NI6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C02 | sing | 1.53Å | 1.55Å | |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C36 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | C04 | sing | 1.53Å | 1.55Å | |
| C02 | O05 | sing | 1.45Å | 1.46Å | |
| C30 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | N29 | sing | 1.32Å | 1.36Å | Aromatic |
| C31 | C26 | sing | 1.39Å | 1.41Å | Aromatic |
| O07 | C06 | doub | 1.22Å | 1.23Å | |
| C38 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| N29 | C28 | doub | 1.32Å | 1.36Å | Aromatic |
| O05 | C06 | sing | 1.35Å | 1.41Å | |
| C26 | C25 | sing | 1.51Å | 1.54Å | |
| C26 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C06 | N08 | sing | 1.35Å | 1.41Å | |
| C25 | C24 | sing | 1.53Å | 1.56Å | |
| C24 | C23 | sing | 1.53Å | 1.59Å | |
| C34 | C33 | sing | 1.38Å | 1.42Å | Aromatic |
| C33 | C32 | sing | 1.51Å | 1.54Å | |
| C28 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| N08 | C09 | sing | 1.47Å | 1.51Å | |
| C32 | C09 | sing | 1.53Å | 1.58Å | |
| C23 | N22 | sing | 1.46Å | 1.47Å | |
| C09 | C10 | sing | 1.53Å | 1.58Å | |
| N22 | C20 | sing | 1.35Å | 1.46Å | |
| C10 | S11 | sing | 1.81Å | 1.88Å | |
| C20 | C12 | sing | 1.51Å | 1.55Å | |
| C20 | O21 | doub | 1.21Å | 1.18Å | |
| S11 | C12 | sing | 1.81Å | 1.90Å | |
| C12 | C13 | sing | 1.53Å | 1.57Å | |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.55Å | |
| C14 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C28 | H9 | sing | 1.08Å | 1.08Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C03 | H13 | sing | 1.09Å | 1.10Å | |
| C03 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.09Å | 1.10Å | |
| C04 | H17 | sing | 1.09Å | 1.10Å | |
| C04 | H18 | sing | 1.09Å | 1.10Å | |
| C09 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| C19 | H23 | sing | 1.08Å | 1.08Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C30 | H28 | sing | 1.08Å | 1.08Å | |
| C31 | H29 | sing | 1.08Å | 1.08Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.08Å | 1.08Å | |
| C35 | H33 | sing | 1.08Å | 1.08Å | |
| C36 | H34 | sing | 1.08Å | 1.08Å | |
| C37 | H35 | sing | 1.08Å | 1.08Å | |
| C38 | H36 | sing | 1.08Å | 1.08Å | |
| N08 | H37 | sing | 0.97Å | 1.00Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| N22 | H39 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C02 | C01 | 111.4° | 109.5° |
