A1JPU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.46Å | 1.47Å | |
| N2 | C3 | sing | 1.34Å | 1.36Å | |
| N2 | C16 | sing | 1.35Å | 1.36Å | |
| C3 | O4 | doub | 1.22Å | 1.23Å | |
| C3 | N5 | sing | 1.34Å | 1.37Å | |
| N5 | C6 | sing | 1.47Å | 1.46Å | |
| N5 | C9 | sing | 1.39Å | 1.43Å | |
| C6 | C7 | sing | 1.51Å | 1.49Å | |
| C7 | N35 | doub | 1.31Å | 1.27Å | Aromatic |
| C7 | N34 | sing | 1.33Å | 1.43Å | Aromatic |
| O8 | C24 | doub | 1.21Å | 1.20Å | |
| C9 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C15 | sing | 1.41Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | BR12 | sing | 1.89Å | 1.87Å | |
| C11 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.47Å | 1.51Å | |
| C16 | O17 | doub | 1.22Å | 1.21Å | |
| C18 | C19 | sing | 1.51Å | 1.51Å | |
| C19 | C23 | sing | 1.48Å | 1.47Å | Aromatic |
| C19 | N20 | doub | 1.31Å | 1.26Å | Aromatic |
| N20 | O21 | sing | 1.21Å | 1.42Å | Aromatic |
| O21 | N22 | sing | 1.21Å | 1.40Å | Aromatic |
| N22 | C23 | doub | 1.32Å | 1.26Å | Aromatic |
| C23 | C24 | sing | 1.48Å | 1.46Å | |
| C24 | N25 | sing | 1.35Å | 1.35Å | |
| N25 | C26 | sing | 1.46Å | 1.46Å | |
| C26 | C33 | sing | 1.51Å | 1.51Å | |
| C26 | C27 | sing | 1.53Å | 1.55Å | |
| C27 | C32 | sing | 1.53Å | 1.56Å | |
| C27 | C28 | sing | 1.53Å | 1.56Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C31 | C32 | sing | 1.53Å | 1.54Å | |
| C33 | N36 | sing | 1.34Å | 1.30Å | Aromatic |
| C33 | N34 | doub | 1.31Å | 1.24Å | Aromatic |
| N35 | N36 | sing | 1.40Å | 1.36Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| N25 | H13 | sing | 0.97Å | 1.00Å | |
| C31 | H23 | sing | 1.09Å | 1.10Å | |
| C31 | H24 | sing | 1.09Å | 1.10Å | |
| C32 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å | |
| N36 | H27 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N2 | C3 | 118.2° | 119.4° |
| C1 | N2 | C16 | 120.1° | 119.4° |
| N2 | C1 | H1 | 109.5° | 109.5° |
| N2 | C1 | H2 | 109.4° | 109.5° |
| N2 | C1 | H3 | 109.5° | 109.5° |
| C3 | N2 | C16 | 121.7° | 121.3° |
| N2 | C3 | O4 | 118.5° | 118.6° |
| N2 | C3 | N5 | 120.2° | 122.8° |
| N2 | C16 | C15 | 120.5° | 118.3° |
| N2 | C16 | O17 | 122.8° | 120.8° |
| O4 | C3 | N5 | 121.3° | 118.6° |
| C3 | N5 | C6 | 117.7° | 119.7° |
| C3 | N5 | C9 | 122.1° | 120.7° |
| C6 | N5 | C9 | 119.0° | 119.7° |
| N5 | C6 | C7 | 112.8° | 109.4° |
| N5 | C6 | H5 | 108.6° | 109.5° |
| N5 | C6 | H6 | 108.6° | 109.5° |
| N5 | C9 | C10 | 122.9° | 121.6° |
| N5 | C9 | C15 | 119.1° | 118.8° |
| C6 | C7 | N35 | 131.1° | 125.5° |
| C6 | C7 | N34 | 125.6° | 125.5° |
| C7 | C6 | H5 | 108.6° | 109.5° |
| C7 | C6 | H6 | 108.6° | 109.5° |
