10I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| N06 | C05 | doub | 1.30Å | 1.29Å | |
| O20 | C08 | doub | 1.22Å | 1.22Å | |
| C12 | C11 | sing | 1.51Å | 1.50Å | |
| C05 | N04 | sing | 1.37Å | 1.45Å | |
| C05 | N07 | sing | 1.38Å | 1.44Å | |
| C03 | N04 | sing | 1.46Å | 1.47Å | |
| C03 | C02 | sing | 1.53Å | 1.55Å | |
| C14 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | N07 | sing | 1.35Å | 1.44Å | |
| C08 | N09 | sing | 1.35Å | 1.42Å | |
| C11 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C10 | N09 | sing | 1.40Å | 1.44Å | |
| C10 | C17 | doub | 1.39Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.50Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| N04 | H21 | sing | 0.97Å | 1.00Å | |
| N06 | H22 | sing | 0.97Å | 1.00Å | |
| N07 | H23 | sing | 0.97Å | 1.00Å | |
| N09 | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | C11 | 113.2° | 109.4° |
| C13 | C12 | H8 | 108.5° | 109.4° |
| C13 | C12 | H9 | 108.6° | 109.5° |
| C12 | C13 | H10 | 109.5° | 109.5° |
| C12 | C13 | H11 | 109.5° | 109.5° |
| C12 | C13 | H12 | 109.5° | 109.4° |
| N06 | C05 | N04 | 127.1° | 120.0° |
| N06 | C05 | N07 | 117.3° | 120.0° |
| C05 | N06 | H22 | 112.0° | 119.9° |
| O20 | C08 | N07 | 121.8° | 120.0° |
| O20 | C08 | N09 | 121.6° | 120.0° |
| C12 | C11 | C14 | 115.9° | 120.0° |
| C12 | C11 | C10 | 124.1° | 120.0° |
| C11 | C12 | H8 | 108.5° | 109.5° |
| C11 | C12 | H9 | 108.5° | 109.5° |
| N04 | C05 | N07 | 115.5° | 120.0° |
| C05 | N04 | C03 | 124.3° | 120.0° |
| C05 | N04 | H21 | 117.9° | 120.0° |
| C05 | N07 | C08 | 125.8° | 120.1° |
| C05 | N07 | H23 | 117.1° | 120.0° |
| N04 | C03 | C02 | 114.2° | 109.5° |
| N04 | C03 | H6 | 108.3° | 109.5° |
| N04 | C03 | H7 | 108.3° | 109.5° |
| C03 | N04 | H21 | 117.8° | 120.0° |
| C03 | C02 | C01 | 112.1° | 109.5° |
| C03 | C02 | H4 | 108.8° | 109.4° |
| C03 | C02 | H5 | 108.8° | 109.5° |
| C02 | C03 | H6 | 108.3° | 109.4° |
| C02 | C03 | H7 | 108.3° | 109.5° |
| C11 | C14 | C15 | 121.3° | 120.1° |
| C14 | C11 | C10 | 120.0° | 120.0° |
| C11 | C14 | H13 | 119.4° | 120.0° |
| C14 | C15 | C16 | 119.1° | 120.1° |
| C15 | C14 | H13 | 119.4° | 119.9° |
| C14 | C15 | H14 | 120.5° | 120.0° |
| N07 | C08 | N09 | 116.6° | 120.0° |
| C08 | N07 | H23 | 117.1° | 120.0° |
| C08 | N09 | C10 | 126.0° | 120.0° |
| C08 | N09 | H24 | 117.0° | 120.0° |
| C11 | C10 | N09 | 122.5° | 120.1° |
