7IT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | N | sing | 1.47Å | 1.44Å | |
| N | C00 | sing | 1.47Å | 1.52Å | |
| C00 | C09 | sing | 1.51Å | 1.55Å | |
| C10 | C09 | doub | 1.38Å | 1.43Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.45Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.46Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.43Å | Aromatic |
| C08 | C07 | doub | 1.39Å | 1.43Å | Aromatic |
| C12 | C07 | sing | 1.38Å | 1.45Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.54Å | |
| C07 | C06 | sing | 1.51Å | 1.53Å | |
| C13 | N14 | sing | 1.46Å | 1.49Å | |
| C13 | C05 | sing | 1.54Å | 1.50Å | |
| N14 | C15 | sing | 1.35Å | 1.46Å | |
| F23 | C22 | sing | 1.35Å | 1.36Å | |
| C15 | O16 | doub | 1.21Å | 1.18Å | |
| C15 | C17 | sing | 1.49Å | 1.58Å | |
| O18 | C17 | doub | 1.21Å | 1.17Å | |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.42Å | Aromatic |
| C17 | N19 | sing | 1.35Å | 1.46Å | |
| C06 | C05 | sing | 1.54Å | 1.52Å | |
| C06 | C31 | sing | 1.53Å | 1.55Å | |
| N01 | C02 | doub | 1.30Å | 1.24Å | |
| C22 | C24 | sing | 1.39Å | 1.37Å | Aromatic |
| C05 | C04 | sing | 1.53Å | 1.55Å | |
| N19 | C20 | sing | 1.40Å | 1.51Å | |
| C20 | C27 | doub | 1.39Å | 1.36Å | Aromatic |
| C04 | N03 | sing | 1.46Å | 1.43Å | |
| C31 | C32 | sing | 1.53Å | 1.54Å | |
| C02 | N03 | sing | 1.37Å | 1.53Å | |
| C02 | N28 | sing | 1.37Å | 1.28Å | |
| C24 | CL25 | sing | 1.74Å | 1.81Å | |
| C24 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.41Å | Aromatic |
| C32 | C33 | sing | 1.53Å | 1.59Å | |
| O31 | C33 | sing | 1.43Å | 1.37Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C34 | O32 | sing | 1.43Å | 1.46Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.08Å | 1.08Å | |
| C26 | H4 | sing | 1.08Å | 1.08Å | |
| N | H5 | sing | 1.01Å | 1.00Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C00 | H10 | sing | 1.09Å | 1.10Å | |
| C00 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C06 | H15 | sing | 1.09Å | 1.10Å | |
| C08 | H16 | sing | 1.08Å | 1.08Å | |
| C11 | H17 | sing | 1.08Å | 1.08Å | |
| C27 | H18 | sing | 1.08Å | 1.08Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å | |
| C34 | H24 | sing | 1.09Å | 1.10Å | |
| C34 | H25 | sing | 1.09Å | 1.10Å | |
| N01 | H26 | sing | 0.97Å | 1.00Å | |
| N03 | H27 | sing | 0.97Å | 1.00Å | |
| N14 | H28 | sing | 0.97Å | 1.00Å | |
| N19 | H29 | sing | 0.97Å | 1.00Å | |
| N28 | H30 | sing | 0.97Å | 1.00Å | |
| N28 | H31 | sing | 0.97Å | 1.00Å | |
| O31 | H32 | sing | 0.97Å | 0.95Å | |
