PRD_001230
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| O16 | C14 | sing | 1.43Å | 1.44Å | |
| C2 | C4 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| O17 | C6 | doub | 1.21Å | 1.21Å | |
| C14 | C8 | sing | 1.53Å | 1.55Å | |
| C6 | C5 | sing | 1.51Å | 1.53Å | |
| C6 | N7 | sing | 1.35Å | 1.36Å | |
| C22 | C21 | sing | 1.53Å | 1.54Å | |
| C5 | N18 | sing | 1.47Å | 1.48Å | |
| C8 | N7 | sing | 1.46Å | 1.50Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| N18 | C19 | sing | 1.35Å | 1.36Å | |
| C23 | C21 | sing | 1.53Å | 1.55Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C19 | O25 | doub | 1.21Å | 1.21Å | |
| C20 | N24 | sing | 1.47Å | 1.49Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | N13 | sing | 1.47Å | 1.47Å | |
| C15 | CL1 | sing | 1.80Å | 1.38Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| N7 | H21 | sing | 0.97Å | 1.00Å | |
| N13 | H22 | sing | 1.01Å | 1.00Å | |
| N13 | H23 | sing | 1.01Å | 1.00Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| O16 | H27 | sing | 0.97Å | 0.95Å | |
| N18 | H28 | sing | 0.97Å | 1.00Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| N24 | H37 | sing | 1.01Å | 1.00Å | |
| N24 | H38 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C4 | 105.7° | 109.5° |
| C3 | C2 | C1 | 106.6° | 109.5° |
| C2 | C3 | H14 | 109.5° | 109.5° |
| C2 | C3 | H15 | 109.5° | 109.4° |
| C2 | C3 | H16 | 109.5° | 109.4° |
| C3 | C2 | H20 | 109.3° | 109.5° |
| C15 | C14 | O16 | 109.3° | 109.5° |
| C15 | C14 | C8 | 111.8° | 109.4° |
| C14 | C15 | CL1 | 137.5° | 109.5° |
| C15 | C14 | H3 | 108.7° | 109.4° |
| C14 | C15 | H25 | 102.1° | 109.5° |
| C14 | C15 | H26 | 102.1° | 109.5° |
| O16 | C14 | C8 | 108.3° | 109.5° |
| O16 | C14 | H3 | 110.1° | 109.5° |
| C14 | O16 | H27 | 109.5° | 114.0° |
| C4 | C2 | C1 | 117.2° | 109.4° |
| C2 | C4 | C5 | 118.6° | 109.5° |
| C2 | C4 | H1 | 107.1° | 109.5° |
| C2 | C4 | H2 | 107.1° | 109.5° |
| C4 | C2 | H20 | 108.9° | 109.4° |
| C2 | C1 | H17 | 109.5° | 109.5° |
| C2 | C1 | H18 | 109.4° | 109.5° |
| C2 | C1 | H19 | 109.5° | 109.4° |
| C1 | C2 | H20 | 108.9° | 109.4° |
| C4 | C5 | C6 | 110.8° | 109.4° |
| C4 | C5 | N18 | 104.0° | 109.5° |
| C5 | C4 | H1 | 107.2° | 109.4° |
| C5 | C4 | H2 | 107.1° | 109.4° |
| C4 | C5 | H4 | 108.3° | 109.4° |
| O17 | C6 | C5 | 121.3° | 119.9° |
| O17 | C6 | N7 | 118.0° | 120.0° |
| C14 | C8 | N7 | 114.4° | 109.5° |
| C14 | C8 | C9 | 109.4° | 109.5° |
| C8 | C14 | H3 | 108.6° | 109.5° |
| C14 | C8 | H7 | 105.6° | 109.5° |
| C5 | C6 | N7 | 120.7° | 120.1° |