| C11 | C10 | C17 | 118.5° | 119.8° |
| C15 | C16 | C17 | 120.8° | 120.1° |
| C16 | C15 | H14 | 120.4° | 119.9° |
| C15 | C16 | H15 | 119.6° | 120.0° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 108.8° | 109.4° |
| C01 | C02 | H5 | 108.8° | 109.5° |
| N09 | C10 | C17 | 118.9° | 120.0° |
| C10 | N09 | H24 | 117.0° | 120.1° |
| C10 | C17 | C16 | 120.4° | 119.9° |
| C10 | C17 | C18 | 123.8° | 120.1° |
| C16 | C17 | C18 | 115.9° | 120.1° |
| C17 | C16 | H15 | 119.6° | 119.9° |
| C17 | C18 | C19 | 112.5° | 109.5° |
| C17 | C18 | H16 | 108.7° | 109.5° |
| C17 | C18 | H17 | 108.7° | 109.5° |
| C19 | C18 | H16 | 108.7° | 109.5° |
| C19 | C18 | H17 | 108.7° | 109.5° |
| C18 | C19 | H18 | 109.5° | 109.5° |
| C18 | C19 | H19 | 109.5° | 109.4° |
| C18 | C19 | H20 | 109.5° | 109.4° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C02 | H5 | 109.5° | 109.5° |
| H6 | C03 | H7 | 109.4° | 109.4° |
| H8 | C12 | H9 | 109.4° | 109.5° |
| H10 | C13 | H11 | 109.4° | 109.5° |
| H10 | C13 | H12 | 109.5° | 109.5° |
| H11 | C13 | H12 | 109.5° | 109.5° |
| H16 | C18 | H17 | 109.5° | 109.5° |
| H18 | C19 | H19 | 109.4° | 109.5° |
| H18 | C19 | H20 | 109.4° | 109.5° |
| H19 | C19 | H20 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | C11 | H8 | 120.6° | 119.9° |
| C13 | C12 | C11 | H9 | 120.6° | 120.0° |
| C13 | C12 | C11 | C14 | 42.6° | 10.4° |
| C13 | C12 | C11 | C10 | 137.1° | 169.6° |
| C13 | C12 | H8 | H9 | 118.3° | 120.0° |
| C12 | C13 | H10 | H11 | 120.0° | 120.0° |
| C12 | C13 | H10 | H12 | 120.0° | 120.0° |
| C12 | C13 | H11 | H12 | 120.0° | 119.9° |
| N06 | C05 | N04 | N07 | 179.9° | 179.9° |
| N06 | C05 | N04 | C03 | 0.2° | 1.2° |
| N06 | C05 | N07 | C08 | 0.0° | 175.8° |
| N06 | C05 | N04 | H21 | 179.8° | 178.7° |
| N06 | C05 | N07 | H23 | 180.0° | 4.2° |
| O20 | C08 | N07 | C05 | 0.1° | 5.1° |
| O20 | C08 | N07 | N09 | 179.9° | 180.0° |
| O20 | C08 | N09 | C10 | 0.3° | 5.3° |
| O20 | C08 | N07 | H23 | 179.9° | 174.9° |
| O20 | C08 | N09 | H24 | 179.7° | 174.7° |
| C12 | C11 | C14 | C10 | 179.8° | 180.0° |
| C12 | C11 | C14 | C15 | 180.0° | 179.9° |
| C12 | C11 | C10 | N09 | 0.7° | 0.1° |
| C12 | C11 | C10 | C17 | 179.7° | 179.7° |
| C11 | C12 | H8 | H9 | 118.3° | 120.1° |
| C11 | C12 | C13 | H10 | 180.0° | 54.9° |
| C11 | C12 | C13 | H11 | 60.0° | 175.0° |
| C11 | C12 | C13 | H12 | 60.0° | 65.1° |
