H36
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C02 | doub | 1.34Å | 1.40Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.41Å | Aromatic |
| C02 | S01 | sing | 1.71Å | 1.75Å | Aromatic |
| C04 | C05 | doub | 1.36Å | 1.37Å | Aromatic |
| S01 | C05 | sing | 1.76Å | 1.70Å | Aromatic |
| C05 | C06 | sing | 1.47Å | 1.48Å | |
| C34 | C33 | doub | 1.38Å | 1.41Å | Aromatic |
| C34 | C35 | sing | 1.39Å | 1.41Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C06 | N08 | doub | 1.31Å | 1.34Å | |
| C06 | N07 | sing | 1.38Å | 1.34Å | |
| C12 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| N07 | C11 | sing | 1.40Å | 1.38Å | |
| C11 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| O37 | C35 | sing | 1.36Å | 1.39Å | |
| O37 | C38 | sing | 1.43Å | 1.45Å | |
| C35 | C36 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | O17 | sing | 1.36Å | 1.39Å | |
| C32 | C31 | doub | 1.39Å | 1.40Å | Aromatic |
| O17 | C18 | sing | 1.43Å | 1.44Å | |
| C18 | C38 | sing | 1.53Å | 1.53Å | |
| C36 | C31 | sing | 1.39Å | 1.40Å | Aromatic |
| C31 | N27 | sing | 1.40Å | 1.37Å | |
| N27 | C26 | sing | 1.38Å | 1.34Å | |
| N28 | C26 | doub | 1.31Å | 1.33Å | |
| C26 | C25 | sing | 1.47Å | 1.50Å | |
| C25 | S21 | sing | 1.76Å | 1.73Å | Aromatic |
| C25 | C24 | doub | 1.36Å | 1.39Å | Aromatic |
| S21 | C22 | sing | 1.71Å | 1.73Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.34Å | 1.40Å | Aromatic |
| N28 | H1 | sing | 0.97Å | 1.00Å | |
| C22 | H2 | sing | 1.08Å | 1.08Å | |
| C23 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| N27 | H5 | sing | 0.97Å | 1.00Å | |
| C36 | H6 | sing | 1.08Å | 1.08Å | |
| C32 | H7 | sing | 1.08Å | 1.08Å | |
| C33 | H8 | sing | 1.08Å | 1.08Å | |
| C34 | H9 | sing | 1.08Å | 1.08Å | |
| C38 | H10 | sing | 1.09Å | 1.10Å | |
| C38 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| N07 | H18 | sing | 0.97Å | 1.00Å | |
| N08 | H19 | sing | 0.97Å | 1.00Å | |
| C02 | H20 | sing | 1.08Å | 1.08Å | |
| C03 | H21 | sing | 1.08Å | 1.08Å | |
| C04 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C03 | C04 | 116.7° | 115.1° |
| C03 | C02 | S01 | 105.3° | 110.9° |
| C03 | C02 | H20 | 127.3° | 124.5° |
| C02 | C03 | H21 | 121.7° | 122.4° |
| C03 | C04 | C05 | 112.0° | 113.3° |
| C04 | C03 | H21 | 121.7° | 122.5° |
| C03 | C04 | H22 | 124.0° | 123.3° |
| C02 | S01 | C05 | 95.0° | 91.6° |
| S01 | C02 | H20 | 127.3° | 124.6° |
| C04 | C05 | S01 | 111.0° | 109.1° |