| C6 | C5 | N18 | 116.0° | 109.5° |
| C6 | C5 | H4 | 108.4° | 109.5° |
| C6 | N7 | C8 | 123.5° | 120.0° |
| C6 | N7 | H21 | 118.3° | 120.0° |
| C22 | C21 | C23 | 108.6° | 109.5° |
| C22 | C21 | C20 | 111.4° | 109.5° |
| C22 | C21 | H30 | 107.9° | 109.5° |
| C21 | C22 | H31 | 109.5° | 109.4° |
| C21 | C22 | H32 | 109.5° | 109.4° |
| C21 | C22 | H33 | 109.4° | 109.5° |
| C5 | N18 | C19 | 125.5° | 120.0° |
| N18 | C5 | H4 | 109.0° | 109.5° |
| C5 | N18 | H28 | 117.2° | 120.0° |
| N7 | C8 | C9 | 114.8° | 109.5° |
| N7 | C8 | H7 | 106.1° | 109.4° |
| C8 | N7 | H21 | 118.2° | 120.0° |
| C8 | C9 | C10 | 112.7° | 109.5° |
| C9 | C8 | H7 | 105.6° | 109.4° |
| C8 | C9 | H8 | 108.6° | 109.4° |
| C8 | C9 | H9 | 108.7° | 109.5° |
| N18 | C19 | C20 | 121.1° | 120.0° |
| N18 | C19 | O25 | 122.5° | 120.0° |
| C19 | N18 | H28 | 117.2° | 120.0° |
| C23 | C21 | C20 | 113.2° | 109.4° |
| C23 | C21 | H30 | 107.8° | 109.5° |
| C21 | C23 | H34 | 109.5° | 109.5° |
| C21 | C23 | H35 | 109.5° | 109.5° |
| C21 | C23 | H36 | 109.4° | 109.4° |
| C21 | C20 | C19 | 113.5° | 109.5° |
| C21 | C20 | N24 | 117.7° | 109.5° |
| C21 | C20 | H29 | 103.1° | 109.5° |
| C20 | C21 | H30 | 107.8° | 109.5° |
| C9 | C10 | C11 | 112.7° | 109.5° |
| C10 | C9 | H8 | 108.7° | 109.4° |
| C10 | C9 | H9 | 108.7° | 109.5° |
| C9 | C10 | H10 | 108.7° | 109.5° |
| C9 | C10 | H11 | 108.7° | 109.5° |
| C20 | C19 | O25 | 116.4° | 119.9° |
| C19 | C20 | N24 | 113.1° | 109.5° |
| C19 | C20 | H29 | 103.4° | 109.4° |
| N24 | C20 | H29 | 103.6° | 109.5° |
| C20 | N24 | H37 | 109.5° | 111.0° |
| C20 | N24 | H38 | 109.5° | 111.0° |
| C10 | C11 | C12 | 108.0° | 109.5° |
| C10 | C11 | H5 | 109.9° | 109.5° |
| C10 | C11 | H6 | 109.8° | 109.5° |
| C11 | C10 | H10 | 108.7° | 109.5° |
| C11 | C10 | H11 | 108.7° | 109.5° |
| C11 | C12 | N13 | 112.1° | 109.5° |
| C12 | C11 | H5 | 109.8° | 109.5° |
| C12 | C11 | H6 | 109.8° | 109.5° |
| C11 | C12 | H12 | 108.8° | 109.4° |
| C11 | C12 | H13 | 108.8° | 109.5° |
| N13 | C12 | H12 | 108.8° | 109.4° |
| N13 | C12 | H13 | 108.8° | 109.5° |
| C12 | N13 | H22 | 109.5° | 111.0° |
| C12 | N13 | H23 | 109.5° | 111.0° |
| CL1 | C15 | H25 | 102.1° | 109.5° |
| CL1 | C15 | H26 | 102.1° | 109.5° |
| H1 | C4 | H2 | 109.4° | 109.5° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H8 | C9 | H9 | 109.5° | 109.5° |
| H10 | C10 | H11 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.6° |
| H14 | C3 | H15 | 109.5° | 109.5° |
| H14 | C3 | H16 | 109.5° | 109.5° |
| H15 | C3 | H16 | 109.4° | 109.4° |
| H17 | C1 | H18 | 109.5° | 109.5° |