| O32 | H33 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N | C00 | 113.2° | 111.0° |
| C | N | H5 | 108.6° | 111.0° |
| N | C | H7 | 109.5° | 109.5° |
| N | C | H8 | 109.5° | 109.5° |
| N | C | H9 | 109.4° | 109.5° |
| N | C00 | C09 | 109.8° | 109.5° |
| C00 | N | H5 | 108.5° | 111.0° |
| N | C00 | H10 | 109.4° | 109.5° |
| N | C00 | H11 | 109.4° | 109.5° |
| C00 | C09 | C10 | 118.1° | 120.0° |
| C00 | C09 | C08 | 121.7° | 120.1° |
| C09 | C00 | H10 | 109.4° | 109.4° |
| C09 | C00 | H11 | 109.4° | 109.4° |
| C09 | C10 | C11 | 119.8° | 119.9° |
| C10 | C09 | C08 | 120.3° | 119.9° |
| C09 | C10 | H1 | 120.1° | 120.0° |
| C10 | C11 | C12 | 119.9° | 120.2° |
| C11 | C10 | H1 | 120.1° | 120.1° |
| C10 | C11 | H17 | 120.0° | 119.9° |
| C09 | C08 | C07 | 120.0° | 120.2° |
| C09 | C08 | H16 | 120.0° | 119.9° |
| C11 | C12 | C07 | 120.6° | 119.9° |
| C11 | C12 | C13 | 129.5° | 130.4° |
| C12 | C11 | H17 | 120.0° | 119.9° |
| C08 | C07 | C12 | 119.4° | 119.8° |
| C08 | C07 | C06 | 133.6° | 130.4° |
| C07 | C08 | H16 | 120.0° | 119.9° |
| C07 | C12 | C13 | 109.9° | 109.8° |
| C12 | C07 | C06 | 107.0° | 109.8° |
| C12 | C13 | N14 | 107.1° | 110.3° |
| C12 | C13 | C05 | 106.3° | 105.1° |
| C12 | C13 | H2 | 112.8° | 110.3° |
| C07 | C06 | C05 | 108.0° | 105.1° |
| C07 | C06 | C31 | 122.2° | 110.3° |
| C07 | C06 | H15 | 100.8° | 110.4° |
| N14 | C13 | C05 | 102.9° | 110.3° |
| C13 | N14 | C15 | 119.9° | 120.0° |
| N14 | C13 | H2 | 113.6° | 110.3° |
| C13 | N14 | H28 | 120.1° | 120.0° |
| C13 | C05 | C06 | 106.9° | 102.4° |
| C13 | C05 | C04 | 112.9° | 110.8° |
| C05 | C13 | H2 | 113.4° | 110.3° |
| C13 | C05 | H14 | 110.6° | 110.9° |
| N14 | C15 | O16 | 117.8° | 120.1° |
| N14 | C15 | C17 | 120.5° | 120.0° |
| C15 | N14 | H28 | 120.1° | 120.1° |
| F23 | C22 | C21 | 118.1° | 120.0° |
| F23 | C22 | C24 | 120.9° | 120.0° |
| O16 | C15 | C17 | 121.7° | 119.9° |
| C15 | C17 | O18 | 121.4° | 119.9° |
| C15 | C17 | N19 | 117.1° | 120.0° |
| O18 | C17 | N19 | 121.5° | 120.0° |
| C22 | C21 | C20 | 117.5° | 119.9° |
| C21 | C22 | C24 | 120.9° | 120.0° |
| C22 | C21 | H3 | 121.3° | 120.0° |
| C21 | C20 | N19 | 120.5° | 120.1° |
| C21 | C20 | C27 | 121.9° | 119.9° |
| C20 | C21 | H3 | 121.2° | 120.1° |
| C17 | N19 | C20 | 123.3° | 120.0° |
| C17 | N19 | H29 | 118.3° | 120.0° |
| C05 | C06 | C31 | 119.5° | 110.3° |
| C06 | C05 | C04 | 106.1° | 110.8° |
| C06 | C05 | H14 | 110.3° | 111.0° |
| C05 | C06 | H15 | 100.9° | 110.3° |
| C06 | C31 | C32 | 112.9° | 109.5° |
| C31 | C06 | H15 | 100.7° | 110.3° |
