 | H12 | 109.5° | 110.8° |
| H13 | C01 | H14 | 109.5° | 109.5° |
| H13 | C01 | H15 | 109.5° | 109.5° |
| H14 | C01 | H15 | 109.4° | 109.5° |
| H16 | C03 | H17 | 109.4° | 109.5° |
| H16 | C03 | H18 | 109.5° | 109.5° |
| H17 | C03 | H18 | 109.5° | 109.5° |
| H19 | C04 | H20 | 109.5° | 109.5° |
| H19 | C04 | H21 | 109.5° | 109.5° |
| H20 | C04 | H21 | 109.5° | 109.4° |
| H23 | C10 | H24 | 109.5° | 109.5° |
| H26 | C23 | H27 | 109.4° | 109.5° |
| H32 | C30 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C34 | N33 | C32 | H41 | 180.0° | 179.9° |
| N33 | C34 | C39 | C35 | 179.8° | 179.9° |
| N33 | C34 | C39 | C38 | 179.7° | 180.0° |
| C34 | N33 | C32 | C31 | 0.7° | 0.1° |
| N33 | C34 | C35 | C31 | 0.1° | 0.2° |
| N33 | C34 | C35 | C36 | 179.9° | 180.0° |
| C34 | N33 | C32 | H34 | 179.4° | 179.8° |
| N33 | C34 | C39 | H38 | 0.3° | 0.1° |
| C32 | N33 | C34 | C39 | 179.7° | 179.9° |
| C32 | N33 | C34 | C35 | 0.5° | 0.1° |
| N33 | C32 | C31 | H34 | 180.0° | 179.9° |
| N33 | C32 | C31 | C35 | 0.5° | 0.2° |
| N33 | C32 | C31 | C30 | 179.7° | 180.0° |
| C34 | C39 | C38 | H38 | 180.0° | 179.9° |
| C34 | C39 | C38 | C37 | 0.1° | 0.1° |
| C39 | C34 | C35 | C31 | 180.0° | 179.9° |
| C39 | C34 | C35 | C36 | 0.0° | 0.1° |
| C34 | C39 | C38 | H37 | 179.9° | 179.9° |
| C39 | C34 | N33 | H41 | 0.3° | 0.1° |
| C38 | C39 | C34 | C35 | 0.1° | 0.1° |
| C39 | C38 | C37 | H37 | 180.0° | 179.9° |
| C39 | C38 | C37 | C36 | 0.0° | 0.0° |
| C39 | C38 | C37 | H36 | 180.0° | 180.0° |
| C04 | C02 | C01 | C03 | 117.9° | 120.0° |
| C04 | C02 | C01 | O05 | 116.9° | 120.0° |
| C04 | C02 | C03 | O05 | 118.7° | 120.0° |
| C04 | C02 | O05 | C06 | 137.7° | 176.6° |
| C04 | C02 | C01 | H13 | 180.0° | 180.0° |
| C04 | C02 | C01 | H14 | 60.0° | 60.0° |
| C04 | C02 | C01 | H15 | 60.0° | 60.0° |
| C04 | C02 | C03 | H16 | 180.0° | 53.4° |
| C04 | C02 | C03 | H17 | 60.0° | 66.6° |
| C04 | C02 | C03 | H18 | 60.0° | 173.4° |
| C02 | C04 | H19 | H20 | 120.0° | 120.0° |
| C02 | C04 | H19 | H21 | 120.0° | 120.0° |
| C02 | C04 | H20 | H21 | 120.0° | 120.0° |
| C34 | C35 | C31 | C32 | 0.2° | 0.2° |
| C34 | C35 | C31 | C36 | 180.0° | 179.8° |
| C34 | C35 | C31 | C30 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.1° | 0.1° |