| H17 | C1 | H19 | 109.5° | 109.5° |
| H18 | C1 | H19 | 109.5° | 109.4° |
| H22 | N13 | H23 | 109.4° | 111.0° |
| H25 | C15 | H26 | 109.5° | 109.5° |
| H31 | C22 | H32 | 109.4° | 109.5° |
| H31 | C22 | H33 | 109.5° | 109.4° |
| H32 | C22 | H33 | 109.5° | 109.5° |
| H34 | C23 | H35 | 109.5° | 109.5° |
| H34 | C23 | H36 | 109.5° | 109.4° |
| H35 | C23 | H36 | 109.5° | 109.4° |
| H37 | N24 | H38 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C4 | C1 | 118.5° | 120.0° |
| C3 | C2 | C4 | H20 | 117.3° | 120.1° |
| C3 | C2 | C1 | H20 | 117.8° | 120.1° |
| C3 | C2 | C4 | C5 | 145.9° | 66.1° |
| C3 | C2 | C4 | H1 | 92.7° | 53.8° |
| C3 | C2 | C4 | H2 | 24.6° | 173.9° |
| C2 | C3 | H14 | H15 | 120.0° | 120.0° |
| C2 | C3 | H14 | H16 | 120.0° | 120.0° |
| C2 | C3 | H15 | H16 | 120.0° | 119.9° |
| C3 | C2 | C1 | H17 | 180.0° | 180.0° |
| C3 | C2 | C1 | H18 | 60.0° | 59.9° |
| C3 | C2 | C1 | H19 | 60.0° | 60.0° |
| C15 | C14 | O16 | C8 | 122.0° | 120.0° |
| C15 | C14 | O16 | H3 | 119.3° | 120.0° |
| C15 | C14 | C8 | H3 | 120.0° | 119.9° |
| C15 | C14 | C8 | N7 | 29.3° | 60.0° |
| C15 | C14 | C8 | C9 | 159.7° | 180.0° |
| C14 | C15 | CL1 | H25 | 123.4° | 120.0° |
| C14 | C15 | CL1 | H26 | 123.4° | 120.0° |
| C15 | C14 | C8 | H7 | 87.0° | 60.0° |
| C14 | C15 | H25 | H26 | 107.6° | 120.0° |
| C15 | C14 | O16 | H27 | 180.0° | 180.0° |
| O16 | C14 | C8 | H3 | 119.5° | 120.1° |
| O16 | C14 | C8 | N7 | 149.8° | 180.0° |
| O16 | C14 | C8 | C9 | 79.8° | 59.9° |
| O16 | C14 | C15 | CL1 | 150.1° | 65.0° |
| O16 | C14 | C8 | H7 | 33.5° | 60.0° |
| O16 | C14 | C15 | H25 | 86.5° | 175.0° |
| O16 | C14 | C15 | H26 | 26.7° | 55.0° |
| C4 | C2 | C1 | H20 | 124.2° | 119.9° |
| C2 | C4 | C5 | H1 | 121.3° | 120.0° |
| C2 | C4 | C5 | H2 | 121.3° | 120.1° |
| C2 | C4 | C5 | C6 | 110.4° | 62.2° |
| C2 | C4 | C5 | N18 | 124.2° | 177.8° |
| C2 | C4 | H1 | H2 | 115.9° | 120.1° |
| C2 | C4 | C5 | H4 | 8.4° | 57.7° |
| C4 | C2 | C3 | H14 | 180.0° | 63.4° |
| C4 | C2 | C3 | H15 | 60.0° | 176.6° |
| C4 | C2 | C3 | H16 | 60.0° | 56.7° |
| C4 | C2 | C1 | H17 | 62.0° | 60.0° |
| C4 | C2 | C1 | H18 | 58.0° | 180.0° |
| C4 | C2 | C1 | H19 | 178.0° | 60.0° |
| C1 | C2 | C4 | C5 | 27.4° | 173.9° |
| C1 | C2 | C4 | H1 | 148.8° | 66.2° |
| C1 | C2 | C4 | H2 | 93.9° | 53.9° |
| C1 | C2 | C3 | H14 | 54.6° | 56.6° |
| C1 | C2 | C3 | H15 | 65.4° | 63.5° |
| C1 | C2 | C3 | H16 | 174.6° | 176.6° |
| C2 | C1 | H17 | H18 | 120.0° | 120.0° |
| C2 | C1 | H17 | H19 | 120.0° | 120.0° |
| C2 | C1 | H18 | H19 | 120.0° | 119.9° |
| C4 | C5 | C6 | O17 | 61.1° | 97.9° |