| C04 | C05 | C06 | 137.8° | 125.5° |
| C05 | C04 | H22 | 124.0° | 123.3° |
| S01 | C05 | C06 | 111.1° | 125.4° |
| C05 | C06 | N08 | 120.2° | 119.9° |
| C05 | C06 | N07 | 117.1° | 120.0° |
| C33 | C34 | C35 | 120.1° | 120.1° |
| C34 | C33 | C32 | 120.4° | 120.1° |
| C34 | C33 | H8 | 119.8° | 119.9° |
| C33 | C34 | H9 | 119.9° | 119.9° |
| C34 | C35 | O37 | 120.8° | 120.0° |
| C34 | C35 | C36 | 118.8° | 119.9° |
| C35 | C34 | H9 | 120.0° | 120.0° |
| C33 | C32 | C31 | 119.9° | 120.1° |
| C33 | C32 | H7 | 120.0° | 119.9° |
| C32 | C33 | H8 | 119.8° | 120.0° |
| N08 | C06 | N07 | 122.7° | 120.1° |
| C06 | N08 | H19 | 112.0° | 120.0° |
| C06 | N07 | C11 | 122.6° | 119.9° |
| C06 | N07 | H18 | 118.7° | 120.0° |
| C11 | C12 | C13 | 118.6° | 120.0° |
| C12 | C11 | N07 | 125.0° | 120.0° |
| C12 | C11 | C16 | 118.9° | 119.9° |
| C11 | C12 | H16 | 120.7° | 120.0° |
| C12 | C13 | C14 | 121.3° | 120.1° |
| C12 | C13 | H15 | 119.3° | 119.9° |
| C13 | C12 | H16 | 120.7° | 119.9° |
| N07 | C11 | C16 | 116.1° | 120.1° |
| C11 | N07 | H18 | 118.7° | 120.0° |
| C11 | C16 | C15 | 122.9° | 119.9° |
| C11 | C16 | H17 | 118.6° | 120.1° |
| C13 | C14 | C15 | 119.1° | 120.1° |
| C13 | C14 | H14 | 120.5° | 120.0° |
| C14 | C13 | H15 | 119.4° | 120.0° |
| C16 | C15 | C14 | 119.2° | 120.0° |
| C16 | C15 | O17 | 117.1° | 120.0° |
| C15 | C16 | H17 | 118.6° | 120.1° |
| C35 | O37 | C38 | 122.8° | 117.0° |
| O37 | C35 | C36 | 120.5° | 120.1° |
| O37 | C38 | C18 | 110.3° | 109.4° |
| O37 | C38 | H10 | 109.3° | 109.5° |
| O37 | C38 | H11 | 109.3° | 109.5° |
| C35 | C36 | C31 | 121.6° | 119.9° |
| C35 | C36 | H6 | 119.2° | 120.1° |
| C14 | C15 | O17 | 123.7° | 120.0° |
| C15 | C14 | H14 | 120.4° | 119.9° |
| C15 | O17 | C18 | 120.0° | 117.0° |
| C32 | C31 | C36 | 119.3° | 119.9° |
| C32 | C31 | N27 | 120.3° | 120.0° |
| C31 | C32 | H7 | 120.1° | 120.0° |
| O17 | C18 | C38 | 109.5° | 109.5° |
| O17 | C18 | H12 | 109.5° | 109.4° |
| O17 | C18 | H13 | 109.5° | 109.5° |
| C18 | C38 | H10 | 109.2° | 109.5° |
| C18 | C38 | H11 | 109.2° | 109.5° |
| C38 | C18 | H12 | 109.4° | 109.5° |
| C38 | C18 | H13 | 109.5° | 109.5° |
| C36 | C31 | N27 | 120.4° | 120.1° |
| C31 | C36 | H6 | 119.2° | 120.0° |
| C31 | N27 | C26 | 125.1° | 120.0° |
| C31 | N27 | H5 | 117.4° | 120.1° |
| N27 | C26 | N28 | 121.3° | 120.0° |
| N27 | C26 | C25 | 121.3° | 120.0° |
| C26 | N27 | H5 | 117.5° | 119.9° |
| N28 | C26 | C25 | 117.4° | 120.0° |
| C26 | N28 | H1 | 112.0° | 120.1° |