| N35 | C7 | N34 | 103.3° | 108.9° |
| C7 | N35 | N36 | 110.9° | 106.8° |
| C7 | N34 | C33 | 109.0° | 109.8° |
| O8 | C24 | C23 | 116.0° | 120.0° |
| O8 | C24 | N25 | 122.9° | 120.0° |
| C10 | C9 | C15 | 117.9° | 119.6° |
| C9 | C10 | C11 | 121.3° | 119.8° |
| C9 | C10 | H7 | 119.3° | 120.1° |
| C9 | C15 | C14 | 121.5° | 120.1° |
| C9 | C15 | C16 | 116.2° | 118.2° |
| C10 | C11 | BR12 | 118.8° | 119.7° |
| C10 | C11 | C13 | 119.8° | 120.6° |
| C11 | C10 | H7 | 119.3° | 120.1° |
| BR12 | C11 | C13 | 121.3° | 119.7° |
| C11 | C13 | C14 | 119.6° | 120.4° |
| C11 | C13 | H8 | 120.2° | 119.8° |
| C13 | C14 | C15 | 119.6° | 119.5° |
| C14 | C13 | H8 | 120.2° | 119.8° |
| C13 | C14 | H9 | 120.2° | 120.2° |
| C14 | C15 | C16 | 122.2° | 121.7° |
| C15 | C14 | H9 | 120.2° | 120.3° |
| C15 | C16 | O17 | 116.6° | 120.8° |
| C18 | C19 | C23 | 131.6° | 128.6° |
| C18 | C19 | N20 | 118.4° | 128.7° |
| C19 | C18 | H10 | 109.5° | 109.5° |
| C19 | C18 | H11 | 109.5° | 109.5° |
| C19 | C18 | H12 | 109.5° | 109.4° |
| C23 | C19 | N20 | 109.9° | 102.7° |
| C19 | C23 | N22 | 111.3° | 102.5° |
| C19 | C23 | C24 | 130.0° | 128.7° |
| C19 | N20 | O21 | 102.9° | 109.6° |
| N20 | O21 | N22 | 113.4° | 115.9° |
| O21 | N22 | C23 | 102.4° | 109.2° |
| N22 | C23 | C24 | 118.7° | 128.7° |
| C23 | C24 | N25 | 121.1° | 120.0° |
| C24 | N25 | C26 | 119.5° | 120.0° |
| C24 | N25 | H13 | 120.2° | 120.0° |
| N25 | C26 | C33 | 112.4° | 109.5° |
| N25 | C26 | C27 | 109.7° | 109.5° |
| N25 | C26 | H15 | 106.6° | 109.5° |
| C26 | N25 | H13 | 120.3° | 120.0° |
| C33 | C26 | C27 | 115.8° | 109.4° |
| C26 | C33 | N36 | 124.3° | 125.9° |
| C26 | C33 | N34 | 125.3° | 126.0° |
| C33 | C26 | H15 | 106.0° | 109.5° |
| C26 | C27 | C32 | 111.6° | 109.5° |
| C26 | C27 | C28 | 107.9° | 109.4° |
| C27 | C26 | H15 | 105.5° | 109.4° |
| C26 | C27 | H16 | 108.7° | 109.5° |
| C32 | C27 | C28 | 111.2° | 109.5° |
| C27 | C32 | C31 | 111.1° | 109.4° |
| C32 | C27 | H16 | 108.7° | 109.5° |
| C27 | C32 | H25 | 109.1° | 109.4° |
| C27 | C32 | H26 | 109.1° | 109.5° |
| C27 | C28 | C29 | 110.4° | 109.4° |
| C28 | C27 | H16 | 108.7° | 109.5° |
| C27 | C28 | H17 | 109.2° | 109.4° |
| C27 | C28 | H18 | 109.2° | 109.5° |
| C28 | C29 | C30 | 109.2° | 109.5° |
| C29 | C28 | H17 | 109.3° | 109.5° |
| C29 | C28 | H18 | 109.2° | 109.5° |
| C28 | C29 | H19 | 109.6° | 109.4° |
| C28 | C29 | H20 | 109.6° | 109.5° |
| C29 | C30 | C31 | 109.8° | 109.5° |
| C30 | C29 | H19 | 109.5° | 109.5° |
| C30 | C29 | H20 | 109.5° | 109.5° |
| C29 | C30 | H21 | 109.4° | 109.5° |
| C29 | C30 | H22 | 109.4° | 109.5° |
| C30 | C31 | C32 | 109.1° | 109.5° |
| C31 | C30 | H21 | 109.4° | 109.5° |