| C03 | C02 | C04 | 108.1° | 109.5° |
| C03 | C02 | O05 | 106.4° | 109.5° |
| C02 | C03 | H13 | 109.5° | 109.5° |
| C02 | C03 | H14 | 109.5° | 109.4° |
| C02 | C03 | H15 | 109.5° | 109.5° |
| C01 | C02 | C04 | 108.6° | 109.5° |
| C01 | C02 | O05 | 111.8° | 109.4° |
| C02 | C01 | H10 | 109.5° | 109.4° |
| C02 | C01 | H11 | 109.5° | 109.5° |
| C02 | C01 | H12 | 109.4° | 109.5° |
| C37 | C36 | C35 | 119.0° | 120.0° |
| C36 | C37 | C38 | 120.2° | 120.0° |
| C37 | C36 | H34 | 120.5° | 120.0° |
| C36 | C37 | H35 | 119.9° | 120.0° |
| C36 | C35 | C34 | 120.2° | 120.0° |
| C36 | C35 | H33 | 119.9° | 120.0° |
| C35 | C36 | H34 | 120.5° | 120.0° |
| C37 | C38 | C33 | 122.8° | 120.0° |
| C38 | C37 | H35 | 119.9° | 120.1° |
| C37 | C38 | H36 | 118.6° | 120.0° |
| C04 | C02 | O05 | 110.5° | 109.4° |
| C02 | C04 | H16 | 109.5° | 109.5° |
| C02 | C04 | H17 | 109.4° | 109.5° |
| C02 | C04 | H18 | 109.5° | 109.4° |
| C02 | O05 | C06 | 121.4° | 117.0° |
| C31 | C30 | N29 | 123.0° | 120.8° |
| C30 | C31 | C26 | 120.2° | 119.1° |
| C31 | C30 | H28 | 118.5° | 119.6° |
| C30 | C31 | H29 | 119.9° | 120.4° |
| C30 | N29 | C28 | 117.1° | 121.8° |
| N29 | C30 | H28 | 118.5° | 119.6° |
| C31 | C26 | C25 | 122.3° | 120.8° |
| C31 | C26 | C27 | 116.2° | 118.4° |
| C26 | C31 | H29 | 119.9° | 120.4° |
| O07 | C06 | O05 | 118.3° | 120.0° |
| O07 | C06 | N08 | 120.1° | 120.0° |
| C38 | C33 | C34 | 116.1° | 120.0° |
| C38 | C33 | C32 | 120.6° | 120.0° |
| C33 | C38 | H36 | 118.6° | 120.0° |
| C35 | C34 | C33 | 121.8° | 120.0° |
| C35 | C34 | H32 | 119.1° | 120.0° |
| C34 | C35 | H33 | 119.9° | 120.0° |
| N29 | C28 | C27 | 123.1° | 120.7° |
| N29 | C28 | H9 | 118.4° | 119.6° |
| O05 | C06 | N08 | 121.7° | 120.0° |
| C25 | C26 | C27 | 121.6° | 120.8° |
| C26 | C25 | C24 | 116.9° | 109.5° |
| C26 | C25 | H25 | 107.6° | 109.5° |
| C26 | C25 | H26 | 107.6° | 109.5° |
| C26 | C27 | C28 | 120.4° | 119.2° |
| C26 | C27 | H27 | 119.8° | 120.4° |
| C06 | N08 | C09 | 127.8° | 120.0° |
| C06 | N08 | H37 | 116.1° | 120.0° |
| C25 | C24 | C23 | 116.6° | 109.5° |
| C25 | C24 | H7 | 107.7° | 109.5° |
| C25 | C24 | H8 | 107.7° | 109.5° |
| C24 | C25 | H25 | 107.6° | 109.5° |
| C24 | C25 | H26 | 107.6° | 109.5° |
| C24 | C23 | N22 | 116.5° | 109.5° |
| C23 | C24 | H7 | 107.7° | 109.5° |
| C23 | C24 | H8 | 107.7° | 109.4° |
| C24 | C23 | H24 | 107.7° | 109.4° |