| C26 | C25 | S21 | 117.1° | 125.5° |
| C26 | C25 | C24 | 133.8° | 125.5° |
| S21 | C25 | C24 | 109.1° | 109.1° |
| C25 | S21 | C22 | 95.3° | 91.6° |
| C25 | C24 | C23 | 112.8° | 113.3° |
| C25 | C24 | H4 | 123.6° | 123.3° |
| S21 | C22 | C23 | 106.9° | 110.9° |
| S21 | C22 | H2 | 126.6° | 124.6° |
| C24 | C23 | C22 | 115.9° | 115.1° |
| C24 | C23 | H3 | 122.1° | 122.5° |
| C23 | C24 | H4 | 123.6° | 123.4° |
| C23 | C22 | H2 | 126.5° | 124.5° |
| C22 | C23 | H3 | 122.0° | 122.5° |
| H10 | C38 | H11 | 109.5° | 109.5° |
| H12 | C18 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C03 | C04 | H21 | 180.0° | 179.8° |
| C03 | C02 | S01 | H20 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 1.2° | 0.5° |
| C03 | C02 | S01 | C05 | 0.1° | 0.0° |
| C02 | C03 | C04 | H22 | 178.8° | 180.0° |
| C04 | C03 | C02 | S01 | 0.6° | 0.3° |
| C03 | C04 | C05 | H22 | 180.0° | 179.5° |
| C03 | C04 | C05 | S01 | 1.2° | 0.4° |
| C03 | C04 | C05 | C06 | 178.4° | 179.8° |
| C04 | C03 | C02 | H20 | 179.4° | 179.8° |
| C02 | S01 | C05 | C04 | 0.8° | 0.2° |
| C02 | S01 | C05 | C06 | 178.7° | 180.0° |
| S01 | C02 | C03 | H21 | 179.4° | 179.9° |
| C04 | C05 | S01 | C06 | 178.0° | 179.8° |
| C04 | C05 | C06 | N08 | 150.8° | 0.3° |
| C04 | C05 | C06 | N07 | 31.2° | 179.7° |
| C05 | C04 | C03 | H21 | 178.8° | 179.7° |
| S01 | C05 | C06 | N08 | 32.0° | 180.0° |
| S01 | C05 | C06 | N07 | 146.0° | 0.0° |
| C05 | S01 | C02 | H20 | 179.9° | 180.0° |
| S01 | C05 | C04 | H22 | 178.8° | 179.9° |
| C05 | C06 | N08 | N07 | 177.9° | 180.0° |
| C05 | C06 | N07 | C11 | 27.8° | 174.0° |
| C05 | C06 | N07 | H18 | 152.2° | 6.0° |
| C05 | C06 | N08 | H19 | 177.9° | 172.1° |
| C06 | C05 | C04 | H22 | 1.6° | 0.3° |
| C33 | C34 | C35 | H9 | 180.0° | 179.7° |
| C34 | C33 | C32 | H8 | 180.0° | 179.9° |
| C33 | C34 | C35 | O37 | 178.9° | 180.0° |
| C33 | C34 | C35 | C36 | 0.8° | 0.3° |
| C34 | C33 | C32 | C31 | 0.1° | 0.1° |
| C34 | C33 | C32 | H7 | 179.9° | 180.0° |
| C35 | C34 | C33 | C32 | 0.6° | 0.2° |
| C34 | C35 | O37 | C36 | 179.7° | 179.7° |
| C34 | C35 | O37 | C38 | 151.5° | 0.0° |
| C34 | C35 | C36 | C31 | 0.2° | 0.0° |
| C34 | C35 | C36 | H6 | 179.8° | 180.0° |
| C35 | C34 | C33 | H8 | 179.4° | 179.6° |
| C33 | C32 | C31 | H7 | 180.0° | 180.0° |
| C33 | C32 | C31 | C36 | 0.7° | 0.3° |
| C33 | C32 | C31 | N27 | 178.9° | 180.0° |
| C32 | C33 | C34 | H9 | 179.4° | 179.9° |
| N08 | C06 | N07 | C11 | 150.1° | 6.0° |