| C12 | C11 | C14 | H13 | 0.0° | 0.0° |
| C05 | N04 | C03 | H21 | 180.0° | 179.9° |
| C05 | N04 | C03 | C02 | 128.9° | 179.9° |
| N04 | C05 | N07 | C08 | 179.9° | 4.4° |
| C05 | N04 | C03 | H6 | 110.4° | 59.9° |
| C05 | N04 | C03 | H7 | 8.2° | 60.1° |
| N04 | C05 | N06 | H22 | 179.9° | 175.0° |
| N04 | C05 | N07 | H23 | 0.1° | 175.6° |
| N07 | C05 | N04 | C03 | 179.9° | 178.7° |
| C05 | N07 | C08 | H23 | 180.0° | 180.0° |
| C05 | N07 | C08 | N09 | 179.9° | 174.9° |
| N07 | C05 | N04 | H21 | 0.1° | 1.4° |
| N07 | C05 | N06 | H22 | 0.0° | 5.1° |
| N04 | C03 | C02 | H6 | 120.7° | 120.0° |
| N04 | C03 | C02 | H7 | 120.7° | 120.0° |
| N04 | C03 | C02 | C01 | 150.1° | 180.0° |
| N04 | C03 | C02 | H4 | 89.5° | 60.0° |
| N04 | C03 | C02 | H5 | 29.7° | 60.0° |
| N04 | C03 | H6 | H7 | 117.9° | 120.0° |
| C03 | C02 | C01 | H4 | 120.4° | 120.0° |
| C03 | C02 | C01 | H5 | 120.4° | 120.0° |
| C03 | C02 | C01 | H1 | 180.0° | 60.0° |
| C03 | C02 | C01 | H2 | 60.0° | 180.0° |
| C03 | C02 | C01 | H3 | 60.0° | 60.0° |
| C03 | C02 | H4 | H5 | 118.8° | 120.0° |
| C02 | C03 | H6 | H7 | 117.8° | 120.0° |
| C02 | C03 | N04 | H21 | 51.1° | 0.0° |
| C11 | C14 | C15 | H13 | 180.0° | 179.9° |
| C11 | C14 | C15 | C16 | 0.0° | 0.1° |
| C14 | C11 | C10 | N09 | 179.5° | 179.9° |
| C14 | C11 | C10 | C17 | 0.5° | 0.3° |
| C14 | C11 | C12 | H8 | 77.9° | 109.5° |
| C14 | C11 | C12 | H9 | 163.2° | 130.4° |
| C11 | C14 | C15 | H14 | 180.0° | 179.9° |
| C15 | C14 | C11 | C10 | 0.2° | 0.1° |
| C14 | C15 | C16 | H14 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.0° | 0.3° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| N07 | C08 | N09 | C10 | 179.8° | 174.6° |
| N07 | C08 | N09 | H24 | 0.2° | 5.4° |
| C08 | N09 | C10 | C11 | 78.7° | 63.9° |
| C08 | N09 | C10 | H24 | 180.0° | 180.0° |
| C08 | N09 | C10 | C17 | 102.2° | 115.8° |
| N09 | C08 | N07 | H23 | 0.1° | 5.2° |
| C11 | C10 | N09 | C17 | 179.1° | 179.8° |
| C11 | C10 | C17 | C16 | 0.5° | 0.5° |
| C11 | C10 | C17 | C18 | 180.0° | 179.7° |
| C10 | C11 | C12 | H8 | 102.3° | 70.5° |
| C10 | C11 | C12 | H9 | 16.6° | 49.6° |
| C10 | C11 | C14 | H13 | 179.8° | 180.0° |
| C11 | C10 | N09 | H24 | 101.3° | 116.1° |
| C15 | C16 | C17 | C10 | 0.3° | 0.6° |
| C15 | C16 | C17 | H15 | 180.0° | 179.7° |
| C15 | C16 | C17 | C18 | 179.8° | 179.7° |