| C24 | C23 | H38 | 107.7° | 109.5° |
| C34 | C33 | C32 | 123.3° | 120.0° |
| C33 | C34 | H32 | 119.1° | 120.0° |
| C33 | C32 | C09 | 116.0° | 109.5° |
| C33 | C32 | H30 | 107.8° | 109.5° |
| C33 | C32 | H31 | 107.8° | 109.5° |
| C27 | C28 | H9 | 118.5° | 119.6° |
| C28 | C27 | H27 | 119.8° | 120.4° |
| N08 | C09 | C32 | 115.1° | 109.5° |
| N08 | C09 | C10 | 109.5° | 109.5° |
| N08 | C09 | H19 | 107.0° | 109.4° |
| C09 | N08 | H37 | 116.1° | 120.0° |
| C32 | C09 | C10 | 111.9° | 109.5° |
| C32 | C09 | H19 | 106.4° | 109.5° |
| C09 | C32 | H30 | 107.8° | 109.5° |
| C09 | C32 | H31 | 107.8° | 109.5° |
| C23 | N22 | C20 | 123.5° | 120.1° |
| N22 | C23 | H24 | 107.7° | 109.5° |
| N22 | C23 | H38 | 107.7° | 109.4° |
| C23 | N22 | H39 | 118.3° | 120.0° |
| C09 | C10 | S11 | 112.2° | 109.5° |
| C09 | C10 | H1 | 108.8° | 109.4° |
| C09 | C10 | H2 | 108.8° | 109.5° |
| C10 | C09 | H19 | 106.4° | 109.5° |
| N22 | C20 | C12 | 118.3° | 120.0° |
| N22 | C20 | O21 | 121.0° | 120.0° |
| C20 | N22 | H39 | 118.2° | 120.0° |
| C10 | S11 | C12 | 115.4° | 103.0° |
| S11 | C10 | H1 | 108.8° | 109.5° |
| S11 | C10 | H2 | 108.8° | 109.5° |
| C12 | C20 | O21 | 120.7° | 120.0° |
| C20 | C12 | S11 | 108.8° | 109.5° |
| C20 | C12 | C13 | 111.4° | 109.5° |
| C20 | C12 | H20 | 110.6° | 109.5° |
| S11 | C12 | C13 | 108.9° | 109.4° |
| S11 | C12 | H20 | 106.7° | 109.5° |
| C12 | C13 | C14 | 117.5° | 109.5° |
| C12 | C13 | H3 | 107.4° | 109.5° |
| C12 | C13 | H4 | 107.4° | 109.5° |
| C13 | C12 | H20 | 110.3° | 109.5° |
| C16 | C15 | C14 | 122.4° | 120.0° |
| C15 | C16 | C17 | 120.1° | 120.0° |
| C16 | C15 | H5 | 118.8° | 120.0° |
| C15 | C16 | H21 | 119.9° | 120.0° |
| C15 | C14 | C13 | 121.3° | 120.0° |
| C15 | C14 | C19 | 116.1° | 120.0° |
| C14 | C15 | H5 | 118.8° | 120.0° |
| C16 | C17 | C18 | 118.7° | 120.0° |
| C16 | C17 | H6 | 120.6° | 120.0° |
| C17 | C16 | H21 | 120.0° | 120.0° |
| C13 | C14 | C19 | 122.6° | 120.0° |
| C14 | C13 | H3 | 107.4° | 109.4° |
| C14 | C13 | H4 | 107.4° | 109.4° |
| C14 | C19 | C18 | 121.9° | 120.0° |
| C14 | C19 | H23 | 119.1° | 120.0° |
| C17 | C18 | C19 | 120.8° | 120.0° |
| C18 | C17 | H6 | 120.6° | 120.0° |
| C17 | C18 | H22 | 119.6° | 120.0° |
| C19 | C18 | H22 | 119.6° | 120.0° |
| C18 | C19 | H23 | 119.1° | 120.0° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H7 | C24 | H8 | 109.5° | 109.5° |