| N08 | C06 | N07 | H18 | 29.9° | 174.0° |
| C06 | N07 | C11 | C12 | 36.1° | 137.6° |
| C06 | N07 | C11 | H18 | 180.0° | 180.0° |
| C06 | N07 | C11 | C16 | 145.0° | 42.7° |
| N07 | C06 | N08 | H19 | 0.0° | 7.9° |
| C11 | C12 | C13 | H16 | 180.0° | 179.7° |
| C12 | C11 | N07 | C16 | 178.9° | 179.7° |
| C11 | C12 | C13 | C14 | 1.6° | 0.0° |
| C12 | C11 | C16 | C15 | 1.3° | 0.6° |
| C11 | C12 | C13 | H15 | 178.4° | 179.9° |
| C12 | C11 | C16 | H17 | 178.7° | 179.7° |
| C12 | C11 | N07 | H18 | 143.9° | 42.4° |
| C13 | C12 | C11 | N07 | 178.7° | 180.0° |
| C13 | C12 | C11 | C16 | 0.2° | 0.3° |
| C12 | C13 | C14 | H15 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 2.4° | 0.0° |
| C12 | C13 | C14 | H14 | 177.6° | 180.0° |
| N07 | C11 | C16 | C15 | 177.7° | 179.8° |
| N07 | C11 | C12 | H16 | 1.3° | 0.3° |
| N07 | C11 | C16 | H17 | 2.3° | 0.0° |
| C11 | C16 | C15 | H17 | 180.0° | 179.7° |
| C11 | C16 | C15 | C14 | 0.5° | 0.6° |
| C11 | C16 | C15 | O17 | 179.5° | 179.7° |
| C16 | C11 | C12 | H16 | 179.9° | 180.0° |
| C16 | C11 | N07 | H18 | 35.0° | 137.3° |
| C13 | C14 | C15 | C16 | 1.3° | 0.3° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | O17 | 177.6° | 180.0° |
| C14 | C13 | C12 | H16 | 178.3° | 179.7° |
| C16 | C15 | C14 | O17 | 178.9° | 179.7° |
| C16 | C15 | O17 | C18 | 170.0° | 179.7° |
| C16 | C15 | C14 | H14 | 178.7° | 179.7° |
| C35 | O37 | C38 | C18 | 159.2° | 180.0° |
| O37 | C35 | C36 | C31 | 179.5° | 179.7° |
| O37 | C35 | C36 | H6 | 0.5° | 0.3° |
| O37 | C35 | C34 | H9 | 1.0° | 0.3° |
| C35 | O37 | C38 | H10 | 39.1° | 60.0° |
| C35 | O37 | C38 | H11 | 80.7° | 60.0° |
| C38 | O37 | C35 | C36 | 28.2° | 179.7° |
| O37 | C38 | C18 | O17 | 69.0° | 65.0° |
| O37 | C38 | C18 | H10 | 120.1° | 120.0° |
| O37 | C38 | C18 | H11 | 120.1° | 120.0° |
| O37 | C38 | H10 | H11 | 119.6° | 120.0° |
| O37 | C38 | C18 | H12 | 171.0° | 175.0° |
| O37 | C38 | C18 | H13 | 51.0° | 55.0° |
| C35 | C36 | C31 | C32 | 0.5° | 0.3° |
| C35 | C36 | C31 | H6 | 180.0° | 180.0° |
| C35 | C36 | C31 | N27 | 178.8° | 180.0° |
| C36 | C35 | C34 | H9 | 179.2° | 180.0° |
| C14 | C15 | O17 | C18 | 11.1° | 0.0° |
| C15 | C14 | C13 | H15 | 177.6° | 179.9° |
| C14 | C15 | C16 | H17 | 179.5° | 179.7° |
| C15 | O17 | C18 | C38 | 162.4° | 180.0° |
| C15 | O17 | C18 | H12 | 42.4° | 60.0° |
| C15 | O17 | C18 | H13 | 77.6° | 60.0° |
| O17 | C15 | C14 | H14 | 2.4° | 0.0° |
| O17 | C15 | C16 | H17 | 0.5° | 0.0° |
| C32 | C31 | C36 | N27 | 178.2° | 179.7° |