| C31 | C30 | H22 | 109.4° | 109.5° |
| C30 | C31 | H23 | 109.6° | 109.5° |
| C30 | C31 | H24 | 109.5° | 109.5° |
| C32 | C31 | H23 | 109.5° | 109.4° |
| C32 | C31 | H24 | 109.6° | 109.5° |
| C31 | C32 | H25 | 109.1° | 109.5° |
| C31 | C32 | H26 | 109.0° | 109.5° |
| N36 | C33 | N34 | 110.3° | 108.1° |
| C33 | N36 | N35 | 106.4° | 106.3° |
| C33 | N36 | H27 | 126.8° | 126.8° |
| N35 | N36 | H27 | 126.8° | 126.8° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H10 | C18 | H11 | 109.4° | 109.5° |
| H10 | C18 | H12 | 109.5° | 109.4° |
| H11 | C18 | H12 | 109.5° | 109.5° |
| H17 | C28 | H18 | 109.5° | 109.5° |
| H19 | C29 | H20 | 109.4° | 109.4° |
| H21 | C30 | H22 | 109.5° | 109.4° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H23 | C31 | H24 | 109.5° | 109.5° |
| H25 | C32 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N2 | C3 | C16 | 179.4° | 180.0° |
| C1 | N2 | C3 | O4 | 1.0° | 0.0° |
| C1 | N2 | C3 | N5 | 177.0° | 179.7° |
| C1 | N2 | C16 | C15 | 179.8° | 180.0° |
| C1 | N2 | C16 | O17 | 2.8° | 0.1° |
| N2 | C1 | H1 | H2 | 120.0° | 120.0° |
| N2 | C1 | H1 | H3 | 120.0° | 120.0° |
| N2 | C1 | H2 | H3 | 120.0° | 120.0° |
| N2 | C3 | O4 | N5 | 178.0° | 179.8° |
| N2 | C3 | N5 | C6 | 173.1° | 179.8° |
| N2 | C3 | N5 | C9 | 5.4° | 0.2° |
| C3 | N2 | C16 | C15 | 0.8° | 0.0° |
| C3 | N2 | C16 | O17 | 177.8° | 179.9° |
| C3 | N2 | C1 | H1 | 180.0° | 90.0° |
| C3 | N2 | C1 | H2 | 60.0° | 150.0° |
| C3 | N2 | C1 | H3 | 60.0° | 30.0° |
| C16 | N2 | C3 | O4 | 179.5° | 180.0° |
| C16 | N2 | C3 | N5 | 2.5° | 0.2° |
| N2 | C16 | C15 | C9 | 1.2° | 0.3° |
| N2 | C16 | C15 | C14 | 179.9° | 179.9° |
| N2 | C16 | C15 | O17 | 177.2° | 179.9° |
| C16 | N2 | C1 | H1 | 0.5° | 90.0° |
| C16 | N2 | C1 | H2 | 119.5° | 30.0° |
| C16 | N2 | C1 | H3 | 120.6° | 150.0° |
| O4 | C3 | N5 | C6 | 8.9° | 0.0° |
| O4 | C3 | N5 | C9 | 176.7° | 180.0° |
| C3 | N5 | C6 | C9 | 168.2° | 180.0° |
| C3 | N5 | C6 | C7 | 105.0° | 90.0° |
| C3 | N5 | C9 | C10 | 175.2° | 179.9° |
| C3 | N5 | C9 | C15 | 4.8° | 0.0° |
| C3 | N5 | C6 | H5 | 134.5° | 150.0° |
| C3 | N5 | C6 | H6 | 15.5° | 30.0° |
| N5 | C6 | C7 | H5 | 120.5° | 120.0° |
| N5 | C6 | C7 | H6 | 120.5° | 120.0° |
| N5 | C6 | C7 | N35 | 0.5° | 90.0° |
| N5 | C6 | C7 | N34 | 178.2° | 89.8° |
| C6 | N5 | C9 | C10 | 7.6° | 0.1° |
| C6 | N5 | C9 | C15 | 172.4° | 180.0° |
| N5 | C6 | H5 | H6 | 118.5° | 120.0° |
| C9 | N5 | C6 | C7 | 86.8° | 90.0° |
| N5 | C9 | C10 | C15 | 180.0° | 180.0° |
| N5 | C9 | C10 | C11 | 176.3° | 180.0° |
| N5 | C9 | C15 | C14 | 177.2° | 180.0° |
| N5 | C9 | C15 | C16 | 1.4° | 0.3° |
| C9 | N5 | C6 | H5 | 33.7° | 30.0° |