| H10 | C01 | H11 | 109.5° | 109.5° |
| H10 | C01 | H12 | 109.5° | 109.4° |
| H11 | C01 | H12 | 109.4° | 109.5° |
| H13 | C03 | H14 | 109.4° | 109.5° |
| H13 | C03 | H15 | 109.5° | 109.5° |
| H14 | C03 | H15 | 109.5° | 109.4° |
| H16 | C04 | H17 | 109.5° | 109.5° |
| H16 | C04 | H18 | 109.5° | 109.5° |
| H17 | C04 | H18 | 109.5° | 109.5° |
| H24 | C23 | H38 | 109.5° | 109.5° |
| H25 | C25 | H26 | 109.5° | 109.5° |
| H30 | C32 | H31 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C02 | C01 | C04 | 118.9° | 120.0° |
| C03 | C02 | C01 | O05 | 119.0° | 120.0° |
| C03 | C02 | C04 | O05 | 116.0° | 120.0° |
| C03 | C02 | O05 | C06 | 87.6° | 59.9° |
| C03 | C02 | C01 | H10 | 180.0° | 60.0° |
| C03 | C02 | C01 | H11 | 60.0° | 60.0° |
| C03 | C02 | C01 | H12 | 60.0° | 179.9° |
| C02 | C03 | H13 | H14 | 120.0° | 120.0° |
| C02 | C03 | H13 | H15 | 120.0° | 120.0° |
| C02 | C03 | H14 | H15 | 120.0° | 120.0° |
| C03 | C02 | C04 | H16 | 180.0° | 179.9° |
| C03 | C02 | C04 | H17 | 60.0° | 60.0° |
| C03 | C02 | C04 | H18 | 60.0° | 60.0° |
| C01 | C02 | C04 | O05 | 123.0° | 119.9° |
| C01 | C02 | O05 | C06 | 34.3° | 60.1° |
| C02 | C01 | H10 | H11 | 120.0° | 120.0° |
| C02 | C01 | H10 | H12 | 120.0° | 119.9° |
| C02 | C01 | H11 | H12 | 120.0° | 120.0° |
| C01 | C02 | C03 | H13 | 180.0° | 60.0° |
| C01 | C02 | C03 | H14 | 60.0° | 180.0° |
| C01 | C02 | C03 | H15 | 60.0° | 60.0° |
| C01 | C02 | C04 | H16 | 59.0° | 59.9° |
| C01 | C02 | C04 | H17 | 179.0° | 180.0° |
| C01 | C02 | C04 | H18 | 61.0° | 60.0° |
| C37 | C36 | C35 | H34 | 180.0° | 179.6° |
| C36 | C37 | C38 | H35 | 180.0° | 179.8° |
| C36 | C37 | C38 | C33 | 0.2° | 0.5° |
| C37 | C36 | C35 | C34 | 0.1° | 0.1° |
| C37 | C36 | C35 | H33 | 179.9° | 180.0° |
| C36 | C37 | C38 | H36 | 179.8° | 180.0° |
| C35 | C36 | C37 | C38 | 0.0° | 0.3° |
| C36 | C35 | C34 | H33 | 180.0° | 179.9° |
| C36 | C35 | C34 | C33 | 0.3° | 0.1° |
| C36 | C35 | C34 | H32 | 179.7° | 180.0° |
| C35 | C36 | C37 | H35 | 180.0° | 179.9° |
| C37 | C38 | C33 | H36 | 180.0° | 179.5° |
| C37 | C38 | C33 | C34 | 0.4° | 0.5° |
| C37 | C38 | C33 | C32 | 179.7° | 179.7° |
| C38 | C37 | C36 | H34 | 180.0° | 179.9° |
| C04 | C02 | O05 | C06 | 155.4° | 180.0° |
| C04 | C02 | C01 | H10 | 61.1° | 60.0° |
| C04 | C02 | C01 | H11 | 58.9° | 180.0° |
| C04 | C02 | C01 | H12 | 178.9° | 59.9° |
