HJ6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O07 | C23 | doub | 1.22Å | 1.21Å | |
| C24 | N04 | sing | 1.46Å | 1.45Å | |
| C23 | N04 | sing | 1.35Å | 1.45Å | |
| C23 | C22 | sing | 1.48Å | 1.54Å | |
| C21 | C22 | doub | 1.40Å | 1.42Å | Aromatic |
| C21 | C20 | sing | 1.37Å | 1.41Å | Aromatic |
| C22 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| O05 | S | sing | 1.52Å | 1.52Å | |
| C20 | C19 | doub | 1.39Å | 1.41Å | Aromatic |
| S | O06 | doub | 1.42Å | 1.51Å | |
| S | C03 | sing | 1.76Å | 1.79Å | |
| C25 | C26 | doub | 1.40Å | 1.41Å | Aromatic |
| O01 | S01 | doub | 1.42Å | 1.43Å | |
| C02 | C03 | doub | 1.38Å | 1.37Å | Aromatic |
| C02 | C01 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | C26 | sing | 1.41Å | 1.41Å | Aromatic |
| C19 | N03 | sing | 1.38Å | 1.38Å | Aromatic |
| C03 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | N05 | sing | 1.36Å | 1.38Å | Aromatic |
| C16 | N02 | sing | 1.48Å | 1.48Å | |
| C16 | C17 | sing | 1.54Å | 1.47Å | |
| S01 | C01 | sing | 1.76Å | 1.80Å | |
| S01 | N02 | sing | 1.66Å | 1.67Å | |
| S01 | O | doub | 1.42Å | 1.43Å | |
| C01 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| N02 | C | sing | 1.48Å | 1.47Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| N03 | C18 | sing | 1.47Å | 1.46Å | |
| N03 | C27 | sing | 1.37Å | 1.34Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | C | sing | 1.54Å | 1.47Å | |
| N05 | C27 | doub | 1.31Å | 1.32Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.47Å | 1.53Å | |
| C28 | O10 | sing | 1.35Å | 1.31Å | Aromatic |
| C28 | C29 | doub | 1.36Å | 1.41Å | Aromatic |
| O10 | C31 | sing | 1.34Å | 1.33Å | Aromatic |
| C29 | C30 | sing | 1.41Å | 1.44Å | Aromatic |
| C36 | C35 | sing | 1.51Å | 1.54Å | |
| C31 | C30 | doub | 1.35Å | 1.40Å | Aromatic |
| C31 | C1 | sing | 1.51Å | 1.52Å | |
| N07 | C35 | doub | 1.31Å | 1.33Å | Aromatic |
| N07 | N06 | sing | 1.40Å | 1.32Å | Aromatic |
| C35 | C34 | sing | 1.40Å | 1.44Å | Aromatic |
| C1 | N06 | sing | 1.46Å | 1.42Å | |
| N06 | C32 | sing | 1.35Å | 1.33Å | Aromatic |
| C34 | C32 | doub | 1.35Å | 1.43Å | Aromatic |
| C34 | N | sing | 1.48Å | 1.41Å | |
| C32 | C33 | sing | 1.51Å | 1.55Å | |
| O09 | N | sing | 1.22Å | 1.23Å | |
| N | O08 | doub | 1.22Å | 1.22Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C02 | H11 | sing | 1.08Å | 1.08Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H20 | sing | 1.08Å | 1.08Å | |