| C4 | C5 | C6 | N18 | 118.3° | 120.0° |
| C4 | C5 | C6 | H4 | 118.7° | 119.9° |
| C4 | C5 | C6 | N7 | 117.9° | 82.1° |
| C4 | C5 | N18 | H4 | 115.4° | 120.0° |
| C4 | C5 | N18 | C19 | 172.9° | 87.7° |
| C5 | C4 | H1 | H2 | 115.9° | 119.9° |
| C5 | C4 | C2 | H20 | 96.8° | 53.9° |
| C4 | C5 | N18 | H28 | 7.1° | 92.4° |
| O17 | C6 | C5 | N7 | 179.1° | 180.0° |
| O17 | C6 | C5 | N18 | 57.1° | 22.1° |
| O17 | C6 | N7 | C8 | 0.8° | 5.6° |
| O17 | C6 | C5 | H4 | 179.9° | 142.2° |
| O17 | C6 | N7 | H21 | 179.2° | 174.3° |
| C14 | C8 | N7 | C6 | 104.7° | 85.0° |
| C14 | C8 | N7 | C9 | 127.7° | 120.0° |
| C14 | C8 | N7 | H7 | 116.0° | 120.0° |
| C14 | C8 | C9 | H7 | 113.2° | 120.0° |
| C14 | C8 | C9 | C10 | 175.0° | 175.0° |
| C8 | C14 | C15 | CL1 | 90.0° | 175.0° |
| C14 | C8 | C9 | H8 | 54.5° | 65.1° |
| C14 | C8 | C9 | H9 | 64.5° | 55.0° |
| C14 | C8 | N7 | H21 | 75.3° | 95.0° |
| C8 | C14 | C15 | H25 | 33.4° | 55.0° |
| C8 | C14 | C15 | H26 | 146.6° | 65.0° |
| C8 | C14 | O16 | H27 | 57.9° | 60.0° |
| C6 | C5 | N18 | H4 | 122.6° | 120.0° |
| C5 | C6 | N7 | C8 | 179.9° | 174.4° |
| C6 | C5 | N18 | C19 | 50.9° | 152.3° |
| C6 | C5 | C4 | H1 | 10.9° | 177.8° |
| C6 | C5 | C4 | H2 | 128.3° | 57.9° |
| C5 | C6 | N7 | H21 | 0.1° | 5.7° |
| C6 | C5 | N18 | H28 | 129.0° | 27.6° |
| N7 | C6 | C5 | N18 | 123.8° | 157.9° |
| C6 | N7 | C8 | H21 | 180.0° | 179.9° |
| C6 | N7 | C8 | C9 | 127.6° | 155.0° |
| N7 | C6 | C5 | H4 | 0.8° | 37.8° |
| C6 | N7 | C8 | H7 | 11.4° | 35.0° |
| C22 | C21 | C23 | C20 | 124.2° | 120.0° |
| C22 | C21 | C23 | H30 | 116.6° | 120.0° |
| C22 | C21 | C20 | H30 | 118.2° | 120.0° |
| C22 | C21 | C20 | C19 | 80.1° | 63.3° |
| C22 | C21 | C20 | N24 | 55.4° | 56.7° |
| C22 | C21 | C20 | H29 | 168.7° | 176.8° |
| C21 | C22 | H31 | H32 | 120.0° | 120.0° |
| C21 | C22 | H31 | H33 | 120.0° | 120.0° |
| C21 | C22 | H32 | H33 | 120.0° | 120.0° |
| C22 | C21 | C23 | H34 | 180.0° | 180.0° |
| C22 | C21 | C23 | H35 | 60.0° | 59.9° |
| C22 | C21 | C23 | H36 | 60.0° | 60.0° |
| C5 | N18 | C19 | H28 | 180.0° | 179.9° |
| C5 | N18 | C19 | C20 | 178.1° | 174.6° |
| C5 | N18 | C19 | O25 | 2.5° | 5.4° |
| N18 | C5 | C4 | H1 | 114.4° | 57.7° |
| N18 | C5 | C4 | H2 | 2.9° | 62.2° |
| N7 | C8 | C9 | H7 | 116.6° | 120.0° |
| N7 | C8 | C9 | C10 | 44.8° | 64.9° |
| N7 | C8 | C14 | H3 | 90.7° | 59.9° |
| N7 | C8 | C9 | H8 | 75.7° | 55.0° |
| N7 | C8 | C9 | H9 | 165.3° | 175.0° |
| C8 | C9 | C10 | H8 | 120.5° | 119.9° |
| C8 | C9 | C10 | H9 | 120.5° | 120.1° |
| C8 | C9 | C10 | C11 | 94.2° | 179.9° |
