A1B9W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C31 | doub | 1.38Å | 1.41Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C31 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.42Å | Aromatic |
| C29 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C24 | sing | 1.39Å | 1.42Å | Aromatic |
| C33 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.48Å | 1.56Å | |
| C24 | C25 | doub | 1.39Å | 1.41Å | Aromatic |
| C27 | CL28 | sing | 1.74Å | 1.78Å | |
| C27 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | doub | 1.39Å | 1.43Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.43Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.56Å | |
| C20 | N19 | sing | 1.47Å | 1.50Å | |
| N19 | C18 | sing | 1.47Å | 1.51Å | |
| C18 | C17 | sing | 1.53Å | 1.56Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| C16 | S15 | sing | 1.81Å | 1.86Å | |
| S15 | C14 | sing | 1.81Å | 1.84Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C09 | N08 | doub | 1.30Å | 1.35Å | Aromatic |
| C09 | N10 | sing | 1.36Å | 1.42Å | Aromatic |
| C13 | C34 | sing | 1.55Å | 1.53Å | |
| C13 | O12 | sing | 1.44Å | 1.43Å | |
| N08 | C07 | sing | 1.36Å | 1.41Å | Aromatic |
| C34 | C36 | sing | 1.54Å | 1.53Å | |
| C34 | O35 | sing | 1.43Å | 1.38Å | |
| C36 | C11 | sing | 1.54Å | 1.56Å | |
| C36 | O37 | sing | 1.43Å | 1.38Å | |
| O12 | C11 | sing | 1.44Å | 1.41Å | |
| N10 | C11 | sing | 1.47Å | 1.52Å | |
| N10 | C06 | sing | 1.37Å | 1.40Å | Aromatic |
| C07 | C06 | doub | 1.41Å | 1.42Å | Aromatic |
| C07 | C02 | sing | 1.40Å | 1.44Å | Aromatic |
| N01 | C02 | sing | 1.38Å | 1.37Å | |
| C06 | N05 | sing | 1.33Å | 1.37Å | Aromatic |
| C02 | N03 | doub | 1.33Å | 1.39Å | Aromatic |
| N05 | C04 | doub | 1.32Å | 1.35Å | Aromatic |
| N03 | C04 | sing | 1.32Å | 1.37Å | Aromatic |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| C04 | H8 | sing | 1.08Å | 1.08Å | |
| C09 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.08Å | 1.08Å | |
| C29 | H18 | sing | 1.08Å | 1.08Å | |
| C30 | H19 | sing | 1.08Å | 1.08Å | |
| C31 | H20 | sing | 1.08Å | 1.08Å | |
| C32 | H21 | sing | 1.08Å | 1.08Å | |
| C33 | H22 | sing | 1.08Å | 1.08Å | |
| C34 | H23 | sing | 1.09Å | 1.10Å | |
| C36 | H24 | sing | 1.09Å | 1.10Å | |
| N01 | H25 | sing | 0.97Å | 1.00Å | |
| N01 | H26 | sing | 0.97Å | 1.00Å | |
| N19 | H27 | sing | 1.01Å | 1.00Å | |
| O35 | H29 | sing | 0.97Å | 0.95Å | |
| O37 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C32 | C33 | 120.8° | 120.1° |