| C30 | H21 | sing | 1.08Å | 1.08Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å | |
| C36 | H25 | sing | 1.09Å | 1.10Å | |
| C36 | H26 | sing | 1.09Å | 1.10Å | |
| C36 | H27 | sing | 1.09Å | 1.10Å | |
| N04 | H28 | sing | 0.97Å | 1.00Å | |
| O05 | H29 | sing | 0.97Å | 0.95Å | |
| S | O1 | doub | 1.42Å | 1.59Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O07 | C23 | N04 | 122.3° | 120.0° |
| O07 | C23 | C22 | 121.6° | 119.9° |
| C24 | N04 | C23 | 123.9° | 120.0° |
| N04 | C24 | H6 | 109.5° | 109.5° |
| N04 | C24 | H7 | 109.5° | 109.5° |
| N04 | C24 | H8 | 109.5° | 109.5° |
| C24 | N04 | H28 | 118.1° | 120.0° |
| N04 | C23 | C22 | 116.0° | 120.1° |
| C23 | N04 | H28 | 118.1° | 120.0° |
| C23 | C22 | C21 | 121.1° | 119.9° |
| C23 | C22 | C25 | 118.5° | 119.9° |
| C22 | C21 | C20 | 120.8° | 120.5° |
| C21 | C22 | C25 | 120.5° | 120.2° |
| C22 | C21 | H5 | 119.6° | 119.8° |
| C21 | C20 | C19 | 118.5° | 120.2° |
| C21 | C20 | H4 | 120.8° | 119.9° |
| C20 | C21 | H5 | 119.6° | 119.8° |
| C22 | C25 | C26 | 119.3° | 119.5° |
| C22 | C25 | H19 | 120.3° | 120.2° |
| O05 | S | O06 | 92.2° | 106.4° |
| O05 | S | C03 | 112.4° | 107.2° |
| S | O05 | H29 | 109.5° | 114.0° |
| O05 | S | O1 | 117.1° | 106.4° |
| C20 | C19 | C26 | 120.4° | 120.1° |
| C20 | C19 | N03 | 132.8° | 133.6° |
| C19 | C20 | H4 | 120.8° | 119.9° |
| O06 | S | C03 | 108.9° | 106.4° |
| O06 | S | O1 | 119.2° | 123.1° |
| S | C03 | C02 | 117.3° | 120.0° |
| S | C03 | C13 | 122.7° | 120.0° |
| C03 | S | O1 | 106.6° | 106.4° |
| C25 | C26 | C19 | 120.5° | 119.5° |
| C25 | C26 | N05 | 132.6° | 133.3° |
| C26 | C25 | H19 | 120.3° | 120.2° |
| O01 | S01 | C01 | 110.1° | 106.4° |
| O01 | S01 | N02 | 113.3° | 106.4° |
| O01 | S01 | O | 103.8° | 123.2° |
| C03 | C02 | C01 | 119.6° | 120.0° |
| C02 | C03 | C13 | 120.0° | 120.0° |
| C03 | C02 | H11 | 120.2° | 120.0° |
| C02 | C01 | S01 | 115.3° | 120.0° |
| C02 | C01 | C15 | 121.7° | 120.1° |
| C01 | C02 | H11 | 120.2° | 120.0° |
| C26 | C19 | N03 | 106.8° | 106.2° |
| C19 | C26 | N05 | 106.9° | 107.2° |
| C19 | N03 | C18 | 125.5° | 126.4° |
| C19 | N03 | C27 | 106.9° | 107.3° |
| C03 | C13 | C14 | 120.5° | 120.0° |
| C03 | C13 | H1 | 119.8° | 120.0° |
| C26 | N05 | C27 | 107.6° | 109.6° |
| N02 | C16 | C17 | 90.2° | 86.1° |
| C16 | N02 | S01 | 126.5° | 134.5° |
| C16 | N02 | C | 88.7° | 91.0° |
| N02 | C16 | H15 | 114.0° | 113.8° |
| N02 | C16 | H16 | 114.0° | 113.8° |