| C06 | C31 | H19 | 108.6° | 109.5° |
| C06 | C31 | H20 | 108.6° | 109.5° |
| N01 | C02 | N03 | 118.5° | 120.0° |
| N01 | C02 | N28 | 119.1° | 120.0° |
| C02 | N01 | H26 | 112.0° | 120.0° |
| C22 | C24 | CL25 | 119.1° | 120.0° |
| C22 | C24 | C26 | 121.5° | 120.1° |
| C05 | C04 | N03 | 112.2° | 109.5° |
| C05 | C04 | H12 | 108.8° | 109.4° |
| C05 | C04 | H13 | 108.8° | 109.5° |
| C04 | C05 | H14 | 109.9° | 110.7° |
| N19 | C20 | C27 | 117.6° | 120.1° |
| C20 | N19 | H29 | 118.3° | 120.0° |
| C20 | C27 | C26 | 120.0° | 120.0° |
| C20 | C27 | H18 | 120.0° | 120.0° |
| C04 | N03 | C02 | 115.9° | 120.0° |
| N03 | C04 | H12 | 108.8° | 109.5° |
| N03 | C04 | H13 | 108.8° | 109.5° |
| C04 | N03 | H27 | 122.0° | 120.0° |
| C31 | C32 | C33 | 114.3° | 109.5° |
| C32 | C31 | H19 | 108.6° | 109.4° |
| C32 | C31 | H20 | 108.6° | 109.5° |
| C31 | C32 | H21 | 108.2° | 109.5° |
| C31 | C32 | H22 | 108.2° | 109.5° |
| N03 | C02 | N28 | 122.4° | 120.0° |
| C02 | N03 | H27 | 122.1° | 120.0° |
| C02 | N28 | H30 | 120.0° | 120.0° |
| C02 | N28 | H31 | 120.0° | 120.0° |
| CL25 | C24 | C26 | 119.4° | 119.9° |
| C24 | C26 | C27 | 118.2° | 120.1° |
| C24 | C26 | H4 | 120.9° | 120.0° |
| C27 | C26 | H4 | 120.9° | 119.9° |
| C26 | C27 | H18 | 120.0° | 120.1° |
| C32 | C33 | O31 | 111.4° | 109.5° |
| C32 | C33 | C34 | 111.6° | 109.5° |
| C33 | C32 | H21 | 108.3° | 109.4° |
| C33 | C32 | H22 | 108.3° | 109.5° |
| C32 | C33 | H23 | 107.1° | 109.5° |
| O31 | C33 | C34 | 108.9° | 109.5° |
| O31 | C33 | H23 | 110.0° | 109.4° |
| C33 | O31 | H32 | 109.5° | 114.0° |
| C33 | C34 | O32 | 108.4° | 109.5° |
| C34 | C33 | H23 | 107.8° | 109.5° |
| C33 | C34 | H24 | 109.8° | 109.5° |
| C33 | C34 | H25 | 109.7° | 109.5° |
| O32 | C34 | H24 | 109.7° | 109.5° |
| O32 | C34 | H25 | 109.8° | 109.4° |
| C34 | O32 | H33 | 109.5° | 114.0° |
| H7 | C | H8 | 109.5° | 109.4° |
| H7 | C | H9 | 109.5° | 109.5° |
| H8 | C | H9 | 109.5° | 109.5° |
| H10 | C00 | H11 | 109.5° | 109.5° |
| H12 | C04 | H13 | 109.5° | 109.5° |
| H19 | C31 | H20 | 109.5° | 109.5° |
| H21 | C32 | H22 | 109.5° | 109.4° |
| H24 | C34 | H25 | 109.5° | 109.5° |
| H30 | N28 | H31 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | N | C00 | H5 | 120.6° | 123.9° |
| C | N | C00 | C09 | 148.8° | 180.0° |
| N | C | H7 | H8 | 120.0° | 119.9° |
| N | C | H7 | H9 | 120.0° | 120.1° |
| N | C | H8 | H9 | 120.0° | 120.0° |
| C | N | C00 | H10 | 28.7° | 60.1° |
| C | N | C00 | H11 | 91.2° | 60.0° |
| N | C00 | C09 | H10 | 120.0° | 120.0° |