| C9 | N5 | C6 | H6 | 152.7° | 150.0° |
| N5 | C9 | C10 | H7 | 3.7° | 0.1° |
| C6 | C7 | N35 | N34 | 179.0° | 179.8° |
| C6 | C7 | N34 | C33 | 177.7° | 180.0° |
| C6 | C7 | N35 | N36 | 178.5° | 180.0° |
| C7 | C6 | H5 | H6 | 118.5° | 120.0° |
| C7 | N35 | N36 | C33 | 0.5° | 0.1° |
| N35 | C7 | N34 | C33 | 1.4° | 0.2° |
| N35 | C7 | C6 | H5 | 120.0° | 29.9° |
| N35 | C7 | C6 | H6 | 121.0° | 150.0° |
| C7 | N35 | N36 | H27 | 179.5° | 179.8° |
| C7 | N34 | C33 | C26 | 179.2° | 179.9° |
| C7 | N34 | C33 | N36 | 1.8° | 0.1° |
| N34 | C7 | N35 | N36 | 0.5° | 0.2° |
| N34 | C7 | C6 | H5 | 61.3° | 150.3° |
| N34 | C7 | C6 | H6 | 57.7° | 30.2° |
| O8 | C24 | C23 | C19 | 5.8° | 0.0° |
| O8 | C24 | C23 | N22 | 171.3° | 180.0° |
| O8 | C24 | C23 | N25 | 177.4° | 180.0° |
| O8 | C24 | N25 | C26 | 0.7° | 0.0° |
| O8 | C24 | N25 | H13 | 179.3° | 180.0° |
| C9 | C10 | C11 | H7 | 180.0° | 180.0° |
| C9 | C10 | C11 | BR12 | 179.9° | 180.0° |
| C9 | C10 | C11 | C13 | 1.2° | 0.0° |
| C10 | C9 | C15 | C14 | 2.8° | 0.0° |
| C10 | C9 | C15 | C16 | 178.5° | 179.7° |
| C15 | C9 | C10 | C11 | 3.7° | 0.0° |
| C9 | C15 | C14 | C13 | 0.6° | 0.0° |
| C9 | C15 | C14 | C16 | 178.6° | 179.7° |
| C9 | C15 | C16 | O17 | 178.4° | 179.7° |
| C9 | C15 | C14 | H9 | 179.4° | 180.0° |
| C15 | C9 | C10 | H7 | 176.3° | 180.0° |
| C10 | C11 | BR12 | C13 | 178.7° | 180.0° |
| C10 | C11 | C13 | C14 | 2.3° | 0.0° |
| C10 | C11 | C13 | H8 | 177.7° | 180.0° |
| BR12 | C11 | C13 | C14 | 176.4° | 180.0° |
| BR12 | C11 | C13 | H8 | 3.7° | 0.0° |
| BR12 | C11 | C10 | H7 | 0.1° | 0.0° |
| C11 | C13 | C14 | H8 | 180.0° | 180.0° |
| C11 | C13 | C14 | C15 | 3.2° | 0.0° |
| C11 | C13 | C14 | H9 | 176.8° | 180.0° |
| C13 | C11 | C10 | H7 | 178.8° | 180.0° |
| C13 | C14 | C15 | H9 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 178.0° | 179.7° |
| C14 | C15 | C16 | O17 | 2.9° | 0.0° |
| C15 | C14 | C13 | H8 | 176.8° | 180.0° |
| C16 | C15 | C14 | H9 | 2.0° | 0.4° |
| C18 | C19 | C23 | N20 | 177.4° | 179.8° |
| C18 | C19 | N20 | O21 | 179.1° | 180.0° |
| C18 | C19 | C23 | N22 | 179.2° | 180.0° |
| C18 | C19 | C23 | C24 | 3.5° | 0.0° |
| C19 | C18 | H10 | H11 | 120.0° | 120.0° |
| C19 | C18 | H10 | H12 | 120.0° | 120.0° |
| C19 | C18 | H11 | H12 | 120.0° | 120.0° |
| C23 | C19 | N20 | O21 | 1.3° | 0.2° |
| C19 | C23 | N22 | O21 | 1.2° | 0.2° |
| C19 | C23 | N22 | C24 | 177.6° | 180.0° |
| C19 | C23 | C24 | N25 | 176.7° | 180.0° |
| C23 | C19 | C18 | H10 | 177.3° | 89.9° |
| C23 | C19 | C18 | H11 | 62.7° | 150.0° |
| C23 | C19 | C18 | H12 | 57.3° | 30.0° |
| C19 | N20 | O21 | N22 | 0.6° | 0.1° |
| N20 | C19 | C23 | N22 | 1.8° | 0.2° |