| C32 | C31 | C23 | 123.0° | 119.9° |
| C32 | C31 | H20 | 118.5° | 120.1° |
| C31 | C32 | H21 | 119.6° | 119.9° |
| C32 | C33 | C21 | 120.4° | 120.3° |
| C33 | C32 | H21 | 119.6° | 120.0° |
| C32 | C33 | H22 | 119.8° | 119.9° |
| C31 | C23 | C24 | 121.6° | 120.1° |
| C31 | C23 | C22 | 113.6° | 119.7° |
| C23 | C31 | H20 | 118.5° | 120.0° |
| C30 | C29 | C27 | 119.0° | 120.1° |
| C29 | C30 | C24 | 124.0° | 119.9° |
| C30 | C29 | H18 | 120.5° | 119.9° |
| C29 | C30 | H19 | 118.0° | 120.0° |
| C29 | C27 | CL28 | 119.9° | 119.9° |
| C29 | C27 | C26 | 120.6° | 120.2° |
| C27 | C29 | H18 | 120.5° | 119.9° |
| C30 | C24 | C23 | 124.7° | 120.1° |
| C30 | C24 | C25 | 112.8° | 119.8° |
| C24 | C30 | H19 | 118.0° | 120.1° |
| C33 | C21 | C22 | 116.8° | 120.1° |
| C33 | C21 | C20 | 120.0° | 120.0° |
| C21 | C33 | H22 | 119.8° | 119.8° |
| C23 | C24 | C25 | 122.5° | 120.1° |
| C24 | C23 | C22 | 124.8° | 120.1° |
| C24 | C25 | C26 | 125.1° | 119.9° |
| C24 | C25 | H17 | 117.4° | 120.0° |
| CL28 | C27 | C26 | 119.5° | 119.9° |
| C27 | C26 | C25 | 118.5° | 120.2° |
| C27 | C26 | H7 | 120.7° | 119.9° |
| C23 | C22 | C21 | 125.4° | 119.9° |
| C23 | C22 | H6 | 117.3° | 120.1° |
| C25 | C26 | H7 | 120.7° | 119.9° |
| C26 | C25 | H17 | 117.5° | 120.1° |
| C22 | C21 | C20 | 123.1° | 119.9° |
| C21 | C22 | H6 | 117.3° | 120.0° |
| C21 | C20 | N19 | 117.6° | 109.5° |
| C21 | C20 | H4 | 107.4° | 109.5° |
| C21 | C20 | H5 | 107.4° | 109.5° |
| C20 | N19 | C18 | 114.4° | 111.0° |
| N19 | C20 | H4 | 107.4° | 109.4° |
| N19 | C20 | H5 | 107.4° | 109.4° |
| C20 | N19 | H27 | 108.2° | 111.0° |
| N19 | C18 | C17 | 112.8° | 109.5° |
| N19 | C18 | H15 | 108.6° | 109.5° |
| N19 | C18 | H16 | 108.6° | 109.4° |
| C18 | N19 | H27 | 108.2° | 111.0° |
| C18 | C17 | C16 | 117.0° | 109.5° |
| C18 | C17 | H2 | 107.5° | 109.4° |
| C18 | C17 | H3 | 107.6° | 109.4° |
| C17 | C18 | H15 | 108.7° | 109.5° |
| C17 | C18 | H16 | 108.7° | 109.5° |
| C17 | C16 | S15 | 112.6° | 109.5° |
| C16 | C17 | H2 | 107.6° | 109.5° |
| C16 | C17 | H3 | 107.5° | 109.5° |
| C17 | C16 | H13 | 108.7° | 109.5° |
| C17 | C16 | H14 | 108.7° | 109.5° |
| C16 | S15 | C14 | 111.6° | 103.0° |
| S15 | C16 | H13 | 108.7° | 109.4° |
| S15 | C16 | H14 | 108.7° | 109.4° |
| S15 | C14 | C13 | 113.5° | 109.5° |
| S15 | C14 | H11 | 108.5° | 109.5° |
| S15 | C14 | H12 | 108.4° | 109.4° |
| C14 | C13 | C34 | 109.0° | 110.4° |
| C14 | C13 | O12 | 111.3° | 110.4° |