| C9 | C8 | C14 | H3 | 39.8° | 60.1° |
| C8 | C9 | H8 | H9 | 118.5° | 120.1° |
| C8 | C9 | C10 | H10 | 26.3° | 59.9° |
| C8 | C9 | C10 | H11 | 145.3° | 60.0° |
| C9 | C8 | N7 | H21 | 52.4° | 25.1° |
| N18 | C19 | C20 | C21 | 92.0° | 84.3° |
| N18 | C19 | C20 | O25 | 179.4° | 180.0° |
| N18 | C19 | C20 | N24 | 45.6° | 155.7° |
| C19 | N18 | C5 | H4 | 71.7° | 32.3° |
| N18 | C19 | C20 | H29 | 157.0° | 35.7° |
| C23 | C21 | C20 | H30 | 119.1° | 120.0° |
| C23 | C21 | C20 | C19 | 42.5° | 176.7° |
| C23 | C21 | C20 | N24 | 178.0° | 63.3° |
| C23 | C21 | C20 | H29 | 68.6° | 56.7° |
| C23 | C21 | C22 | H31 | 180.0° | 55.2° |
| C23 | C21 | C22 | H32 | 60.0° | 64.8° |
| C23 | C21 | C22 | H33 | 60.0° | 175.2° |
| C21 | C23 | H34 | H35 | 120.0° | 120.1° |
| C21 | C23 | H34 | H36 | 120.0° | 120.0° |
| C21 | C23 | H35 | H36 | 120.0° | 119.9° |
| C21 | C20 | C19 | N24 | 137.6° | 120.0° |
| C21 | C20 | C19 | H29 | 111.0° | 120.0° |
| C21 | C20 | C19 | O25 | 87.4° | 95.7° |
| C21 | C20 | N24 | H29 | 113.0° | 120.1° |
| C20 | C21 | C22 | H31 | 54.7° | 64.8° |
| C20 | C21 | C22 | H32 | 174.7° | 175.2° |
| C20 | C21 | C22 | H33 | 65.3° | 55.2° |
| C20 | C21 | C23 | H34 | 55.8° | 59.9° |
| C20 | C21 | C23 | H35 | 64.2° | 179.9° |
| C20 | C21 | C23 | H36 | 175.8° | 60.0° |
| C21 | C20 | N24 | H37 | 180.0° | 59.9° |
| C21 | C20 | N24 | H38 | 60.0° | 176.1° |
| C9 | C10 | C11 | H10 | 120.5° | 120.0° |
| C9 | C10 | C11 | H11 | 120.5° | 120.0° |
| C9 | C10 | C11 | C12 | 161.7° | 180.0° |
| C9 | C10 | C11 | H5 | 78.5° | 60.0° |
| C9 | C10 | C11 | H6 | 42.0° | 60.0° |
| C10 | C9 | C8 | H7 | 71.7° | 55.0° |
| C10 | C9 | H8 | H9 | 118.6° | 120.0° |
| C9 | C10 | H10 | H11 | 118.5° | 120.0° |
| C19 | C20 | N24 | H29 | 111.3° | 119.9° |
| C20 | C19 | N18 | H28 | 1.9° | 5.3° |
| C19 | C20 | C21 | H30 | 161.7° | 56.7° |
| C19 | C20 | N24 | H37 | 44.4° | 60.1° |
| C19 | C20 | N24 | H38 | 164.3° | 63.9° |
| O25 | C19 | C20 | N24 | 135.0° | 24.4° |
| O25 | C19 | N18 | H28 | 177.5° | 174.7° |
| O25 | C19 | C20 | H29 | 23.6° | 144.3° |
| N24 | C20 | C21 | H30 | 62.8° | 176.7° |
| C20 | N24 | H37 | H38 | 120.0° | 124.0° |
| C10 | C11 | C12 | H5 | 119.8° | 120.0° |
| C10 | C11 | C12 | H6 | 119.8° | 120.0° |
| C10 | C11 | C12 | N13 | 154.2° | 180.0° |
| C10 | C11 | H5 | H6 | 120.7° | 120.0° |
| C11 | C10 | C9 | H8 | 145.3° | 60.0° |
| C11 | C10 | C9 | H9 | 26.3° | 60.0° |
| C11 | C10 | H10 | H11 | 118.5° | 120.0° |
| C10 | C11 | C12 | H12 | 85.4° | 60.0° |
| C10 | C11 | C12 | H13 | 33.8° | 60.0° |