| C04 | C02 | C03 | H13 | 60.8° | 60.0° |
| C04 | C02 | C03 | H14 | 179.2° | 60.0° |
| C04 | C02 | C03 | H15 | 59.2° | 180.0° |
| C02 | C04 | H16 | H17 | 120.0° | 120.1° |
| C02 | C04 | H16 | H18 | 120.0° | 120.0° |
| C02 | C04 | H17 | H18 | 120.0° | 120.0° |
| C02 | O05 | C06 | O07 | 47.7° | 0.1° |
| C02 | O05 | C06 | N08 | 131.6° | 180.0° |
| O05 | C02 | C01 | H10 | 61.0° | 179.9° |
| O05 | C02 | C01 | H11 | 178.9° | 60.0° |
| O05 | C02 | C01 | H12 | 59.0° | 60.0° |
| O05 | C02 | C03 | H13 | 57.8° | 180.0° |
| O05 | C02 | C03 | H14 | 62.1° | 60.0° |
| O05 | C02 | C03 | H15 | 177.9° | 60.0° |
| O05 | C02 | C04 | H16 | 64.0° | 60.0° |
| O05 | C02 | C04 | H17 | 56.0° | 60.0° |
| O05 | C02 | C04 | H18 | 176.0° | 180.0° |
| C31 | C30 | N29 | H28 | 180.0° | 180.0° |
| C30 | C31 | C26 | H29 | 180.0° | 180.0° |
| C31 | C30 | N29 | C28 | 0.1° | 0.4° |
| C30 | C31 | C26 | C25 | 179.8° | 180.0° |
| C30 | C31 | C26 | C27 | 0.0° | 0.2° |
| N29 | C30 | C31 | C26 | 0.1° | 0.0° |
| C30 | N29 | C28 | C27 | 0.1° | 0.4° |
| C30 | N29 | C28 | H9 | 179.9° | 179.7° |
| N29 | C30 | C31 | H29 | 179.9° | 180.0° |
| C31 | C26 | C25 | C27 | 179.9° | 179.8° |
| C31 | C26 | C25 | C24 | 108.9° | 90.3° |
| C31 | C26 | C27 | C28 | 0.1° | 0.2° |
| C31 | C26 | C25 | H25 | 12.2° | 149.8° |
| C31 | C26 | C25 | H26 | 130.1° | 29.7° |
| C31 | C26 | C27 | H27 | 179.9° | 179.8° |
| C26 | C31 | C30 | H28 | 179.9° | 180.0° |
| O07 | C06 | O05 | N08 | 179.3° | 180.0° |
| O07 | C06 | N08 | C09 | 48.8° | 0.0° |
| O07 | C06 | N08 | H37 | 131.2° | 180.0° |
| C38 | C33 | C34 | C35 | 0.4° | 0.3° |
| C38 | C33 | C34 | C32 | 179.3° | 179.8° |
| C38 | C33 | C32 | C09 | 140.5° | 90.2° |
| C38 | C33 | C32 | H30 | 98.5° | 149.7° |
| C38 | C33 | C32 | H31 | 19.6° | 29.8° |
| C38 | C33 | C34 | H32 | 179.6° | 179.8° |
| C33 | C38 | C37 | H35 | 179.8° | 179.7° |
| C35 | C34 | C33 | H32 | 180.0° | 179.9° |
| C35 | C34 | C33 | C32 | 179.7° | 179.9° |
| C34 | C35 | C36 | H34 | 179.9° | 179.7° |
| N29 | C28 | C27 | C26 | 0.2° | 0.1° |
| N29 | C28 | C27 | H9 | 180.0° | 179.9° |
| N29 | C28 | C27 | H27 | 179.8° | 179.9° |
| C28 | N29 | C30 | H28 | 180.0° | 179.7° |
| O05 | C06 | N08 | C09 | 131.9° | 179.9° |
| O05 | C06 | N08 | H37 | 48.1° | 0.0° |
| C26 | C25 | C24 | H25 | 121.1° | 120.0° |
| C26 | C25 | C24 | H26 | 121.1° | 120.0° |
| C26 | C25 | C24 | C23 | 103.7° | 180.0° |