| C34 | C35 | C36 | H35 | 179.9° | 180.0° |
| C35 | C34 | C39 | H38 | 179.9° | 180.0° |
| C35 | C34 | N33 | H41 | 179.5° | 180.0° |
| C01 | C02 | C03 | O05 | 122.3° | 120.0° |
| C01 | C02 | O05 | C06 | 19.5° | 63.4° |
| C02 | C01 | H13 | H14 | 120.0° | 120.0° |
| C02 | C01 | H13 | H15 | 120.0° | 120.0° |
| C02 | C01 | H14 | H15 | 120.0° | 120.0° |
| C01 | C02 | C03 | H16 | 61.0° | 66.6° |
| C01 | C02 | C03 | H17 | 59.0° | 173.4° |
| C01 | C02 | C03 | H18 | 179.0° | 53.5° |
| C01 | C02 | C04 | H19 | 180.0° | 60.0° |
| C01 | C02 | C04 | H20 | 60.0° | 179.9° |
| C01 | C02 | C04 | H21 | 60.0° | 60.0° |
| C32 | C31 | C35 | C30 | 179.8° | 179.8° |
| C32 | C31 | C35 | C36 | 179.8° | 180.0° |
| C32 | C31 | C30 | C09 | 4.5° | 95.0° |
| C32 | C31 | C30 | H32 | 116.4° | 145.0° |
| C32 | C31 | C30 | H33 | 125.5° | 24.9° |
| C31 | C32 | N33 | H41 | 179.3° | 179.9° |
| C38 | C37 | C36 | C35 | 0.1° | 0.0° |
| C38 | C37 | C36 | H36 | 180.0° | 180.0° |
| C38 | C37 | C36 | H35 | 179.9° | 180.0° |
| C37 | C38 | C39 | H38 | 179.9° | 180.0° |
| C03 | C02 | O05 | C06 | 103.6° | 56.6° |
| C03 | C02 | C01 | H13 | 62.1° | 60.0° |
| C03 | C02 | C01 | H14 | 177.9° | 180.0° |
| C03 | C02 | C01 | H15 | 58.0° | 60.0° |
| C02 | C03 | H16 | H17 | 120.0° | 119.9° |
| C02 | C03 | H16 | H18 | 120.0° | 120.0° |
| C02 | C03 | H17 | H18 | 120.0° | 120.0° |
| C03 | C02 | C04 | H19 | 60.4° | 180.0° |
| C03 | C02 | C04 | H20 | 59.6° | 60.0° |
| C03 | C02 | C04 | H21 | 179.6° | 60.0° |
| C02 | O05 | C06 | N08 | 114.9° | 177.0° |
| C02 | O05 | C06 | O07 | 76.2° | 3.0° |
| O05 | C02 | C01 | H13 | 63.1° | 60.0° |
| O05 | C02 | C01 | H14 | 56.9° | 60.0° |
| O05 | C02 | C01 | H15 | 176.9° | 180.0° |
| O05 | C02 | C03 | H16 | 61.4° | 173.4° |
| O05 | C02 | C03 | H17 | 178.7° | 53.4° |
| O05 | C02 | C03 | H18 | 58.7° | 66.5° |
| O05 | C02 | C04 | H19 | 62.2° | 60.0° |
| O05 | C02 | C04 | H20 | 177.8° | 60.0° |
| O05 | C02 | C04 | H21 | 57.8° | 180.0° |
| C31 | C35 | C36 | C37 | 179.9° | 179.8° |
| C35 | C31 | C30 | C09 | 175.7° | 84.8° |
| C35 | C31 | C30 | H32 | 63.3° | 35.3° |
| C35 | C31 | C30 | H33 | 54.8° | 155.3° |
| C35 | C31 | C32 | H34 | 179.5° | 179.7° |
| C31 | C35 | C36 | H35 | 0.1° | 0.2° |