| C11 | C12 | N13 | H12 | 120.4° | 119.9° |
| C11 | C12 | N13 | H13 | 120.4° | 120.0° |
| C12 | C11 | H5 | H6 | 120.7° | 120.0° |
| C12 | C11 | C10 | H10 | 41.3° | 60.0° |
| C12 | C11 | C10 | H11 | 77.8° | 60.0° |
| C11 | C12 | H12 | H13 | 118.8° | 120.0° |
| C11 | C12 | N13 | H22 | 180.0° | 56.0° |
| C11 | C12 | N13 | H23 | 60.0° | 180.0° |
| N13 | C12 | C11 | H5 | 34.4° | 60.0° |
| N13 | C12 | C11 | H6 | 86.1° | 59.9° |
| N13 | C12 | H12 | H13 | 118.8° | 120.1° |
| C12 | N13 | H22 | H23 | 120.0° | 123.9° |
| CL1 | C15 | C14 | H3 | 29.9° | 55.0° |
| CL1 | C15 | H25 | H26 | 107.6° | 120.0° |
| H1 | C4 | C5 | H4 | 129.7° | 62.3° |
| H1 | C4 | C2 | H20 | 24.6° | 173.9° |
| H2 | C4 | C5 | H4 | 112.9° | 177.8° |
| H2 | C4 | C2 | H20 | 141.9° | 66.1° |
| H3 | C14 | C8 | H7 | 153.0° | 179.9° |
| H3 | C14 | C15 | H25 | 153.3° | 65.0° |
| H3 | C14 | C15 | H26 | 93.5° | 175.0° |
| H3 | C14 | O16 | H27 | 60.7° | 60.1° |
| H4 | C5 | N18 | H28 | 108.3° | 147.6° |
| H5 | C11 | C10 | H10 | 161.0° | 60.0° |
| H5 | C11 | C10 | H11 | 41.9° | 180.0° |
| H5 | C11 | C12 | H12 | 154.8° | 180.0° |
| H5 | C11 | C12 | H13 | 86.0° | 60.0° |
| H6 | C11 | C10 | H10 | 78.5° | 180.0° |
| H6 | C11 | C10 | H11 | 162.4° | 60.0° |
| H6 | C11 | C12 | H12 | 34.4° | 60.0° |
| H6 | C11 | C12 | H13 | 153.6° | 180.0° |
| H7 | C8 | C9 | H8 | 167.8° | 174.9° |
| H7 | C8 | C9 | H9 | 48.8° | 65.0° |
| H7 | C8 | N7 | H21 | 168.6° | 145.0° |
| H8 | C9 | C10 | H10 | 94.2° | 60.0° |
| H8 | C9 | C10 | H11 | 24.9° | 180.0° |
| H9 | C9 | C10 | H10 | 146.8° | 180.0° |
| H9 | C9 | C10 | H11 | 94.2° | 60.0° |
| H12 | C12 | N13 | H22 | 59.6° | 63.9° |
| H12 | C12 | N13 | H23 | 179.6° | 60.1° |
| H13 | C12 | N13 | H22 | 59.6° | 176.0° |
| H13 | C12 | N13 | H23 | 60.3° | 60.0° |
| H14 | C3 | H15 | H16 | 120.0° | 120.0° |
| H14 | C3 | C2 | H20 | 62.9° | 176.6° |
| H15 | C3 | C2 | H20 | 177.0° | 56.6° |
| H16 | C3 | C2 | H20 | 57.1° | 63.3° |
| H17 | C1 | H18 | H19 | 120.0° | 120.0° |
| H17 | C1 | C2 | H20 | 62.2° | 60.0° |
| H18 | C1 | C2 | H20 | 177.8° | 60.1° |
| H19 | C1 | C2 | H20 | 57.8° | 180.0° |
| H29 | C20 | C21 | H30 | 50.5° | 63.2° |
| H29 | C20 | N24 | H37 | 67.0° | 180.0° |
| H29 | C20 | N24 | H38 | 53.0° | 56.0° |
| H30 | C21 | C22 | H31 | 63.4° | 175.3° |
| H30 | C21 | C22 | H32 | 56.6° | 55.3° |
| H30 | C21 | C22 | H33 | 176.5° | 64.8° |
| H30 | C21 | C23 | H34 | 63.4° | 60.0° |
| H30 | C21 | C23 | H35 | 176.6° | 60.1° |
| H30 | C21 | C23 | H36 | 56.6° | 180.0° |
| H31 | C22 | H32 | H33 | 120.0° | 120.0° |
| H34 | C23 | H35 | H36 | 120.0° | 120.0° |