| N | C00 | C09 | H11 | 120.1° | 120.0° |
| N | C00 | C09 | C10 | 36.2° | 90.0° |
| N | C00 | C09 | C08 | 143.8° | 90.0° |
| C00 | N | C | H7 | 180.0° | 59.9° |
| C00 | N | C | H8 | 60.0° | 60.0° |
| C00 | N | C | H9 | 60.0° | 180.0° |
| N | C00 | H10 | H11 | 119.9° | 120.1° |
| C00 | C09 | C10 | C08 | 180.0° | 179.9° |
| C00 | C09 | C10 | C11 | 179.8° | 180.0° |
| C00 | C09 | C08 | C07 | 180.0° | 180.0° |
| C00 | C09 | C10 | H1 | 0.1° | 0.2° |
| C09 | C00 | N | H5 | 90.7° | 56.0° |
| C09 | C00 | H10 | H11 | 119.9° | 119.9° |
| C00 | C09 | C08 | H16 | 0.0° | 0.1° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C09 | C10 | C11 | C12 | 0.7° | 0.0° |
| C10 | C09 | C08 | C07 | 0.0° | 0.1° |
| C10 | C09 | C00 | H10 | 83.8° | 30.0° |
| C10 | C09 | C00 | H11 | 156.3° | 150.0° |
| C10 | C09 | C08 | H16 | 180.0° | 179.9° |
| C09 | C10 | C11 | H17 | 179.3° | 180.0° |
| C11 | C10 | C09 | C08 | 0.2° | 0.0° |
| C10 | C11 | C12 | H17 | 180.0° | 180.0° |
| C10 | C11 | C12 | C07 | 1.7° | 0.0° |
| C10 | C11 | C12 | C13 | 179.1° | 180.0° |
| C09 | C08 | C07 | H16 | 180.0° | 179.9° |
| C09 | C08 | C07 | C12 | 1.0° | 0.1° |
| C09 | C08 | C07 | C06 | 178.7° | 180.0° |
| C08 | C09 | C10 | H1 | 179.9° | 179.7° |
| C08 | C09 | C00 | H10 | 96.2° | 150.1° |
| C08 | C09 | C00 | H11 | 23.7° | 30.1° |
| C11 | C12 | C07 | C08 | 1.9° | 0.0° |
| C11 | C12 | C07 | C13 | 177.9° | 179.9° |
| C11 | C12 | C07 | C06 | 179.9° | 179.9° |
| C11 | C12 | C13 | N14 | 78.5° | 78.2° |
| C11 | C12 | C13 | C05 | 172.1° | 162.9° |
| C12 | C11 | C10 | H1 | 179.3° | 179.7° |
| C11 | C12 | C13 | H2 | 47.2° | 43.9° |
| C08 | C07 | C12 | C06 | 178.2° | 179.9° |
| C08 | C07 | C12 | C13 | 179.8° | 179.9° |
| C08 | C07 | C06 | C05 | 170.8° | 162.9° |
| C08 | C07 | C06 | C31 | 44.6° | 78.2° |
| C08 | C07 | C06 | H15 | 65.5° | 44.0° |
| C07 | C12 | C13 | N14 | 99.2° | 101.7° |
| C07 | C12 | C13 | C05 | 10.3° | 17.2° |
| C12 | C07 | C06 | C05 | 7.0° | 17.2° |
| C12 | C07 | C06 | C31 | 137.6° | 101.7° |
| C07 | C12 | C13 | H2 | 135.1° | 136.2° |
| C12 | C07 | C06 | H15 | 112.3° | 136.1° |
| C12 | C07 | C08 | H16 | 179.0° | 179.9° |
| C07 | C12 | C11 | H17 | 178.3° | 180.0° |
| C13 | C12 | C07 | C06 | 2.0° | 0.0° |
| C12 | C13 | N14 | C05 | 111.8° | 115.7° |
| C12 | C13 | N14 | H2 | 125.2° | 122.1° |
| C12 | C13 | C05 | H2 | 124.5° | 118.9° |
| C12 | C13 | N14 | C15 | 146.2° | 89.3° |
| C12 | C13 | C05 | C06 | 14.3° | 26.4° |
| C12 | C13 | C05 | C04 | 102.0° | 91.9° |
| C12 | C13 | C05 | H14 | 134.4° | 144.8° |
| C13 | C12 | C11 | H17 | 0.8° | 0.1° |