| C36 | C35 | C31 | C30 | 0.0° | 0.2° |
| C35 | C36 | C37 | H35 | 180.0° | 179.9° |
| C35 | C36 | C37 | H36 | 179.9° | 180.0° |
| C31 | C30 | C09 | N08 | 48.0° | 65.1° |
| C31 | C30 | C09 | H32 | 120.9° | 120.0° |
| C31 | C30 | C09 | H33 | 121.0° | 119.9° |
| C31 | C30 | C09 | C10 | 168.9° | 175.0° |
| C31 | C30 | C09 | H22 | 73.7° | 55.0° |
| C31 | C30 | H32 | H33 | 117.0° | 120.0° |
| C30 | C31 | C32 | H34 | 0.3° | 0.1° |
| C06 | N08 | C09 | H39 | 180.0° | 180.0° |
| N08 | C06 | O05 | O07 | 168.9° | 180.0° |
| C06 | N08 | C09 | C30 | 81.1° | 65.3° |
| C06 | N08 | C09 | C10 | 38.2° | 54.6° |
| C06 | N08 | C09 | H22 | 158.5° | 174.6° |
| C09 | N08 | C06 | O05 | 132.4° | 174.6° |
| C09 | N08 | C06 | O07 | 35.9° | 5.4° |
| N08 | C09 | C30 | C10 | 120.8° | 120.0° |
| N08 | C09 | C30 | H22 | 121.7° | 120.0° |
| N08 | C09 | C10 | H22 | 120.9° | 120.0° |
| N08 | C09 | C10 | S11 | 173.7° | 64.2° |
| N08 | C09 | C10 | H23 | 67.5° | 175.8° |
| N08 | C09 | C10 | H24 | 54.9° | 55.8° |
| N08 | C09 | C30 | H32 | 169.0° | 55.0° |
| N08 | C09 | C30 | H33 | 72.9° | 175.0° |
| O05 | C06 | N08 | H39 | 47.6° | 5.4° |
| C36 | C37 | C38 | H37 | 180.0° | 179.9° |
| O07 | C06 | N08 | H39 | 144.1° | 174.6° |
| C30 | C09 | C10 | H22 | 116.6° | 120.0° |
| C30 | C09 | C10 | S11 | 63.8° | 175.8° |
| C30 | C09 | C10 | H23 | 55.0° | 55.8° |
| C30 | C09 | C10 | H24 | 177.4° | 64.2° |
| C09 | C30 | H32 | H33 | 117.0° | 120.0° |
| C30 | C09 | N08 | H39 | 98.9° | 114.6° |
| C09 | C10 | S11 | H23 | 118.8° | 120.0° |
| C09 | C10 | S11 | H24 | 118.8° | 120.0° |
| C09 | C10 | S11 | C12 | 114.2° | 175.0° |
| C09 | C10 | H23 | H24 | 123.4° | 120.0° |
| C10 | C09 | C30 | H32 | 70.2° | 65.0° |
| C10 | C09 | C30 | H33 | 47.9° | 55.0° |
| C10 | C09 | N08 | H39 | 141.8° | 125.4° |
| C27 | C26 | C25 | H29 | 180.0° | 180.0° |
| C26 | C27 | N28 | H30 | 180.0° | 179.9° |
| C26 | C27 | N28 | C29 | 1.5° | 0.4° |
| C27 | C26 | C25 | C24 | 1.6° | 0.0° |
| C27 | C26 | C25 | H28 | 178.5° | 180.0° |
| C25 | C26 | C27 | N28 | 1.2° | 0.1° |
| C26 | C25 | C24 | H28 | 180.0° | 179.9° |
| C26 | C25 | C24 | C29 | 1.9° | 0.3° |
| C26 | C25 | C24 | C23 | 178.0° | 180.0° |
| C25 | C26 | C27 | H30 | 178.8° | 180.0° |
| C27 | N28 | C29 | C24 | 2.1° | 0.6° |