| C32 | C31 | N27 | C26 | 125.4° | 38.0° |
| C32 | C31 | N27 | H5 | 54.6° | 142.1° |
| C32 | C31 | C36 | H6 | 179.5° | 179.8° |
| C31 | C32 | C33 | H8 | 179.8° | 179.9° |
| O17 | C18 | C38 | H12 | 120.0° | 119.9° |
| O17 | C18 | C38 | H13 | 120.0° | 120.0° |
| O17 | C18 | C38 | H10 | 170.9° | 55.0° |
| O17 | C18 | C38 | H11 | 51.1° | 175.0° |
| O17 | C18 | H12 | H13 | 120.0° | 120.0° |
| C18 | C38 | H10 | H11 | 119.6° | 120.0° |
| C38 | C18 | H12 | H13 | 120.0° | 120.0° |
| C36 | C31 | N27 | C26 | 56.4° | 142.3° |
| C36 | C31 | N27 | H5 | 123.6° | 37.6° |
| C36 | C31 | C32 | H7 | 179.3° | 179.7° |
| C31 | N27 | C26 | H5 | 180.0° | 180.0° |
| C31 | N27 | C26 | N28 | 5.4° | 7.2° |
| C31 | N27 | C26 | C25 | 175.1° | 172.8° |
| N27 | C31 | C36 | H6 | 1.3° | 0.1° |
| N27 | C31 | C32 | H7 | 1.1° | 0.0° |
| N27 | C26 | N28 | C25 | 179.6° | 180.0° |
| N27 | C26 | C25 | S21 | 6.5° | 0.0° |
| N27 | C26 | C25 | C24 | 173.5° | 179.7° |
| N27 | C26 | N28 | H1 | 179.6° | 180.0° |
| N28 | C26 | C25 | S21 | 174.0° | 180.0° |
| N28 | C26 | C25 | C24 | 6.0° | 0.3° |
| N28 | C26 | N27 | H5 | 174.6° | 172.7° |
| C26 | C25 | S21 | C24 | 180.0° | 179.8° |
| C26 | C25 | S21 | C22 | 179.9° | 180.0° |
| C26 | C25 | C24 | C23 | 179.7° | 179.8° |
| C25 | C26 | N28 | H1 | 0.0° | 0.0° |
| C26 | C25 | C24 | H4 | 0.3° | 0.1° |
| C25 | C26 | N27 | H5 | 4.9° | 7.2° |
| S21 | C25 | C24 | C23 | 0.3° | 0.4° |
| C25 | S21 | C22 | C23 | 0.1° | 0.0° |
| C25 | S21 | C22 | H2 | 179.9° | 180.0° |
| S21 | C25 | C24 | H4 | 179.7° | 179.7° |
| C24 | C25 | S21 | C22 | 0.1° | 0.2° |
| C25 | C24 | C23 | H4 | 180.0° | 179.9° |
| C25 | C24 | C23 | C22 | 0.4° | 0.5° |
| C25 | C24 | C23 | H3 | 179.6° | 179.8° |
| S21 | C22 | C23 | C24 | 0.3° | 0.3° |
| S21 | C22 | C23 | H2 | 180.0° | 179.9° |
| S21 | C22 | C23 | H3 | 179.8° | 180.0° |
| C24 | C23 | C22 | H3 | 180.0° | 179.7° |
| C24 | C23 | C22 | H2 | 179.7° | 179.8° |
| C22 | C23 | C24 | H4 | 179.6° | 179.6° |
| H2 | C22 | C23 | H3 | 0.3° | 0.0° |
| H3 | C23 | C24 | H4 | 0.4° | 0.1° |
| H7 | C32 | C33 | H8 | 0.1° | 0.1° |
| H8 | C33 | C34 | H9 | 0.6° | 0.1° |
| H10 | C38 | C18 | H12 | 50.9° | 65.0° |
| H10 | C38 | C18 | H13 | 69.1° | 175.0° |
| H11 | C38 | C18 | H12 | 68.9° | 55.1° |
| H11 | C38 | C18 | H13 | 171.1° | 65.0° |
| H14 | C14 | C13 | H15 | 2.4° | 0.1° |
| H15 | C13 | C12 | H16 | 1.7° | 0.2° |
| H20 | C02 | C03 | H21 | 0.6° | 0.0° |
| H21 | C03 | C04 | H22 | 1.2° | 0.2° |