| C16 | C17 | C18 | 115.0° | 113.7° |
| C16 | C17 | C | 89.2° | 86.3° |
| C16 | C17 | H3 | 113.5° | 113.8° |
| C17 | C16 | H15 | 114.1° | 113.8° |
| C17 | C16 | H16 | 114.0° | 113.8° |
| C01 | S01 | N02 | 104.5° | 107.2° |
| C01 | S01 | O | 111.3° | 106.4° |
| S01 | C01 | C15 | 123.0° | 120.0° |
| N02 | S01 | O | 113.9° | 106.4° |
| S01 | N02 | C | 135.6° | 134.5° |
| C01 | C15 | C14 | 118.7° | 120.0° |
| C01 | C15 | H2 | 120.6° | 120.1° |
| N02 | C | C17 | 90.5° | 86.1° |
| N02 | C | H9 | 114.0° | 113.8° |
| N02 | C | H10 | 114.0° | 113.8° |
| C13 | C14 | C15 | 119.5° | 120.0° |
| C14 | C13 | H1 | 119.8° | 120.0° |
| C13 | C14 | H14 | 120.2° | 120.0° |
| C18 | N03 | C27 | 127.5° | 126.3° |
| N03 | C18 | C17 | 110.4° | 109.4° |
| N03 | C18 | H17 | 109.2° | 109.5° |
| N03 | C18 | H18 | 109.2° | 109.5° |
| N03 | C27 | N05 | 111.8° | 109.7° |
| N03 | C27 | C28 | 125.1° | 125.1° |
| C18 | C17 | C | 111.5° | 113.7° |
| C18 | C17 | H3 | 112.3° | 113.0° |
| C17 | C18 | H17 | 109.3° | 109.4° |
| C17 | C18 | H18 | 109.2° | 109.5° |
| C | C17 | H3 | 113.5° | 113.8° |
| C17 | C | H9 | 114.0° | 113.8° |
| C17 | C | H10 | 114.0° | 113.7° |
| N05 | C27 | C28 | 123.1° | 125.2° |
| C14 | C15 | H2 | 120.7° | 120.0° |
| C15 | C14 | H14 | 120.3° | 120.0° |
| C27 | C28 | O10 | 125.1° | 126.0° |
| C27 | C28 | C29 | 123.6° | 126.0° |
| O10 | C28 | C29 | 111.2° | 108.1° |
| C28 | O10 | C31 | 109.7° | 109.4° |
| C28 | C29 | C30 | 103.6° | 106.7° |
| C28 | C29 | H20 | 128.2° | 126.6° |
| O10 | C31 | C30 | 109.1° | 108.7° |
| O10 | C31 | C1 | 124.0° | 125.6° |
| C29 | C30 | C31 | 106.3° | 107.1° |
| C30 | C29 | H20 | 128.2° | 126.6° |
| C29 | C30 | H21 | 126.9° | 126.5° |
| C36 | C35 | N07 | 126.4° | 125.9° |
| C36 | C35 | C34 | 126.9° | 125.9° |
| C35 | C36 | H25 | 109.5° | 109.5° |
| C35 | C36 | H26 | 109.4° | 109.4° |
| C35 | C36 | H27 | 109.5° | 109.5° |
| C30 | C31 | C1 | 126.8° | 125.7° |
| C31 | C30 | H21 | 126.9° | 126.4° |
| C31 | C1 | N06 | 103.0° | 109.5° |
| C31 | C1 | H12 | 111.1° | 109.5° |
| C31 | C1 | H13 | 111.1° | 109.5° |
| C35 | N07 | N06 | 110.9° | 108.2° |
| N07 | C35 | C34 | 106.7° | 108.2° |
| N07 | N06 | C1 | 124.5° | 126.1° |
| N07 | N06 | C32 | 110.8° | 107.9° |
| C35 | C34 | C32 | 104.7° | 107.9° |
| C35 | C34 | N | 127.7° | 126.1° |
| C1 | N06 | C32 | 124.6° | 126.0° |
| N06 | C1 | H12 | 111.1° | 109.5° |
| N06 | C1 | H13 | 111.1° | 109.5° |