| C25 | C26 | C27 | C28 | 180.0° | 180.0° |
| C26 | C25 | C24 | H7 | 17.3° | 60.0° |
| C26 | C25 | C24 | H8 | 135.2° | 60.0° |
| C26 | C25 | H25 | H26 | 116.7° | 120.0° |
| C25 | C26 | C27 | H27 | 0.0° | 0.0° |
| C25 | C26 | C31 | H29 | 0.1° | 0.1° |
| C27 | C26 | C25 | C24 | 71.3° | 90.0° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | H9 | 179.8° | 180.0° |
| C27 | C26 | C25 | H25 | 167.7° | 30.0° |
| C27 | C26 | C25 | H26 | 49.8° | 150.0° |
| C27 | C26 | C31 | H29 | 180.0° | 179.7° |
| C06 | N08 | C09 | H37 | 180.0° | 180.0° |
| C06 | N08 | C09 | C32 | 2.0° | 60.0° |
| C06 | N08 | C09 | C10 | 129.1° | 60.0° |
| C06 | N08 | C09 | H19 | 116.0° | 180.0° |
| C25 | C24 | C23 | H7 | 121.0° | 120.0° |
| C25 | C24 | C23 | H8 | 121.0° | 120.0° |
| C25 | C24 | C23 | N22 | 92.6° | 180.0° |
| C25 | C24 | H7 | H8 | 116.8° | 120.0° |
| C25 | C24 | C23 | H24 | 146.4° | 60.0° |
| C24 | C25 | H25 | H26 | 116.6° | 120.0° |
| C25 | C24 | C23 | H38 | 28.4° | 60.0° |
| C24 | C23 | N22 | H24 | 121.0° | 120.0° |
| C24 | C23 | N22 | H38 | 121.0° | 120.1° |
| C24 | C23 | N22 | C20 | 160.4° | 180.0° |
| C23 | C24 | H7 | H8 | 116.8° | 120.0° |
| C24 | C23 | H24 | H38 | 116.8° | 120.0° |
| C23 | C24 | C25 | H25 | 135.2° | 60.0° |
| C23 | C24 | C25 | H26 | 17.4° | 60.0° |
| C24 | C23 | N22 | H39 | 19.6° | 0.0° |
| C34 | C33 | C32 | C09 | 38.7° | 90.0° |
| C34 | C33 | C32 | H30 | 82.3° | 30.0° |
| C34 | C33 | C32 | H31 | 159.6° | 150.0° |
| C33 | C34 | C35 | H33 | 179.7° | 180.0° |
| C34 | C33 | C38 | H36 | 179.6° | 179.9° |
| C33 | C32 | C09 | N08 | 77.3° | 65.0° |
| C33 | C32 | C09 | H30 | 121.0° | 120.0° |
| C33 | C32 | C09 | H31 | 120.9° | 120.0° |
| C33 | C32 | C09 | C10 | 156.9° | 175.0° |
| C33 | C32 | C09 | H19 | 41.1° | 55.0° |
| C33 | C32 | H30 | H31 | 117.0° | 120.0° |
| C32 | C33 | C34 | H32 | 0.3° | 0.0° |
| C32 | C33 | C38 | H36 | 0.3° | 0.2° |
| N08 | C09 | C32 | C10 | 125.9° | 120.0° |
| N08 | C09 | C32 | H19 | 118.4° | 120.0° |
| N08 | C09 | C10 | H19 | 115.4° | 119.9° |
| N08 | C09 | C10 | S11 | 55.7° | 65.0° |
| N08 | C09 | C10 | H1 | 176.1° | 175.0° |
| N08 | C09 | C10 | H2 | 64.7° | 55.1° |
| N08 | C09 | C32 | H30 | 161.8° | 55.0° |
| N08 | C09 | C32 | H31 | 43.7° | 175.0° |
| C32 | C09 | C10 | H19 | 115.8° | 120.0° |
| C32 | C09 | C10 | S11 | 175.4° | 175.0° |
| C32 | C09 | C10 | H1 | 55.0° | 55.0° |