| C12 | C13 | N14 | H28 | 33.8° | 90.7° |
| C07 | C06 | C05 | C13 | 13.4° | 26.4° |
| C07 | C06 | C05 | C31 | 145.7° | 119.0° |
| C07 | C06 | C05 | H15 | 105.2° | 119.0° |
| C07 | C06 | C31 | H15 | 110.1° | 122.2° |
| C07 | C06 | C05 | C04 | 107.3° | 91.9° |
| C07 | C06 | C31 | C32 | 139.6° | 69.2° |
| C07 | C06 | C05 | H14 | 133.6° | 144.7° |
| C06 | C07 | C08 | H16 | 1.4° | 0.2° |
| C07 | C06 | C31 | H19 | 19.1° | 50.7° |
| C07 | C06 | C31 | H20 | 99.9° | 170.7° |
| N14 | C13 | C05 | H2 | 123.1° | 122.1° |
| C13 | N14 | C15 | H28 | 180.0° | 180.0° |
| C13 | N14 | C15 | O16 | 2.8° | 0.0° |
| C13 | N14 | C15 | C17 | 177.8° | 180.0° |
| N14 | C13 | C05 | C06 | 98.1° | 92.5° |
| N14 | C13 | C05 | C04 | 145.6° | 149.2° |
| N14 | C13 | C05 | H14 | 22.0° | 25.9° |
| C05 | C13 | N14 | C15 | 102.0° | 155.0° |
| C13 | C05 | C06 | C04 | 120.7° | 118.3° |
| C13 | C05 | C06 | H14 | 120.3° | 118.3° |
| C13 | C05 | C06 | C31 | 132.4° | 92.6° |
| C13 | C05 | C04 | H14 | 123.9° | 123.4° |
| C13 | C05 | C04 | N03 | 91.4° | 66.4° |
| C13 | C05 | C04 | H12 | 29.0° | 53.6° |
| C13 | C05 | C04 | H13 | 148.2° | 173.6° |
| C13 | C05 | C06 | H15 | 118.6° | 145.4° |
| C05 | C13 | N14 | H28 | 78.0° | 25.0° |
| N14 | C15 | O16 | C17 | 179.3° | 180.0° |
| N14 | C15 | C17 | O18 | 0.1° | 0.1° |
| N14 | C15 | C17 | N19 | 180.0° | 180.0° |
| C15 | N14 | C13 | H2 | 21.0° | 32.9° |
| F23 | C22 | C21 | C24 | 179.8° | 179.9° |
| F23 | C22 | C21 | C20 | 179.2° | 180.0° |
| F23 | C22 | C24 | CL25 | 0.3° | 0.0° |
| F23 | C22 | C24 | C26 | 179.9° | 180.0° |
| F23 | C22 | C21 | H3 | 0.8° | 0.0° |
| O16 | C15 | C17 | O18 | 179.4° | 180.0° |
| O16 | C15 | C17 | N19 | 0.7° | 0.0° |
| O16 | C15 | N14 | H28 | 177.2° | 180.0° |
| C15 | C17 | O18 | N19 | 180.0° | 179.9° |
| C15 | C17 | N19 | C20 | 178.7° | 175.4° |
| C17 | C15 | N14 | H28 | 2.1° | 0.0° |
| C15 | C17 | N19 | H29 | 1.3° | 4.6° |
| O18 | C17 | N19 | C20 | 1.3° | 4.6° |
| O18 | C17 | N19 | H29 | 178.7° | 175.3° |
| C22 | C21 | C20 | H3 | 180.0° | 180.0° |
| C22 | C21 | C20 | N19 | 179.0° | 179.8° |
| C22 | C21 | C20 | C27 | 1.4° | 0.0° |
| C21 | C22 | C24 | CL25 | 179.9° | 180.0° |
| C21 | C22 | C24 | C26 | 0.1° | 0.0° |
| C21 | C20 | N19 | C17 | 38.8° | 35.3° |
| C20 | C21 | C22 | C24 | 0.6° | 0.1° |
| C21 | C20 | N19 | C27 | 177.7° | 179.8° |
| C21 | C20 | C27 | C26 | 1.5° | 0.1° |
| C21 | C20 | C27 | H18 | 178.5° | 180.0° |
| C21 | C20 | N19 | H29 | 141.3° | 144.6° |
| C17 | N19 | C20 | H29 | 180.0° | 179.9° |
| C17 | N19 | C20 | C27 | 138.9° | 144.9° |