| N06 | C32 | C34 | 106.8° | 107.7° |
| N06 | C32 | C33 | 125.1° | 126.1° |
| C32 | C34 | N | 127.6° | 126.0° |
| C34 | C32 | C33 | 128.0° | 126.1° |
| C34 | N | O09 | 121.7° | 119.9° |
| C34 | N | O08 | 118.0° | 120.0° |
| C32 | C33 | H22 | 109.5° | 109.5° |
| C32 | C33 | H23 | 109.5° | 109.4° |
| C32 | C33 | H24 | 109.4° | 109.4° |
| O09 | N | O08 | 120.2° | 120.0° |
| H6 | C24 | H7 | 109.5° | 109.5° |
| H6 | C24 | H8 | 109.5° | 109.5° |
| H7 | C24 | H8 | 109.5° | 109.4° |
| H9 | C | H10 | 109.5° | 113.0° |
| H12 | C1 | H13 | 109.4° | 109.5° |
| H15 | C16 | H16 | 109.5° | 113.0° |
| H17 | C18 | H18 | 109.4° | 109.5° |
| H22 | C33 | H23 | 109.4° | 109.5° |
| H22 | C33 | H24 | 109.5° | 109.5° |
| H23 | C33 | H24 | 109.5° | 109.5° |
| H25 | C36 | H26 | 109.5° | 109.4° |
| H25 | C36 | H27 | 109.5° | 109.5° |
| H26 | C36 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O07 | C23 | N04 | C24 | 0.5° | 0.0° |
| O07 | C23 | N04 | C22 | 178.8° | 179.9° |
| O07 | C23 | C22 | C21 | 59.2° | 180.0° |
| O07 | C23 | C22 | C25 | 122.7° | 0.1° |
| O07 | C23 | N04 | H28 | 179.5° | 179.9° |
| C24 | N04 | C23 | H28 | 180.0° | 180.0° |
| C24 | N04 | C23 | C22 | 179.3° | 180.0° |
| N04 | C24 | H6 | H7 | 120.0° | 120.0° |
| N04 | C24 | H6 | H8 | 120.0° | 120.0° |
| N04 | C24 | H7 | H8 | 120.0° | 120.0° |
| N04 | C23 | C22 | C21 | 119.6° | 0.0° |
| N04 | C23 | C22 | C25 | 58.4° | 180.0° |
| C23 | N04 | C24 | H6 | 180.0° | 60.0° |
| C23 | N04 | C24 | H7 | 60.0° | 180.0° |
| C23 | N04 | C24 | H8 | 60.0° | 60.0° |
| C23 | C22 | C21 | C25 | 178.0° | 179.9° |
| C23 | C22 | C21 | C20 | 178.7° | 180.0° |
| C23 | C22 | C25 | C26 | 178.7° | 179.7° |
| C23 | C22 | C21 | H5 | 1.3° | 0.0° |
| C23 | C22 | C25 | H19 | 1.3° | 0.1° |
| C22 | C23 | N04 | H28 | 0.7° | 0.0° |
| C22 | C21 | C20 | H5 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.6° | 0.1° |
| C21 | C22 | C25 | C26 | 0.6° | 0.4° |
| C22 | C21 | C20 | H4 | 179.5° | 179.8° |
| C21 | C22 | C25 | H19 | 179.4° | 180.0° |
| C20 | C21 | C22 | C25 | 0.7° | 0.1° |
| C21 | C20 | C19 | H4 | 180.0° | 179.7° |
| C21 | C20 | C19 | C26 | 0.3° | 0.3° |
| C21 | C20 | C19 | N03 | 179.8° | 179.8° |
| C22 | C25 | C26 | H19 | 180.0° | 179.6° |
| C22 | C25 | C26 | C19 | 0.4° | 0.6° |
| C22 | C25 | C26 | N05 | 179.5° | 179.9° |
| C25 | C22 | C21 | H5 | 179.3° | 179.9° |
| O05 | S | O06 | C03 | 114.6° | 114.1° |
| O05 | S | O06 | O1 | 122.9° | 122.9° |
| O05 | S | C03 | O1 | 129.5° | 113.5° |