| C14 | C13 | H1 | 109.4° | 110.4° |
| C13 | C14 | H11 | 108.4° | 109.5° |
| C13 | C14 | H12 | 108.4° | 109.4° |
| N08 | C09 | N10 | 112.1° | 110.0° |
| C09 | N08 | C07 | 106.8° | 109.4° |
| N08 | C09 | H9 | 124.0° | 125.0° |
| C09 | N10 | C11 | 127.8° | 126.3° |
| C09 | N10 | C06 | 104.8° | 107.5° |
| N10 | C09 | H9 | 123.9° | 125.0° |
| C34 | C13 | O12 | 107.0° | 104.8° |
| C13 | C34 | C36 | 98.8° | 104.1° |
| C13 | C34 | O35 | 110.5° | 110.5° |
| C34 | C13 | H1 | 109.3° | 110.4° |
| C13 | C34 | H23 | 110.8° | 110.5° |
| C13 | O12 | C11 | 110.5° | 105.3° |
| O12 | C13 | H1 | 110.7° | 110.4° |
| N08 | C07 | C06 | 107.6° | 107.1° |
| N08 | C07 | C02 | 134.0° | 134.7° |
| C36 | C34 | O35 | 112.0° | 110.6° |
| C34 | C36 | C11 | 101.4° | 104.1° |
| C34 | C36 | O37 | 110.3° | 110.5° |
| C36 | C34 | H23 | 110.7° | 110.5° |
| C34 | C36 | H24 | 111.7° | 110.6° |
| O35 | C34 | H23 | 113.2° | 110.5° |
| C34 | O35 | H29 | 109.5° | 114.0° |
| C11 | C36 | O37 | 107.0° | 110.5° |
| C36 | C11 | O12 | 103.6° | 104.8° |
| C36 | C11 | N10 | 113.3° | 110.4° |
| C36 | C11 | H10 | 108.8° | 110.4° |
| C11 | C36 | H24 | 111.4° | 110.5° |
| O37 | C36 | H24 | 114.2° | 110.6° |
| C36 | O37 | H30 | 109.5° | 114.0° |
| O12 | C11 | N10 | 110.9° | 110.5° |
| O12 | C11 | H10 | 110.8° | 110.4° |
| C11 | N10 | C06 | 127.4° | 126.3° |
| N10 | C11 | H10 | 109.3° | 110.3° |
| N10 | C06 | C07 | 108.8° | 106.0° |
| N10 | C06 | N05 | 127.7° | 134.9° |
| C06 | C07 | C02 | 118.5° | 118.2° |
| C07 | C06 | N05 | 123.5° | 119.0° |
| C07 | C02 | N01 | 124.9° | 120.8° |
| C07 | C02 | N03 | 117.8° | 118.4° |
| N01 | C02 | N03 | 117.3° | 120.8° |
| C02 | N01 | H25 | 109.5° | 120.0° |
| C02 | N01 | H26 | 109.5° | 120.0° |
| C06 | N05 | C04 | 113.5° | 120.6° |
| C02 | N03 | C04 | 117.8° | 121.2° |
| N05 | C04 | N03 | 128.9° | 122.5° |
| N05 | C04 | H8 | 115.6° | 118.7° |
| N03 | C04 | H8 | 115.5° | 118.8° |
| H2 | C17 | H3 | 109.4° | 109.4° |
| H4 | C20 | H5 | 109.4° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H13 | C16 | H14 | 109.5° | 109.5° |
| H15 | C18 | H16 | 109.5° | 109.5° |
| H25 | N01 | H26 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C32 | C33 | H21 | 180.0° | 179.7° |
| C32 | C31 | C23 | H20 | 180.0° | 180.0° |
| C31 | C32 | C33 | C21 | 0.0° | 0.6° |
| C32 | C31 | C23 | C24 | 179.9° | 180.0° |
| C32 | C31 | C23 | C22 | 0.0° | 0.0° |
| C31 | C32 | C33 | H22 | 180.0° | 180.0° |
| C33 | C32 | C31 | C23 | 0.1° | 0.3° |