| N28 | C27 | C26 | H29 | 178.8° | 179.9° |
| C27 | N28 | C29 | H31 | 177.9° | 179.7° |
| C10 | S11 | C12 | C13 | 1.6° | 175.0° |
| C10 | S11 | C12 | H4 | 119.7° | 55.0° |
| S11 | C10 | C09 | H22 | 52.8° | 55.8° |
| S11 | C10 | H23 | H24 | 123.4° | 120.0° |
| C10 | S11 | C12 | H42 | 122.9° | 65.0° |
| N28 | C29 | C24 | C25 | 2.2° | 0.6° |
| N28 | C29 | C24 | H31 | 180.0° | 179.7° |
| N28 | C29 | C24 | C23 | 178.4° | 179.7° |
| C29 | N28 | C27 | H30 | 178.5° | 179.7° |
| C25 | C24 | C29 | C23 | 176.1° | 179.8° |
| C25 | C24 | C23 | N22 | 85.1° | 90.0° |
| C25 | C24 | C23 | H26 | 34.6° | 150.0° |
| C25 | C24 | C23 | H27 | 155.2° | 30.0° |
| C24 | C25 | C26 | H29 | 178.5° | 180.0° |
| C25 | C24 | C29 | H31 | 177.8° | 179.7° |
| S11 | C12 | C13 | H4 | 121.3° | 120.0° |
| S11 | C12 | C13 | H42 | 121.3° | 120.0° |
| S11 | C12 | C13 | C20 | 73.4° | 178.0° |
| S11 | C12 | C13 | N14 | 166.6° | 62.0° |
| S11 | C12 | H4 | H42 | 115.8° | 120.0° |
| C12 | S11 | C10 | H23 | 4.6° | 55.0° |
| C12 | S11 | C10 | H24 | 127.0° | 65.0° |
| S11 | C12 | C13 | H25 | 47.2° | 58.0° |
| C29 | C24 | C23 | N22 | 90.6° | 90.2° |
| C29 | C24 | C23 | H26 | 149.7° | 29.7° |
| C29 | C24 | C23 | H27 | 29.1° | 149.8° |
| C29 | C24 | C25 | H28 | 178.1° | 179.8° |
| C19 | C18 | C17 | H9 | 119.4° | 118.6° |
| C19 | C18 | C17 | H10 | 119.4° | 118.7° |
| C18 | C19 | C15 | H11 | 119.6° | 118.3° |
| C18 | C19 | C15 | H12 | 119.6° | 118.3° |
| C19 | C18 | C17 | C16 | 24.3° | 23.7° |
| C18 | C19 | C15 | N14 | 127.1° | 156.6° |
| C18 | C19 | C15 | C16 | 5.1° | 38.0° |
| C18 | C19 | C15 | H1 | 112.4° | 80.8° |
| C19 | C18 | C17 | H2 | 144.2° | 95.7° |
| C19 | C18 | C17 | H3 | 95.5° | 143.0° |
| C19 | C18 | H9 | H10 | 121.7° | 122.6° |
| C18 | C19 | H11 | H12 | 121.1° | 123.4° |
| C17 | C18 | C19 | C15 | 18.3° | 38.0° |
| C18 | C17 | C16 | H2 | 119.9° | 119.3° |
| C18 | C17 | C16 | H3 | 119.8° | 119.3° |
| C18 | C17 | C16 | C15 | 21.3° | 0.0° |
| C18 | C17 | H2 | H3 | 120.4° | 121.4° |
| C18 | C17 | C16 | H7 | 98.1° | 119.3° |
| C18 | C17 | C16 | H8 | 140.7° | 119.3° |
| C17 | C18 | H9 | H10 | 121.7° | 122.6° |
| C17 | C18 | C19 | H11 | 101.3° | 156.2° |
| C17 | C18 | C19 | H12 | 137.9° | 80.3° |