| O05 | S | C03 | C02 | 30.6° | 90.0° |
| O05 | S | C03 | C13 | 151.2° | 89.9° |
| C20 | C19 | C26 | C25 | 0.2° | 0.6° |
| C20 | C19 | C26 | N03 | 179.9° | 179.9° |
| C20 | C19 | C26 | N05 | 179.7° | 180.0° |
| C20 | C19 | N03 | C18 | 0.3° | 0.1° |
| C20 | C19 | N03 | C27 | 179.5° | 180.0° |
| C19 | C20 | C21 | H5 | 179.5° | 180.0° |
| O06 | S | C03 | O1 | 129.8° | 132.9° |
| O06 | S | C03 | C02 | 131.2° | 156.5° |
| O06 | S | C03 | C13 | 50.5° | 23.6° |
| O06 | S | O05 | H29 | 0.0° | 66.5° |
| S | C03 | C02 | C13 | 178.3° | 179.9° |
| S | C03 | C02 | C01 | 179.1° | 179.4° |
| S | C03 | C13 | C14 | 179.0° | 180.0° |
| S | C03 | C13 | H1 | 1.0° | 0.4° |
| S | C03 | C02 | H11 | 0.8° | 0.0° |
| C03 | S | O05 | H29 | 111.5° | 180.0° |
| C25 | C26 | C19 | N05 | 180.0° | 179.5° |
| C25 | C26 | C19 | N03 | 179.8° | 179.5° |
| C25 | C26 | N05 | C27 | 179.9° | 179.3° |
| O01 | S01 | C01 | C02 | 45.3° | 155.8° |
| O01 | S01 | N02 | C16 | 39.9° | 156.4° |
| O01 | S01 | C01 | N02 | 122.0° | 113.6° |
| O01 | S01 | C01 | O | 114.5° | 132.9° |
| O01 | S01 | N02 | O | 118.4° | 132.9° |
| O01 | S01 | C01 | C15 | 135.7° | 23.5° |
| O01 | S01 | N02 | C | 175.7° | 23.6° |
| C03 | C02 | C01 | H11 | 180.0° | 179.4° |
| C03 | C02 | C01 | S01 | 178.7° | 179.7° |
| C03 | C02 | C01 | C15 | 0.3° | 0.9° |
| C02 | C03 | C13 | C14 | 0.8° | 0.1° |
| C02 | C03 | C13 | H1 | 179.2° | 179.7° |
| C02 | C03 | S | O1 | 98.9° | 23.5° |
| C01 | C02 | C03 | C13 | 0.9° | 0.6° |
| C02 | C01 | S01 | C15 | 179.0° | 179.4° |
| C02 | C01 | S01 | N02 | 76.7° | 90.6° |
| C02 | C01 | S01 | O | 159.8° | 22.9° |
| C02 | C01 | C15 | C14 | 0.4° | 0.7° |
| C02 | C01 | C15 | H2 | 179.6° | 179.3° |
| C26 | C19 | N03 | C18 | 179.6° | 179.9° |
| C26 | C19 | N03 | C27 | 0.4° | 0.0° |
| C19 | C26 | N05 | C27 | 0.1° | 0.0° |
| C26 | C19 | C20 | H4 | 179.7° | 180.0° |
| C19 | C26 | C25 | H19 | 179.6° | 179.7° |
| N03 | C19 | C26 | N05 | 0.2° | 0.0° |
| C19 | N03 | C18 | C27 | 179.0° | 179.9° |
| C19 | N03 | C18 | C17 | 90.2° | 90.0° |
| C19 | N03 | C27 | N05 | 0.5° | 0.0° |
| C19 | N03 | C27 | C28 | 178.6° | 180.0° |
| N03 | C19 | C20 | H4 | 0.2° | 0.1° |
| C19 | N03 | C18 | H17 | 29.9° | 29.9° |
| C19 | N03 | C18 | H18 | 149.6° | 150.0° |
| C03 | C13 | C14 | H1 | 180.0° | 179.6° |
| C03 | C13 | C14 | C15 | 0.1° | 0.3° |
| C13 | C03 | C02 | H11 | 179.1° | 180.0° |
| C03 | C13 | C14 | H14 | 179.9° | 179.7° |