| C32 | C33 | C21 | H22 | 180.0° | 179.4° |
| C32 | C33 | C21 | C22 | 0.2° | 0.5° |
| C32 | C33 | C21 | C20 | 179.4° | 179.7° |
| C33 | C32 | C31 | H20 | 179.9° | 179.7° |
| C31 | C23 | C24 | C30 | 39.7° | 179.8° |
| C31 | C23 | C24 | C22 | 179.9° | 180.0° |
| C31 | C23 | C24 | C25 | 139.9° | 0.0° |
| C31 | C23 | C22 | C21 | 0.3° | 0.0° |
| C31 | C23 | C22 | H6 | 179.7° | 180.0° |
| C23 | C31 | C32 | H21 | 179.9° | 180.0° |
| C30 | C29 | C27 | H18 | 180.0° | 180.0° |
| C29 | C30 | C24 | H19 | 180.0° | 180.0° |
| C29 | C30 | C24 | C23 | 179.9° | 180.0° |
| C29 | C30 | C24 | C25 | 0.2° | 0.2° |
| C30 | C29 | C27 | CL28 | 180.0° | 180.0° |
| C30 | C29 | C27 | C26 | 0.0° | 0.3° |
| C27 | C29 | C30 | C24 | 0.2° | 0.0° |
| C29 | C27 | CL28 | C26 | 180.0° | 179.7° |
| C29 | C27 | C26 | C25 | 0.0° | 0.3° |
| C29 | C27 | C26 | H7 | 180.0° | 179.7° |
| C27 | C29 | C30 | H19 | 179.8° | 180.0° |
| C30 | C24 | C23 | C25 | 179.6° | 179.8° |
| C30 | C24 | C23 | C22 | 140.4° | 0.2° |
| C30 | C24 | C25 | C26 | 0.1° | 0.2° |
| C30 | C24 | C25 | H17 | 179.9° | 179.8° |
| C24 | C30 | C29 | H18 | 179.8° | 180.0° |
| C33 | C21 | C22 | C23 | 0.4° | 0.2° |
| C33 | C21 | C22 | C20 | 179.2° | 179.7° |
| C33 | C21 | C20 | N19 | 78.2° | 90.3° |
| C33 | C21 | C20 | H4 | 160.6° | 29.7° |
| C33 | C21 | C20 | H5 | 43.0° | 149.8° |
| C33 | C21 | C22 | H6 | 179.6° | 179.7° |
| C21 | C33 | C32 | H21 | 180.0° | 179.7° |
| C23 | C24 | C25 | C26 | 179.8° | 180.0° |
| C24 | C23 | C22 | C21 | 179.7° | 180.0° |
| C24 | C23 | C22 | H6 | 0.4° | 0.0° |
| C23 | C24 | C25 | H17 | 0.2° | 0.0° |
| C23 | C24 | C30 | H19 | 0.1° | 0.0° |
| C24 | C23 | C31 | H20 | 0.1° | 0.0° |
| C24 | C25 | C26 | C27 | 0.0° | 0.0° |
| C25 | C24 | C23 | C22 | 40.0° | 180.0° |
| C24 | C25 | C26 | H17 | 180.0° | 180.0° |
| C24 | C25 | C26 | H7 | 180.0° | 180.0° |
| C25 | C24 | C30 | H19 | 179.8° | 179.7° |
| CL28 | C27 | C26 | C25 | 179.9° | 180.0° |
| CL28 | C27 | C26 | H7 | 0.1° | 0.1° |
| CL28 | C27 | C29 | H18 | 0.0° | 0.1° |
| C27 | C26 | C25 | H7 | 180.0° | 179.9° |
| C27 | C26 | C25 | H17 | 180.0° | 180.0° |
| C26 | C27 | C29 | H18 | 180.0° | 179.7° |
| C23 | C22 | C21 | H6 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 179.5° | 180.0° |
| C22 | C23 | C31 | H20 | 180.0° | 180.0° |
| C22 | C21 | C20 | N19 | 102.7° | 90.0° |
| C22 | C21 | C20 | H4 | 18.5° | 150.1° |
| C22 | C21 | C20 | H5 | 136.1° | 30.0° |
| C22 | C21 | C33 | H22 | 179.8° | 179.9° |