| C32 | C09 | C10 | H2 | 64.2° | 65.0° |
| C09 | C32 | H30 | H31 | 117.0° | 120.0° |
| C32 | C09 | N08 | H37 | 178.0° | 120.0° |
| C23 | N22 | C20 | H39 | 180.0° | 180.0° |
| C23 | N22 | C20 | C12 | 1.1° | 180.0° |
| C23 | N22 | C20 | O21 | 178.8° | 0.0° |
| N22 | C23 | C24 | H7 | 28.4° | 60.0° |
| N22 | C23 | C24 | H8 | 146.4° | 60.0° |
| N22 | C23 | H24 | H38 | 116.8° | 120.0° |
| C09 | C10 | S11 | H1 | 120.4° | 120.0° |
| C09 | C10 | S11 | H2 | 120.4° | 120.0° |
| C09 | C10 | S11 | C12 | 62.5° | 175.2° |
| C09 | C10 | H1 | H2 | 118.7° | 120.0° |
| C10 | C09 | C32 | H30 | 35.9° | 65.0° |
| C10 | C09 | C32 | H31 | 82.2° | 55.0° |
| C10 | C09 | N08 | H37 | 50.9° | 120.0° |
| N22 | C20 | C12 | O21 | 179.8° | 180.0° |
| N22 | C20 | C12 | S11 | 103.6° | 155.0° |
| N22 | C20 | C12 | C13 | 136.4° | 85.0° |
| N22 | C20 | C12 | H20 | 13.3° | 35.0° |
| C20 | N22 | C23 | H24 | 39.4° | 60.0° |
| C20 | N22 | C23 | H38 | 78.6° | 60.0° |
| C10 | S11 | C12 | C20 | 4.1° | 172.0° |
| C10 | S11 | C12 | C13 | 125.7° | 68.0° |
| S11 | C10 | H1 | H2 | 118.7° | 120.0° |
| S11 | C10 | C09 | H19 | 59.7° | 55.0° |
| C10 | S11 | C12 | H20 | 115.2° | 52.0° |
| C20 | C12 | S11 | C13 | 121.6° | 120.0° |
| C20 | C12 | S11 | H20 | 119.3° | 120.0° |
| C20 | C12 | C13 | H20 | 123.2° | 120.0° |
| C20 | C12 | C13 | C14 | 112.5° | 65.8° |
| C20 | C12 | C13 | H3 | 8.6° | 54.2° |
| C20 | C12 | C13 | H4 | 126.3° | 174.3° |
| C12 | C20 | N22 | H39 | 178.9° | 0.0° |
| O21 | C20 | C12 | S11 | 76.6° | 25.0° |
| O21 | C20 | C12 | C13 | 43.5° | 95.0° |
| O21 | C20 | C12 | H20 | 166.6° | 145.0° |
| O21 | C20 | N22 | H39 | 1.2° | 180.0° |
| S11 | C12 | C13 | H20 | 116.8° | 120.0° |
| S11 | C12 | C13 | C14 | 127.5° | 174.2° |
| C12 | S11 | C10 | H1 | 57.9° | 55.2° |
| C12 | S11 | C10 | H2 | 177.0° | 64.8° |
| S11 | C12 | C13 | H3 | 111.3° | 65.7° |
| S11 | C12 | C13 | H4 | 6.3° | 54.3° |
| C12 | C13 | C14 | C15 | 39.2° | 95.8° |
| C12 | C13 | C14 | H3 | 121.1° | 120.1° |
| C12 | C13 | C14 | H4 | 121.2° | 120.0° |
| C12 | C13 | C14 | C19 | 140.7° | 84.1° |
| C12 | C13 | H3 | H4 | 116.3° | 120.1° |
| C16 | C15 | C14 | H5 | 180.0° | 179.8° |
| C15 | C16 | C17 | H21 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 179.8° | 180.0° |
| C16 | C15 | C14 | C19 | 0.1° | 0.1° |
| C15 | C16 | C17 | C18 | 0.4° | 0.0° |
| C15 | C16 | C17 | H6 | 179.6° | 180.0° |