| C13 | C03 | S | O1 | 79.3° | 156.5° |
| C26 | N05 | C27 | N03 | 0.4° | 0.0° |
| C26 | N05 | C27 | C28 | 178.5° | 180.0° |
| N05 | C26 | C25 | H19 | 0.4° | 0.5° |
| N02 | C16 | C17 | H15 | 116.6° | 114.3° |
| N02 | C16 | C17 | H16 | 116.6° | 114.3° |
| C16 | N02 | S01 | C01 | 79.9° | 90.0° |
| C16 | N02 | S01 | C | 135.8° | 180.0° |
| C16 | N02 | S01 | O | 158.3° | 23.5° |
| N02 | C16 | C17 | C18 | 104.5° | 137.9° |
| N02 | C16 | C17 | C | 8.9° | 23.6° |
| N02 | C16 | C17 | H3 | 124.2° | 90.8° |
| C16 | N02 | C | H9 | 107.8° | 89.7° |
| C16 | N02 | C | H10 | 125.5° | 138.9° |
| N02 | C16 | H15 | H16 | 129.1° | 131.8° |
| C17 | C16 | N02 | S01 | 141.9° | 155.3° |
| C16 | C17 | C18 | N03 | 102.0° | 88.3° |
| C16 | C17 | C18 | C | 99.6° | 96.6° |
| C16 | C17 | C18 | H3 | 131.9° | 131.7° |
| C16 | C17 | C | H3 | 115.4° | 114.4° |
| C16 | C17 | C | H9 | 107.7° | 90.7° |
| C16 | C17 | C | H10 | 125.6° | 138.0° |
| C17 | C16 | H15 | H16 | 129.2° | 131.7° |
| C16 | C17 | C18 | H17 | 18.2° | 151.7° |
| C16 | C17 | C18 | H18 | 137.9° | 31.6° |
| C01 | S01 | N02 | O | 121.7° | 113.5° |
| C01 | S01 | N02 | C | 55.8° | 90.0° |
| S01 | C01 | C15 | C14 | 179.3° | 180.0° |
| S01 | C01 | C15 | H2 | 0.7° | 0.0° |
| S01 | C01 | C02 | H11 | 1.3° | 0.3° |
| N02 | S01 | C01 | C15 | 102.2° | 90.0° |
| S01 | N02 | C | C17 | 137.0° | 155.3° |
| S01 | N02 | C | H9 | 106.3° | 90.3° |
| S01 | N02 | C | H10 | 20.3° | 41.1° |
| S01 | N02 | C16 | H15 | 25.3° | 41.0° |
| S01 | N02 | C16 | H16 | 101.5° | 90.4° |
| O | S01 | C01 | C15 | 21.2° | 156.5° |
| O | S01 | N02 | C | 65.9° | 156.5° |
| C01 | C15 | C14 | C13 | 0.4° | 0.0° |
| C01 | C15 | C14 | H2 | 180.0° | 180.0° |
| C15 | C01 | C02 | H11 | 179.7° | 179.7° |
| C01 | C15 | C14 | H14 | 179.6° | 179.9° |
| N02 | C | C17 | C18 | 107.7° | 137.9° |
| N02 | C | C17 | H9 | 116.7° | 114.3° |
| N02 | C | C17 | H10 | 116.7° | 114.4° |
| N02 | C | C17 | H3 | 124.3° | 90.8° |
| N02 | C | H9 | H10 | 129.0° | 131.8° |
| C | N02 | C16 | H15 | 125.5° | 139.0° |
| C | N02 | C16 | H16 | 107.7° | 89.6° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | H2 | 179.6° | 180.0° |
| N03 | C18 | C17 | H17 | 120.2° | 120.0° |
| N03 | C18 | C17 | H18 | 120.1° | 120.0° |
| N03 | C18 | C17 | C | 158.4° | 175.0° |
| C18 | N03 | C27 | N05 | 179.7° | 179.9° |
| C18 | N03 | C27 | C28 | 2.3° | 0.1° |
| N03 | C18 | C17 | H3 | 29.9° | 43.4° |
| N03 | C18 | H17 | H18 | 119.5° | 120.1° |