| C21 | C20 | N19 | H4 | 121.2° | 120.0° |
| C21 | C20 | N19 | H5 | 121.2° | 120.0° |
| C21 | C20 | N19 | C18 | 89.0° | 180.0° |
| C21 | C20 | H4 | H5 | 116.3° | 120.1° |
| C20 | C21 | C22 | H6 | 0.5° | 0.0° |
| C20 | C21 | C33 | H22 | 0.6° | 0.3° |
| C21 | C20 | N19 | H27 | 150.3° | 56.1° |
| C20 | N19 | C18 | H27 | 120.7° | 123.9° |
| C20 | N19 | C18 | C17 | 62.0° | 180.0° |
| N19 | C20 | H4 | H5 | 116.3° | 120.0° |
| C20 | N19 | C18 | H15 | 177.5° | 60.0° |
| C20 | N19 | C18 | H16 | 58.5° | 60.0° |
| N19 | C18 | C17 | H15 | 120.5° | 120.0° |
| N19 | C18 | C17 | H16 | 120.5° | 120.0° |
| N19 | C18 | C17 | C16 | 38.3° | 180.0° |
| N19 | C18 | C17 | H2 | 159.4° | 60.0° |
| N19 | C18 | C17 | H3 | 82.8° | 60.0° |
| C18 | N19 | C20 | H4 | 32.2° | 60.0° |
| C18 | N19 | C20 | H5 | 149.9° | 60.0° |
| N19 | C18 | H15 | H16 | 118.5° | 119.9° |
| C18 | C17 | C16 | H2 | 121.1° | 120.0° |
| C18 | C17 | C16 | H3 | 121.1° | 120.0° |
| C18 | C17 | C16 | S15 | 176.1° | 180.0° |
| C18 | C17 | H2 | H3 | 116.6° | 119.9° |
| C18 | C17 | C16 | H13 | 55.6° | 60.0° |
| C18 | C17 | C16 | H14 | 63.5° | 60.0° |
| C17 | C18 | H15 | H16 | 118.5° | 120.0° |
| C17 | C18 | N19 | H27 | 58.7° | 56.1° |
| C17 | C16 | S15 | H13 | 120.5° | 120.1° |
| C17 | C16 | S15 | H14 | 120.4° | 120.0° |
| C17 | C16 | S15 | C14 | 59.7° | 180.0° |
| C16 | C17 | H2 | H3 | 116.6° | 120.1° |
| C17 | C16 | H13 | H14 | 118.6° | 120.1° |
| C16 | C17 | C18 | H15 | 82.2° | 60.0° |
| C16 | C17 | C18 | H16 | 158.8° | 60.0° |
| C16 | S15 | C14 | C13 | 160.8° | 180.0° |
| S15 | C16 | C17 | H2 | 62.8° | 60.0° |
| S15 | C16 | C17 | H3 | 55.0° | 60.0° |
| C16 | S15 | C14 | H11 | 40.1° | 60.0° |
| C16 | S15 | C14 | H12 | 78.7° | 60.0° |
| S15 | C16 | H13 | H14 | 118.6° | 119.9° |
| S15 | C14 | C13 | H11 | 120.6° | 120.0° |
| S15 | C14 | C13 | H12 | 120.6° | 119.9° |
| S15 | C14 | C13 | C34 | 87.5° | 175.0° |
| S15 | C14 | C13 | O12 | 154.6° | 69.6° |
| S15 | C14 | C13 | H1 | 31.9° | 52.7° |
| S15 | C14 | H11 | H12 | 118.1° | 120.0° |
| C14 | S15 | C16 | H13 | 179.8° | 60.0° |
| C14 | S15 | C16 | H14 | 60.7° | 60.0° |
| C14 | C13 | C34 | O12 | 120.5° | 118.9° |
| C14 | C13 | C34 | H1 | 119.5° | 122.3° |
| C14 | C13 | O12 | H1 | 121.9° | 122.3° |
| C14 | C13 | C34 | C36 | 87.7° | 142.8° |
| C14 | C13 | C34 | O35 | 154.8° | 98.5° |
| C14 | C13 | O12 | C11 | 108.9° | 159.3° |
| C13 | C14 | H11 | H12 | 118.1° | 120.0° |
| C14 | C13 | C34 | H23 | 28.6° | 24.1° |