| N20 | C19 | C23 | C24 | 179.1° | 179.8° |
| N20 | C19 | C18 | H10 | 0.0° | 90.3° |
| N20 | C19 | C18 | H11 | 120.0° | 29.7° |
| N20 | C19 | C18 | H12 | 120.0° | 149.7° |
| N20 | O21 | N22 | C23 | 0.4° | 0.1° |
| O21 | N22 | C23 | C24 | 178.8° | 179.8° |
| N22 | C23 | C24 | N25 | 6.2° | 0.0° |
| C23 | C24 | N25 | C26 | 178.0° | 180.0° |
| C23 | C24 | N25 | H13 | 2.0° | 0.0° |
| C24 | N25 | C26 | H13 | 180.0° | 180.0° |
| C24 | N25 | C26 | C33 | 69.0° | 155.0° |
| C24 | N25 | C26 | C27 | 160.5° | 85.0° |
| C24 | N25 | C26 | H15 | 46.7° | 35.0° |
| N25 | C26 | C33 | C27 | 127.3° | 120.0° |
| N25 | C26 | C33 | H15 | 116.1° | 120.0° |
| N25 | C26 | C27 | H15 | 114.5° | 120.0° |
| N25 | C26 | C27 | C32 | 174.8° | 60.0° |
| N25 | C26 | C27 | C28 | 52.4° | 60.0° |
| N25 | C26 | C33 | N36 | 125.5° | 5.1° |
| N25 | C26 | C33 | N34 | 51.6° | 174.9° |
| N25 | C26 | C27 | H16 | 65.4° | 180.0° |
| C33 | C26 | C27 | H15 | 116.9° | 120.0° |
| C33 | C26 | C27 | C32 | 56.6° | 180.0° |
| C33 | C26 | C27 | C28 | 179.1° | 60.0° |
| C26 | C33 | N36 | N34 | 177.5° | 180.0° |
| C26 | C33 | N36 | N35 | 178.9° | 180.0° |
| C33 | C26 | C27 | H16 | 63.2° | 60.0° |
| C33 | C26 | N25 | H13 | 111.0° | 25.0° |
| C26 | C33 | N36 | H27 | 1.1° | 0.0° |
| C26 | C27 | C32 | C28 | 120.5° | 120.0° |
| C26 | C27 | C32 | H16 | 119.8° | 120.0° |
| C26 | C27 | C28 | H16 | 117.7° | 120.0° |
| C26 | C27 | C28 | C29 | 177.6° | 180.0° |
| C26 | C27 | C32 | C31 | 174.9° | 180.0° |
| C27 | C26 | C33 | N36 | 107.2° | 125.1° |
| C27 | C26 | C33 | N34 | 75.7° | 54.9° |
| C26 | C27 | C28 | H17 | 57.5° | 60.0° |
| C26 | C27 | C28 | H18 | 62.2° | 60.0° |
| C27 | C26 | N25 | H13 | 19.5° | 95.0° |
| C26 | C27 | C32 | H25 | 64.9° | 60.0° |
| C26 | C27 | C32 | H26 | 54.7° | 60.0° |
| C32 | C27 | C28 | H16 | 119.6° | 120.0° |
| C32 | C27 | C28 | C29 | 55.0° | 60.0° |
| C27 | C32 | C31 | C30 | 57.1° | 60.0° |
| C27 | C32 | C31 | H25 | 120.2° | 120.0° |
| C27 | C32 | C31 | H26 | 120.2° | 120.0° |
| C32 | C27 | C26 | H15 | 60.3° | 60.0° |
| C32 | C27 | C28 | H17 | 65.2° | 60.0° |
| C32 | C27 | C28 | H18 | 175.1° | 180.0° |
| C27 | C32 | C31 | H23 | 177.1° | 180.0° |
| C27 | C32 | C31 | H24 | 62.8° | 60.0° |
| C27 | C32 | H25 | H26 | 119.3° | 120.0° |
| C27 | C28 | C29 | H17 | 120.1° | 119.9° |
| C27 | C28 | C29 | H18 | 120.1° | 120.0° |
| C27 | C28 | C29 | C30 | 58.8° | 60.0° |
| C28 | C27 | C32 | C31 | 54.3° | 60.0° |
| C28 | C27 | C26 | H15 | 62.2° | 180.0° |
| C27 | C28 | H17 | H18 | 119.6° | 120.0° |
| C27 | C28 | C29 | H19 | 178.8° | 180.0° |
| C27 | C28 | C29 | H20 | 61.2° | 60.1° |
| C28 | C27 | C32 | H25 | 174.6° | 180.0° |