| C24 | C23 | N22 | H26 | 119.7° | 120.0° |
| C24 | C23 | N22 | H27 | 119.7° | 120.0° |
| C24 | C23 | N22 | C20 | 156.3° | 180.0° |
| C24 | C23 | H26 | H27 | 120.8° | 120.0° |
| C23 | C24 | C25 | H28 | 2.0° | 0.0° |
| C23 | C24 | C29 | H31 | 1.6° | 0.0° |
| C24 | C23 | N22 | H40 | 23.7° | 0.0° |
| C19 | C15 | N14 | C13 | 45.7° | 90.2° |
| C19 | C15 | C16 | C17 | 9.2° | 23.6° |
| C19 | C15 | N14 | C16 | 118.9° | 114.8° |
| C19 | C15 | N14 | H1 | 120.0° | 122.7° |
| C19 | C15 | C16 | H1 | 117.9° | 118.8° |
| C19 | C15 | N14 | H5 | 166.1° | 33.8° |
| C19 | C15 | C16 | H7 | 110.3° | 95.6° |
| C19 | C15 | C16 | H8 | 128.6° | 142.9° |
| C15 | C19 | C18 | H9 | 101.1° | 156.6° |
| C15 | C19 | C18 | H10 | 137.7° | 80.8° |
| C15 | C19 | H11 | H12 | 121.1° | 123.3° |
| C12 | C13 | C20 | N22 | 85.3° | 81.4° |
| C12 | C13 | C20 | N14 | 115.1° | 120.0° |
| C12 | C13 | C20 | H25 | 121.1° | 120.0° |
| C12 | C13 | N14 | H25 | 118.9° | 120.0° |
| C12 | C13 | C20 | O21 | 96.2° | 98.7° |
| C12 | C13 | N14 | C15 | 150.5° | 152.0° |
| C13 | C12 | H4 | H42 | 115.8° | 120.0° |
| C12 | C13 | N14 | H5 | 89.2° | 84.1° |
| C23 | N22 | C20 | H40 | 180.0° | 180.0° |
| C23 | N22 | C20 | C13 | 178.0° | 180.0° |
| C23 | N22 | C20 | O21 | 3.3° | 0.0° |
| N22 | C23 | H26 | H27 | 120.8° | 120.0° |
| N22 | C20 | C13 | O21 | 178.6° | 180.0° |
| N22 | C20 | C13 | N14 | 159.6° | 158.6° |
| N22 | C20 | C13 | H25 | 35.8° | 38.6° |
| C20 | N22 | C23 | H26 | 84.0° | 60.0° |
| C20 | N22 | C23 | H27 | 36.5° | 60.0° |
| C20 | C13 | N14 | H25 | 123.0° | 120.0° |
| C20 | C13 | N14 | C15 | 91.5° | 88.1° |
| C20 | C13 | C12 | H4 | 47.9° | 62.0° |
| C20 | C13 | N14 | H5 | 28.9° | 35.9° |
| C13 | C20 | N22 | H40 | 2.0° | 0.0° |
| C20 | C13 | C12 | H42 | 165.3° | 57.9° |
| N14 | C13 | C20 | O21 | 18.9° | 21.3° |
| C13 | N14 | C15 | H5 | 120.4° | 124.0° |
| C13 | N14 | C15 | C16 | 73.3° | 155.1° |
| C13 | N14 | C15 | H1 | 165.6° | 32.5° |
| N14 | C13 | C12 | H4 | 72.1° | 58.0° |
| N14 | C13 | C12 | H42 | 45.3° | 177.9° |
| C17 | C16 | C15 | N14 | 111.1° | 142.3° |
| C17 | C16 | C15 | H7 | 119.4° | 119.2° |
| C17 | C16 | C15 | H8 | 119.4° | 119.3° |
| C17 | C16 | C15 | H1 | 127.0° | 95.2° |
| C16 | C17 | H2 | H3 | 120.4° | 121.5° |