| C14 | C15 | C16 | C17 | 0.2° | 0.1° |
| C15 | C14 | C13 | C19 | 179.9° | 179.9° |
| C15 | C14 | C19 | C18 | 0.2° | 0.1° |
| C15 | C14 | C13 | H3 | 160.3° | 24.3° |
| C15 | C14 | C13 | H4 | 81.9° | 144.2° |
| C14 | C15 | C16 | H21 | 179.8° | 180.0° |
| C15 | C14 | C19 | H23 | 179.8° | 179.9° |
| C16 | C17 | C18 | H6 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.5° | 0.0° |
| C17 | C16 | C15 | H5 | 179.8° | 179.8° |
| C16 | C17 | C18 | H22 | 179.6° | 180.0° |
| C13 | C14 | C19 | C18 | 179.8° | 180.0° |
| C14 | C13 | H3 | H4 | 116.4° | 119.9° |
| C13 | C14 | C15 | H5 | 0.2° | 0.2° |
| C14 | C13 | C12 | H20 | 10.7° | 54.2° |
| C13 | C14 | C19 | H23 | 0.2° | 0.1° |
| C14 | C19 | C18 | C17 | 0.3° | 0.1° |
| C14 | C19 | C18 | H23 | 180.0° | 179.9° |
| C19 | C14 | C13 | H3 | 19.6° | 155.8° |
| C19 | C14 | C13 | H4 | 98.1° | 35.9° |
| C19 | C14 | C15 | H5 | 179.9° | 179.8° |
| C14 | C19 | C18 | H22 | 179.7° | 180.0° |
| C17 | C18 | C19 | H22 | 180.0° | 179.9° |
| C18 | C17 | C16 | H21 | 179.6° | 180.0° |
| C17 | C18 | C19 | H23 | 179.7° | 179.9° |
| C19 | C18 | C17 | H6 | 179.6° | 180.0° |
| H1 | C10 | C09 | H19 | 60.7° | 65.0° |
| H2 | C10 | C09 | H19 | 179.9° | 175.0° |
| H3 | C13 | C12 | H20 | 131.9° | 174.2° |
| H4 | C13 | C12 | H20 | 110.5° | 65.7° |
| H5 | C15 | C16 | H21 | 0.2° | 0.2° |
| H6 | C17 | C16 | H21 | 0.4° | 0.0° |
| H6 | C17 | C18 | H22 | 0.4° | 0.1° |
| H7 | C24 | C23 | H24 | 92.6° | 60.0° |
| H7 | C24 | C25 | H25 | 103.8° | 180.0° |
| H7 | C24 | C25 | H26 | 138.4° | 60.0° |
| H7 | C24 | C23 | H38 | 149.4° | 180.0° |
| H8 | C24 | C23 | H24 | 25.3° | 180.0° |
| H8 | C24 | C25 | H25 | 14.2° | 60.0° |
| H8 | C24 | C25 | H26 | 103.7° | 180.0° |
| H8 | C24 | C23 | H38 | 92.6° | 60.0° |
| H9 | C28 | C27 | H27 | 0.2° | 0.0° |
| H10 | C01 | H11 | H12 | 120.0° | 120.0° |
| H13 | C03 | H14 | H15 | 120.0° | 120.0° |
| H16 | C04 | H17 | H18 | 120.0° | 120.0° |
| H19 | C09 | C32 | H30 | 79.9° | 175.0° |
| H19 | C09 | C32 | H31 | 162.0° | 65.0° |
| H19 | C09 | N08 | H37 | 64.1° | 0.0° |
| H22 | C18 | C19 | H23 | 0.3° | 0.1° |
| H24 | C23 | N22 | H39 | 140.6° | 120.0° |
| H28 | C30 | C31 | H29 | 0.1° | 0.0° |
| H32 | C34 | C35 | H33 | 0.3° | 0.1° |
| H33 | C35 | C36 | H34 | 0.1° | 0.4° |
| H34 | C36 | C37 | H35 | 0.0° | 0.3° |
| H35 | C37 | C38 | H36 | 0.2° | 0.2° |
| H38 | C23 | N22 | H39 | 101.4° | 120.1° |