| C05 | C06 | C31 | H15 | 109.2° | 122.0° |
| C06 | C05 | C04 | H14 | 119.3° | 123.6° |
| C06 | C05 | C04 | N03 | 151.8° | 179.4° |
| C05 | C06 | C31 | C32 | 79.6° | 175.0° |
| C06 | C05 | C13 | H2 | 138.7° | 145.3° |
| C06 | C05 | C04 | H12 | 87.7° | 59.4° |
| C06 | C05 | C04 | H13 | 31.5° | 60.6° |
| C05 | C06 | C31 | H19 | 159.8° | 65.0° |
| C05 | C06 | C31 | H20 | 40.9° | 55.0° |
| C31 | C06 | C05 | C04 | 106.9° | 149.2° |
| C06 | C31 | C32 | H19 | 120.5° | 120.0° |
| C06 | C31 | C32 | H20 | 120.5° | 120.1° |
| C06 | C31 | C32 | C33 | 169.9° | 180.0° |
| C31 | C06 | C05 | H14 | 12.1° | 25.8° |
| C06 | C31 | H19 | H20 | 118.4° | 120.1° |
| C06 | C31 | C32 | H21 | 49.2° | 60.0° |
| C06 | C31 | C32 | H22 | 69.3° | 60.0° |
| N01 | C02 | N03 | C04 | 0.2° | 180.0° |
| N01 | C02 | N03 | N28 | 179.9° | 179.9° |
| N01 | C02 | N03 | H27 | 179.8° | 0.0° |
| N01 | C02 | N28 | H30 | 179.8° | 180.0° |
| N01 | C02 | N28 | H31 | 0.1° | 0.1° |
| C22 | C24 | CL25 | C26 | 179.8° | 180.0° |
| C22 | C24 | C26 | C27 | 0.0° | 0.0° |
| C24 | C22 | C21 | H3 | 179.4° | 179.9° |
| C22 | C24 | C26 | H4 | 179.9° | 180.0° |
| C05 | C04 | N03 | H12 | 120.4° | 120.0° |
| C05 | C04 | N03 | H13 | 120.4° | 120.0° |
| C05 | C04 | N03 | C02 | 108.5° | 180.0° |
| C04 | C05 | C13 | H2 | 22.4° | 27.0° |
| C05 | C04 | H12 | H13 | 118.8° | 120.0° |
| C04 | C05 | C06 | H15 | 2.1° | 27.1° |
| C05 | C04 | N03 | H27 | 71.5° | 0.0° |
| N19 | C20 | C27 | C26 | 179.2° | 179.8° |
| N19 | C20 | C21 | H3 | 1.0° | 0.2° |
| N19 | C20 | C27 | H18 | 0.8° | 0.2° |
| C20 | C27 | C26 | C24 | 0.8° | 0.1° |
| C20 | C27 | C26 | H18 | 180.0° | 179.9° |
| C27 | C20 | C21 | H3 | 178.6° | 180.0° |
| C20 | C27 | C26 | H4 | 179.3° | 179.9° |
| C27 | C20 | N19 | H29 | 41.0° | 35.1° |
| C04 | N03 | C02 | H27 | 180.0° | 180.0° |
| C04 | N03 | C02 | N28 | 179.9° | 0.0° |
| N03 | C04 | H12 | H13 | 118.7° | 120.0° |
| N03 | C04 | C05 | H14 | 32.5° | 57.0° |
| C31 | C32 | C33 | H21 | 120.7° | 120.0° |
| C31 | C32 | C33 | H22 | 120.7° | 120.1° |
| C31 | C32 | C33 | O31 | 65.3° | 65.0° |
| C31 | C32 | C33 | C34 | 172.7° | 175.0° |
| C32 | C31 | C06 | H15 | 29.5° | 53.0° |
| C32 | C31 | H19 | H20 | 118.4° | 120.0° |
| C31 | C32 | H21 | H22 | 117.8° | 120.0° |
| C31 | C32 | C33 | H23 | 55.1° | 55.0° |
| C02 | N03 | C04 | H12 | 11.9° | 60.0° |
| C02 | N03 | C04 | H13 | 131.1° | 60.0° |
| N03 | C02 | N01 | H26 | 179.8° | 180.0° |
| N03 | C02 | N28 | H30 | 0.0° | 0.1° |
| N03 | C02 | N28 | H31 | 180.0° | 180.0° |
| N28 | C02 | N01 | H26 | 0.0° | 0.1° |