| N08 | C09 | N10 | H9 | 180.0° | 180.0° |
| N08 | C09 | N10 | C11 | 179.1° | 180.0° |
| N08 | C09 | N10 | C06 | 0.4° | 0.1° |
| C09 | N08 | C07 | C06 | 0.2° | 0.0° |
| C09 | N08 | C07 | C02 | 180.0° | 180.0° |
| N10 | C09 | N08 | C07 | 0.2° | 0.1° |
| C09 | N10 | C11 | C36 | 43.8° | 93.4° |
| C09 | N10 | C11 | O12 | 72.2° | 22.0° |
| C09 | N10 | C11 | C06 | 178.4° | 179.9° |
| C09 | N10 | C06 | C07 | 0.5° | 0.1° |
| C09 | N10 | C06 | N05 | 179.9° | 180.0° |
| C09 | N10 | C11 | H10 | 165.3° | 144.3° |
| C34 | C13 | O12 | H1 | 119.0° | 118.8° |
| C13 | C34 | C36 | O35 | 116.4° | 118.7° |
| C13 | C34 | C36 | H23 | 116.2° | 118.6° |
| C13 | C34 | O35 | H23 | 124.9° | 122.6° |
| C13 | C34 | C36 | C11 | 41.5° | 0.1° |
| C13 | C34 | C36 | O37 | 154.6° | 118.7° |
| C34 | C13 | O12 | C11 | 10.1° | 40.5° |
| C34 | C13 | C14 | H11 | 151.9° | 55.0° |
| C34 | C13 | C14 | H12 | 33.1° | 65.1° |
| C13 | C34 | C36 | H24 | 77.3° | 118.6° |
| C13 | C34 | O35 | H29 | 180.0° | 180.0° |
| O12 | C13 | C34 | C36 | 32.9° | 23.9° |
| O12 | C13 | C34 | O35 | 84.7° | 142.6° |
| C13 | O12 | C11 | C36 | 17.2° | 40.5° |
| C13 | O12 | C11 | N10 | 139.1° | 159.4° |
| C13 | O12 | C11 | H10 | 99.4° | 78.3° |
| O12 | C13 | C14 | H11 | 34.0° | 170.4° |
| O12 | C13 | C14 | H12 | 84.8° | 50.4° |
| O12 | C13 | C34 | H23 | 149.1° | 94.7° |
| N08 | C07 | C06 | N10 | 0.4° | 0.0° |
| N08 | C07 | C06 | C02 | 179.8° | 180.0° |
| N08 | C07 | C02 | N01 | 0.1° | 0.3° |
| N08 | C07 | C06 | N05 | 179.9° | 180.0° |
| N08 | C07 | C02 | N03 | 179.9° | 180.0° |
| C07 | N08 | C09 | H9 | 179.8° | 179.9° |
| C36 | C34 | O35 | H23 | 126.1° | 122.7° |
| C34 | C36 | C11 | O37 | 115.5° | 118.6° |
| C34 | C36 | C11 | H24 | 119.0° | 118.7° |
| C34 | C36 | O37 | H24 | 126.8° | 122.7° |
| C34 | C36 | C11 | O12 | 37.5° | 24.0° |
| C34 | C36 | C11 | N10 | 157.8° | 142.9° |
| C36 | C34 | C13 | H1 | 152.8° | 94.9° |
| C34 | C36 | C11 | H10 | 80.4° | 94.8° |
| C36 | C34 | O35 | H29 | 70.9° | 65.3° |
| C34 | C36 | O37 | H30 | 180.0° | 61.4° |
| O35 | C34 | C36 | C11 | 74.9° | 118.6° |
| O35 | C34 | C36 | O37 | 38.2° | 0.0° |
| O35 | C34 | C13 | H1 | 35.3° | 23.8° |
| O35 | C34 | C36 | H24 | 166.3° | 122.7° |
| C11 | C36 | O37 | H24 | 123.8° | 122.6° |
| C36 | C11 | O12 | N10 | 121.9° | 118.9° |
| C36 | C11 | O12 | H10 | 116.5° | 118.9° |
| C36 | C11 | N10 | H10 | 121.5° | 122.3° |
| C36 | C11 | N10 | C06 | 134.6° | 86.5° |
| C11 | C36 | C34 | H23 | 157.7° | 118.7° |