| C28 | C27 | C32 | H26 | 65.9° | 60.0° |
| C28 | C29 | C30 | H19 | 120.0° | 120.0° |
| C28 | C29 | C30 | H20 | 120.0° | 120.1° |
| C28 | C29 | C30 | C31 | 62.6° | 60.0° |
| C29 | C28 | C27 | H16 | 64.6° | 60.0° |
| C29 | C28 | H17 | H18 | 119.6° | 120.1° |
| C28 | C29 | H19 | H20 | 120.2° | 120.0° |
| C28 | C29 | C30 | H21 | 57.4° | 60.0° |
| C28 | C29 | C30 | H22 | 177.3° | 179.9° |
| C29 | C30 | C31 | H21 | 120.1° | 120.0° |
| C29 | C30 | C31 | H22 | 120.0° | 120.0° |
| C29 | C30 | C31 | C32 | 61.5° | 60.0° |
| C30 | C29 | C28 | H17 | 61.4° | 59.9° |
| C30 | C29 | C28 | H18 | 178.9° | 180.0° |
| C30 | C29 | H19 | H20 | 120.1° | 120.0° |
| C29 | C30 | H21 | H22 | 119.8° | 120.0° |
| C29 | C30 | C31 | H23 | 178.6° | 180.0° |
| C29 | C30 | C31 | H24 | 58.4° | 60.0° |
| C30 | C31 | C32 | H23 | 119.9° | 120.0° |
| C30 | C31 | C32 | H24 | 119.9° | 120.0° |
| C31 | C30 | C29 | H19 | 177.4° | 180.0° |
| C31 | C30 | C29 | H20 | 57.3° | 60.0° |
| C31 | C30 | H21 | H22 | 119.9° | 120.0° |
| C30 | C31 | H23 | H24 | 120.2° | 120.0° |
| C30 | C31 | C32 | H25 | 177.4° | 180.0° |
| C30 | C31 | C32 | H26 | 63.1° | 60.0° |
| C31 | C32 | C27 | H16 | 65.3° | 60.0° |
| C32 | C31 | C30 | H21 | 58.6° | 60.0° |
| C32 | C31 | C30 | H22 | 178.5° | 179.9° |
| C32 | C31 | H23 | H24 | 120.2° | 120.0° |
| C31 | C32 | H25 | H26 | 119.2° | 120.0° |
| C33 | N36 | N35 | H27 | 180.0° | 180.0° |
| N36 | C33 | C26 | H15 | 9.4° | 115.0° |
| N34 | C33 | N36 | N35 | 1.5° | 0.0° |
| N34 | C33 | C26 | H15 | 167.7° | 65.0° |
| N34 | C33 | N36 | H27 | 178.6° | 180.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H8 | C13 | C14 | H9 | 3.2° | 0.1° |
| H10 | C18 | H11 | H12 | 120.0° | 120.0° |
| H15 | C26 | C27 | H16 | 179.9° | 60.0° |
| H15 | C26 | N25 | H13 | 133.3° | 145.0° |
| H16 | C27 | C28 | H17 | 175.2° | 180.0° |
| H16 | C27 | C28 | H18 | 55.5° | 60.0° |
| H16 | C27 | C32 | H25 | 54.9° | 60.0° |
| H16 | C27 | C32 | H26 | 174.5° | 180.0° |
| H17 | C28 | C29 | H19 | 58.6° | 60.1° |
| H17 | C28 | C29 | H20 | 178.7° | NaN° |
| H18 | C28 | C29 | H19 | 61.1° | 60.0° |
| H18 | C28 | C29 | H20 | 59.0° | 59.9° |
| H19 | C29 | C30 | H21 | 62.5° | 60.0° |
| H19 | C29 | C30 | H22 | 57.3° | 59.9° |
| H20 | C29 | C30 | H21 | 177.4° | 179.9° |
| H20 | C29 | C30 | H22 | 62.8° | 60.0° |
| H21 | C30 | C31 | H23 | 61.4° | 60.0° |
| H21 | C30 | C31 | H24 | 178.5° | 180.0° |
| H22 | C30 | C31 | H23 | 58.5° | 60.0° |
| H22 | C30 | C31 | H24 | 61.6° | 60.1° |
| H23 | C31 | C32 | H25 | 62.7° | 60.0° |
| H23 | C31 | C32 | H26 | 56.8° | 60.0° |
| H24 | C31 | C32 | H25 | 57.5° | 60.0° |
| H24 | C31 | C32 | H26 | 177.0° | 180.0° |