| N28 | C02 | N03 | H27 | 0.1° | 179.9° |
| C02 | N28 | H30 | H31 | 180.0° | 179.9° |
| CL25 | C24 | C26 | C27 | 179.9° | 179.9° |
| CL25 | C24 | C26 | H4 | 0.1° | 0.0° |
| C24 | C26 | C27 | H4 | 180.0° | 180.0° |
| C24 | C26 | C27 | H18 | 179.3° | 180.0° |
| C32 | C33 | O31 | C34 | 123.5° | 120.0° |
| C32 | C33 | O31 | H23 | 118.6° | 120.0° |
| C32 | C33 | C34 | H23 | 117.3° | 120.0° |
| C32 | C33 | C34 | O32 | 163.5° | 175.0° |
| C33 | C32 | C31 | H19 | 69.5° | 60.0° |
| C33 | C32 | C31 | H20 | 49.4° | 59.9° |
| C33 | C32 | H21 | H22 | 117.8° | 119.9° |
| C32 | C33 | C34 | H24 | 43.6° | 55.0° |
| C32 | C33 | C34 | H25 | 76.7° | 65.0° |
| C32 | C33 | O31 | H32 | 180.0° | 60.0° |
| O31 | C33 | C34 | H23 | 119.3° | 119.9° |
| O31 | C33 | C34 | O32 | 73.1° | 65.0° |
| O31 | C33 | C32 | H21 | 174.0° | 175.0° |
| O31 | C33 | C32 | H22 | 55.5° | 55.1° |
| O31 | C33 | C34 | H24 | 167.0° | 175.0° |
| O31 | C33 | C34 | H25 | 46.7° | 55.0° |
| C33 | C34 | O32 | H24 | 119.8° | 120.0° |
| C33 | C34 | O32 | H25 | 119.8° | 120.0° |
| C34 | C33 | C32 | H21 | 52.0° | 55.0° |
| C34 | C33 | C32 | H22 | 66.5° | 65.0° |
| C33 | C34 | H24 | H25 | 120.5° | 120.1° |
| C34 | C33 | O31 | H32 | 56.5° | 60.0° |
| C33 | C34 | O32 | H33 | 180.0° | 180.0° |
| O32 | C34 | C33 | H23 | 46.2° | 55.0° |
| O32 | C34 | H24 | H25 | 120.5° | 119.9° |
| H1 | C10 | C11 | H17 | 0.7° | 0.3° |
| H2 | C13 | C05 | H14 | 101.1° | 96.3° |
| H2 | C13 | N14 | H28 | 159.0° | 147.2° |
| H4 | C26 | C27 | H18 | 0.7° | 0.0° |
| H5 | N | C | H7 | 59.5° | 64.0° |
| H5 | N | C | H8 | 60.5° | 176.0° |
| H5 | N | C | H9 | 179.5° | 56.0° |
| H5 | N | C00 | H10 | 149.3° | 176.0° |
| H5 | N | C00 | H11 | 29.4° | 64.0° |
| H7 | C | H8 | H9 | 120.0° | 120.0° |
| H12 | C04 | C05 | H14 | 153.0° | 177.0° |
| H12 | C04 | N03 | H27 | 168.1° | 120.0° |
| H13 | C04 | C05 | H14 | 87.9° | 63.0° |
| H13 | C04 | N03 | H27 | 48.9° | 120.0° |
| H14 | C05 | C06 | H15 | 121.1° | 96.3° |
| H15 | C06 | C31 | H19 | 91.0° | 172.9° |
| H15 | C06 | C31 | H20 | 150.0° | 67.0° |
| H19 | C31 | C32 | H21 | 169.8° | 180.0° |
| H19 | C31 | C32 | H22 | 51.2° | 60.0° |
| H20 | C31 | C32 | H21 | 71.3° | 60.0° |
| H20 | C31 | C32 | H22 | 170.1° | 180.0° |
| H21 | C32 | C33 | H23 | 65.6° | 65.0° |
| H22 | C32 | C33 | H23 | 175.8° | 175.0° |
| H23 | C33 | C34 | H24 | 73.6° | 65.0° |
| H23 | C33 | C34 | H25 | 166.0° | 174.9° |
| H23 | C33 | O31 | H32 | 61.4° | 180.0° |
| H24 | C34 | O32 | H33 | 60.2° | 60.0° |
| H25 | C34 | O32 | H33 | 60.2° | 60.0° |