| C16 | C15 | C14 | H13 | 180.0° | 180.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 118.8° | 120.0° |
| C01 | C02 | C03 | H6 | 29.4° | 60.0° |
| C01 | C02 | C03 | H7 | 89.1° | 60.0° |
| N09 | C10 | C17 | C16 | 179.6° | 179.7° |
| N09 | C10 | C17 | C18 | 0.9° | 0.1° |
| C10 | C17 | C16 | C18 | 179.5° | 179.8° |
| C10 | C17 | C18 | C19 | 87.0° | 85.0° |
| C10 | C17 | C16 | H15 | 179.7° | 179.7° |
| C10 | C17 | C18 | H16 | 33.5° | 155.0° |
| C10 | C17 | C18 | H17 | 152.6° | 35.0° |
| C17 | C10 | N09 | H24 | 77.7° | 64.2° |
| C16 | C17 | C18 | C19 | 93.5° | 94.8° |
| C17 | C16 | C15 | H14 | 180.0° | 179.8° |
| C16 | C17 | C18 | H16 | 146.0° | 25.2° |
| C16 | C17 | C18 | H17 | 26.9° | 145.2° |
| C17 | C18 | C19 | H16 | 120.5° | 120.0° |
| C17 | C18 | C19 | H17 | 120.5° | 120.0° |
| C18 | C17 | C16 | H15 | 0.2° | 0.0° |
| C17 | C18 | H16 | H17 | 118.7° | 120.0° |
| C17 | C18 | C19 | H18 | 180.0° | 60.0° |
| C17 | C18 | C19 | H19 | 60.0° | 60.1° |
| C17 | C18 | C19 | H20 | 60.0° | 180.0° |
| C19 | C18 | H16 | H17 | 118.6° | 120.0° |
| C18 | C19 | H18 | H19 | 120.0° | 120.0° |
| C18 | C19 | H18 | H20 | 120.0° | 120.0° |
| C18 | C19 | H19 | H20 | 120.0° | 119.9° |
| H1 | C01 | H2 | H3 | 120.0° | 119.9° |
| H1 | C01 | C02 | H4 | 59.6° | 180.0° |
| H1 | C01 | C02 | H5 | 59.6° | 60.0° |
| H2 | C01 | C02 | H4 | 179.6° | 60.0° |
| H2 | C01 | C02 | H5 | 60.4° | 60.0° |
| H3 | C01 | C02 | H4 | 60.4° | 60.0° |
| H3 | C01 | C02 | H5 | 179.6° | 180.0° |
| H4 | C02 | C03 | H6 | 149.8° | 179.9° |
| H4 | C02 | C03 | H7 | 31.3° | 60.0° |
| H5 | C02 | C03 | H6 | 91.0° | 60.1° |
| H5 | C02 | C03 | H7 | 150.5° | NaN° |
| H6 | C03 | N04 | H21 | 69.6° | 120.0° |
| H7 | C03 | N04 | H21 | 171.8° | 120.0° |
| H8 | C12 | C13 | H10 | 59.4° | 65.0° |
| H8 | C12 | C13 | H11 | 60.5° | 55.0° |
| H8 | C12 | C13 | H12 | 179.4° | 175.0° |
| H9 | C12 | C13 | H10 | 59.4° | 175.0° |
| H9 | C12 | C13 | H11 | 179.4° | 65.0° |
| H9 | C12 | C13 | H12 | 60.6° | 55.0° |
| H10 | C13 | H11 | H12 | 120.0° | 120.0° |
| H13 | C14 | C15 | H14 | 0.0° | 0.1° |
| H14 | C15 | C16 | H15 | 0.0° | 0.1° |
| H16 | C18 | C19 | H18 | 59.5° | 180.0° |
| H16 | C18 | C19 | H19 | 179.5° | 59.9° |
| H16 | C18 | C19 | H20 | 60.4° | 60.0° |
| H17 | C18 | C19 | H18 | 59.5° | 60.0° |
| H17 | C18 | C19 | H19 | 60.5° | 180.0° |
| H17 | C18 | C19 | H20 | 179.5° | 60.0° |
| H18 | C19 | H19 | H20 | 120.0° | 120.0° |