| C27 | N03 | C18 | C17 | 88.8° | 90.1° |
| N03 | C27 | N05 | C28 | 178.1° | 179.9° |
| N03 | C27 | C28 | O10 | 27.8° | 15.1° |
| N03 | C27 | C28 | C29 | 149.2° | 165.3° |
| C27 | N03 | C18 | H17 | 151.1° | 150.0° |
| C27 | N03 | C18 | H18 | 31.4° | 29.9° |
| C18 | C17 | C | H3 | 127.9° | 131.2° |
| C18 | C17 | C | H9 | 135.6° | 23.6° |
| C18 | C17 | C | H10 | 8.9° | 107.7° |
| C18 | C17 | C16 | H15 | 12.0° | 107.7° |
| C18 | C17 | C16 | H16 | 138.9° | 23.6° |
| C17 | C18 | H17 | H18 | 119.6° | 120.0° |
| C17 | C | H9 | H10 | 129.0° | 131.7° |
| C | C17 | C16 | H15 | 125.4° | 138.0° |
| C | C17 | C16 | H16 | 107.7° | 90.7° |
| C | C17 | C18 | H17 | 81.4° | 55.1° |
| C | C17 | C18 | H18 | 38.3° | 65.0° |
| N05 | C27 | C28 | O10 | 154.4° | 165.0° |
| N05 | C27 | C28 | C29 | 28.6° | 14.7° |
| C15 | C14 | C13 | H1 | 179.9° | 180.0° |
| C27 | C28 | O10 | C29 | 177.3° | 179.7° |
| C27 | C28 | O10 | C31 | 179.0° | 179.7° |
| C27 | C28 | C29 | C30 | 178.8° | 179.7° |
| C27 | C28 | C29 | H20 | 1.3° | 0.3° |
| O10 | C28 | C29 | C30 | 1.4° | 0.0° |
| C28 | O10 | C31 | C30 | 1.2° | 0.0° |
| C28 | O10 | C31 | C1 | 179.9° | 179.9° |
| O10 | C28 | C29 | H20 | 178.6° | 180.0° |
| C29 | C28 | O10 | C31 | 1.7° | 0.0° |
| C28 | C29 | C30 | H20 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.6° | 0.0° |
| C28 | C29 | C30 | H21 | 179.4° | 180.0° |
| O10 | C31 | C30 | C29 | 0.3° | 0.0° |
| O10 | C31 | C30 | C1 | 178.7° | 179.9° |
| O10 | C31 | C1 | N06 | 72.0° | 90.0° |
| O10 | C31 | C1 | H12 | 169.0° | 30.0° |
| O10 | C31 | C1 | H13 | 47.0° | 150.0° |
| O10 | C31 | C30 | H21 | 179.7° | 180.0° |
| C29 | C30 | C31 | H21 | 180.0° | 179.9° |
| C29 | C30 | C31 | C1 | 179.0° | 179.9° |
| C36 | C35 | N07 | C34 | 179.3° | 180.0° |
| C36 | C35 | N07 | N06 | 179.7° | 179.7° |
| C36 | C35 | C34 | C32 | 179.2° | 180.0° |
| C36 | C35 | C34 | N | 0.2° | 0.0° |
| C35 | C36 | H25 | H26 | 120.0° | 119.9° |
| C35 | C36 | H25 | H27 | 120.0° | 120.0° |
| C35 | C36 | H26 | H27 | 120.0° | 120.0° |
| C30 | C31 | C1 | N06 | 106.5° | 90.0° |
| C30 | C31 | C1 | H12 | 12.5° | 149.9° |
| C30 | C31 | C1 | H13 | 134.5° | 30.0° |
| C31 | C30 | C29 | H20 | 179.4° | 180.0° |
| C31 | C1 | N06 | N07 | 47.9° | 89.8° |
| C31 | C1 | N06 | H12 | 119.0° | 120.0° |
| C31 | C1 | N06 | H13 | 119.0° | 120.0° |
| C31 | C1 | N06 | C32 | 130.8° | 90.0° |
| C31 | C1 | H12 | H13 | 123.0° | 120.0° |
| C1 | C31 | C30 | H21 | 1.0° | 0.1° |