| C17 | C16 | H7 | H8 | 121.7° | 121.4° |
| C16 | C17 | C18 | H9 | 95.1° | 142.3° |
| C16 | C17 | C18 | H10 | 143.7° | 95.1° |
| O21 | C20 | C13 | H25 | 142.8° | 141.4° |
| O21 | C20 | N22 | H40 | 176.6° | 180.0° |
| N14 | C15 | C16 | H1 | 121.9° | 122.6° |
| N14 | C15 | C16 | H7 | 129.5° | 23.0° |
| N14 | C15 | C16 | H8 | 8.4° | 98.4° |
| N14 | C15 | C19 | H11 | 7.4° | 85.1° |
| N14 | C15 | C19 | H12 | 113.3° | 38.3° |
| C15 | N14 | C13 | H25 | 31.5° | 32.0° |
| C15 | C16 | C17 | H2 | 141.2° | 119.2° |
| C15 | C16 | C17 | H3 | 98.5° | 119.3° |
| C16 | C15 | N14 | H5 | 47.1° | 81.0° |
| C15 | C16 | H7 | H8 | 121.7° | 121.5° |
| C16 | C15 | C19 | H11 | 114.5° | 156.3° |
| C16 | C15 | C19 | H12 | 124.8° | 80.4° |
| H1 | C15 | N14 | H5 | 73.9° | 156.5° |
| H1 | C15 | C16 | H7 | 7.6° | 145.6° |
| H1 | C15 | C16 | H8 | 113.6° | 24.1° |
| H1 | C15 | C19 | H11 | 128.0° | 37.5° |
| H1 | C15 | C19 | H12 | 7.2° | 160.9° |
| H2 | C17 | C16 | H7 | 21.8° | 0.1° |
| H2 | C17 | C16 | H8 | 99.4° | 121.5° |
| H2 | C17 | C18 | H9 | 24.8° | 23.0° |
| H2 | C17 | C18 | H10 | 96.4° | 145.6° |
| H3 | C17 | C16 | H7 | 142.0° | 121.4° |
| H3 | C17 | C16 | H8 | 20.9° | 0.0° |
| H3 | C17 | C18 | H9 | 145.1° | 98.4° |
| H3 | C17 | C18 | H10 | 23.9° | 24.2° |
| H4 | C12 | C13 | H25 | 168.5° | 178.0° |
| H5 | N14 | C13 | H25 | 151.9° | 155.9° |
| H9 | C18 | C19 | H11 | 139.2° | 85.1° |
| H9 | C18 | C19 | H12 | 18.5° | 38.3° |
| H10 | C18 | C19 | H11 | 18.0° | 37.5° |
| H10 | C18 | C19 | H12 | 102.7° | 160.9° |
| H13 | C01 | H14 | H15 | 120.0° | 120.1° |
| H16 | C03 | H17 | H18 | 120.0° | 120.1° |
| H19 | C04 | H20 | H21 | 120.0° | 120.0° |
| H22 | C09 | C10 | H23 | 171.6° | 64.2° |
| H22 | C09 | C10 | H24 | 66.1° | 175.8° |
| H22 | C09 | C30 | H32 | 47.2° | 175.0° |
| H22 | C09 | C30 | H33 | 165.3° | 65.0° |
| H22 | C09 | N08 | H39 | 21.5° | 5.4° |
| H25 | C13 | C12 | H42 | 74.1° | 62.0° |
| H26 | C23 | N22 | H40 | 96.0° | 120.0° |
| H27 | C23 | N22 | H40 | 143.5° | 120.0° |
| H28 | C25 | C26 | H29 | 1.5° | 0.0° |
| H29 | C26 | C27 | H30 | 1.2° | 0.1° |
| H34 | C32 | N33 | H41 | 0.7° | 0.2° |
| H35 | C36 | C37 | H36 | 0.1° | 0.1° |
| H36 | C37 | C38 | H37 | 0.0° | 0.1° |
| H37 | C38 | C39 | H38 | 0.1° | 0.2° |