| C11 | C36 | O37 | H30 | 70.6° | 176.0° |
| O37 | C36 | C11 | O12 | 153.0° | 142.6° |
| O37 | C36 | C11 | N10 | 86.7° | 98.4° |
| O37 | C36 | C11 | H10 | 35.1° | 23.8° |
| O37 | C36 | C34 | H23 | 89.2° | 122.8° |
| O12 | C11 | N10 | H10 | 122.5° | 122.3° |
| O12 | C11 | N10 | C06 | 109.4° | 158.1° |
| C11 | O12 | C13 | H1 | 129.2° | 78.3° |
| O12 | C11 | C36 | H24 | 81.5° | 94.7° |
| C11 | N10 | C06 | C07 | 179.2° | 180.0° |
| C11 | N10 | C06 | N05 | 1.4° | 0.1° |
| C11 | N10 | C09 | H9 | 0.9° | 0.0° |
| N10 | C11 | C36 | H24 | 38.8° | 24.2° |
| N10 | C06 | C07 | N05 | 179.4° | 179.9° |
| N10 | C06 | C07 | C02 | 179.7° | 180.0° |
| N10 | C06 | N05 | C04 | 179.4° | 180.0° |
| C06 | N10 | C09 | H9 | 179.6° | 179.9° |
| C06 | N10 | C11 | H10 | 13.0° | 35.8° |
| C06 | C07 | C02 | N01 | 179.7° | 179.7° |
| C06 | C07 | C02 | N03 | 0.1° | 0.1° |
| C07 | C06 | N05 | C04 | 0.0° | 0.0° |
| C07 | C02 | N01 | N03 | 179.8° | 179.6° |
| C02 | C07 | C06 | N05 | 0.3° | 0.0° |
| C07 | C02 | N03 | C04 | 0.2° | 0.1° |
| C07 | C02 | N01 | H25 | 179.8° | 179.7° |
| C07 | C02 | N01 | H26 | 60.2° | 0.4° |
| N01 | C02 | N03 | C04 | 180.0° | 179.7° |
| C02 | N01 | H25 | H26 | 120.0° | 180.0° |
| C06 | N05 | C04 | N03 | 0.3° | 0.0° |
| C06 | N05 | C04 | H8 | 179.6° | 180.0° |
| C02 | N03 | C04 | N05 | 0.5° | 0.1° |
| C02 | N03 | C04 | H8 | 179.5° | 180.0° |
| N03 | C02 | N01 | H25 | 0.0° | 0.1° |
| N03 | C02 | N01 | H26 | 120.0° | 180.0° |
| N05 | C04 | N03 | H8 | 180.0° | 180.0° |
| H1 | C13 | C14 | H11 | 88.7° | 67.3° |
| H1 | C13 | C14 | H12 | 152.5° | 172.7° |
| H1 | C13 | C34 | H23 | 91.0° | 146.5° |
| H2 | C17 | C16 | H13 | 176.7° | 60.0° |
| H2 | C17 | C16 | H14 | 57.6° | 180.0° |
| H2 | C17 | C18 | H15 | 38.9° | 180.0° |
| H2 | C17 | C18 | H16 | 80.1° | 60.0° |
| H3 | C17 | C16 | H13 | 65.5° | 180.0° |
| H3 | C17 | C16 | H14 | 175.4° | 59.9° |
| H3 | C17 | C18 | H15 | 156.7° | 60.0° |
| H3 | C17 | C18 | H16 | 37.7° | 179.9° |
| H4 | C20 | N19 | H27 | 88.5° | 176.1° |
| H5 | C20 | N19 | H27 | 29.2° | 63.9° |
| H7 | C26 | C25 | H17 | 0.0° | 0.0° |
| H10 | C11 | C36 | H24 | 160.6° | 146.5° |
| H15 | C18 | N19 | H27 | 61.8° | 63.9° |
| H16 | C18 | N19 | H27 | 179.2° | 176.1° |
| H18 | C29 | C30 | H19 | 0.1° | 0.0° |
| H20 | C31 | C32 | H21 | 0.1° | 0.0° |
| H21 | C32 | C33 | H22 | 0.0° | 0.3° |
| H23 | C34 | C36 | H24 | 39.0° | 0.0° |
| H23 | C34 | O35 | H29 | 55.1° | 57.4° |
| H24 | C36 | O37 | H30 | 53.2° | 61.3° |