| C35 | N07 | N06 | C1 | 179.6° | 179.7° |
| C35 | N07 | N06 | C32 | 0.7° | 0.4° |
| N07 | C35 | C34 | C32 | 0.1° | 0.0° |
| N07 | C35 | C34 | N | 179.1° | 180.0° |
| N07 | C35 | C36 | H25 | 0.0° | 89.9° |
| N07 | C35 | C36 | H26 | 120.0° | 30.0° |
| N07 | C35 | C36 | H27 | 120.0° | 150.0° |
| N06 | N07 | C35 | C34 | 0.4° | 0.3° |
| N07 | N06 | C1 | C32 | 178.7° | 179.8° |
| N07 | N06 | C32 | C34 | 0.7° | 0.4° |
| N07 | N06 | C32 | C33 | 179.9° | 179.9° |
| N07 | N06 | C1 | H12 | 166.9° | 150.2° |
| N07 | N06 | C1 | H13 | 71.1° | 30.2° |
| C35 | C34 | C32 | N06 | 0.4° | 0.2° |
| C35 | C34 | C32 | N | 179.0° | 179.9° |
| C35 | C34 | C32 | C33 | 179.6° | 180.0° |
| C35 | C34 | N | O09 | 34.0° | 90.0° |
| C35 | C34 | N | O08 | 144.9° | 90.0° |
| C34 | C35 | C36 | H25 | 179.1° | 90.1° |
| C34 | C35 | C36 | H26 | 59.1° | 150.0° |
| C34 | C35 | C36 | H27 | 60.8° | 30.0° |
| C1 | N06 | C32 | C34 | 179.6° | 179.8° |
| C1 | N06 | C32 | C33 | 1.2° | 0.0° |
| N06 | C1 | H12 | H13 | 123.0° | 120.0° |
| N06 | C32 | C34 | C33 | 179.2° | 179.8° |
| N06 | C32 | C34 | N | 179.5° | 179.7° |
| C32 | N06 | C1 | H12 | 11.9° | 30.0° |
| C32 | N06 | C1 | H13 | 110.2° | 150.0° |
| N06 | C32 | C33 | H22 | 89.6° | 90.3° |
| N06 | C32 | C33 | H23 | 150.5° | 29.7° |
| N06 | C32 | C33 | H24 | 30.4° | 149.7° |
| C32 | C34 | N | O09 | 147.2° | 90.0° |
| C32 | C34 | N | O08 | 33.9° | 89.9° |
| C34 | C32 | C33 | H22 | 89.5° | 90.0° |
| C34 | C32 | C33 | H23 | 30.5° | 150.0° |
| C34 | C32 | C33 | H24 | 150.5° | 30.0° |
| N | C34 | C32 | C33 | 1.4° | 0.0° |
| C34 | N | O09 | O08 | 179.0° | 180.0° |
| C32 | C33 | H22 | H23 | 120.0° | 120.0° |
| C32 | C33 | H22 | H24 | 120.0° | 120.0° |
| C32 | C33 | H23 | H24 | 120.0° | 119.9° |
| H1 | C13 | C14 | H14 | 0.1° | 0.1° |
| H2 | C15 | C14 | H14 | 0.4° | 0.1° |
| H3 | C17 | C | H9 | 7.7° | 154.9° |
| H3 | C17 | C | H10 | 119.0° | 23.6° |
| H3 | C17 | C16 | H15 | 119.2° | 23.5° |
| H3 | C17 | C16 | H16 | 7.6° | 154.9° |
| H3 | C17 | C18 | H17 | 150.0° | 76.6° |
| H3 | C17 | C18 | H18 | 90.3° | 163.4° |
| H4 | C20 | C21 | H5 | 0.5° | 0.3° |
| H6 | C24 | H7 | H8 | 120.0° | 120.0° |
| H6 | C24 | N04 | H28 | 0.0° | 119.9° |
| H7 | C24 | N04 | H28 | 120.0° | 0.1° |
| H8 | C24 | N04 | H28 | 120.0° | 120.0° |
| H20 | C29 | C30 | H21 | 0.6° | 0.0° |
| H22 | C33 | H23 | H24 | 120.0° | 120.1° |
| H25 | C36 | H26 | H27 | 120.0° | 120.1° |
| H29 | O05 | S | O1 | 124.6° | 66.4° |
