LZL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N22 | C21 | sing | 1.35Å | 1.35Å | |
| C21 | N20 | sing | 1.36Å | 1.36Å | Aromatic |
| C21 | N18 | doub | 1.35Å | 1.35Å | Aromatic |
| N20 | C15 | doub | 1.34Å | 1.34Å | Aromatic |
| C15 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C12 | doub | 1.49Å | 1.49Å | Aromatic |
| C4 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| N18 | C12 | sing | 1.35Å | 1.35Å | Aromatic |
| C12 | N6 | sing | 1.35Å | 1.35Å | Aromatic |
| N6 | C2 | doub | 1.36Å | 1.36Å | Aromatic |
| C2 | N5 | sing | 1.42Å | 1.42Å | |
| C2 | C1 | sing | 1.50Å | 1.50Å | Aromatic |
| N5 | C11 | sing | 1.42Å | 1.42Å | |
| N5 | C10 | sing | 1.43Å | 1.43Å | |
| C11 | C17 | sing | 1.38Å | 1.38Å | |
| C17 | C16 | doub | 1.36Å | 1.36Å | |
| C16 | C10 | sing | 1.39Å | 1.39Å | |
| C1 | C3 | sing | 1.48Å | 1.48Å | Aromatic |
| C3 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C7 | doub | 1.40Å | 1.40Å | Aromatic |
| C8 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| N22 | H221 | sing | 1.00Å | 1.00Å | |
| N22 | H222 | sing | 1.00Å | 1.00Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.10Å | 1.10Å | |
| C11 | H112 | sing | 1.10Å | 1.10Å | |
| C10 | H101 | sing | 1.10Å | 1.10Å | |
| C10 | H102 | sing | 1.10Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N22 | C21 | N20 | 119.7° | 119.7° |
| N22 | C21 | N18 | 118.6° | 118.6° |
| C21 | N22 | H221 | 109.5° | 109.5° |
| C21 | N22 | H222 | 109.5° | 109.5° |
| N20 | C21 | N18 | 121.7° | 121.7° |
| C21 | N20 | C15 | 122.6° | 122.6° |
| C21 | N18 | C12 | 119.9° | 119.9° |
| N20 | C15 | C9 | 118.7° | 118.7° |
| N20 | C15 | H15 | 120.6° | 120.6° |
| C15 | C9 | C4 | 122.4° | 122.4° |
| C15 | C9 | C12 | 118.2° | 118.2° |
| C9 | C15 | H15 | 120.6° | 120.6° |
| C4 | C9 | C12 | 119.4° | 119.4° |
| C9 | C4 | C1 | 119.3° | 119.3° |
| C9 | C4 | H4 | 120.3° | 120.3° |
| C9 | C12 | N18 | 119.0° | 119.0° |
| C9 | C12 | N6 | 120.4° | 120.4° |
| C4 | C1 | C2 | 119.9° | 119.9° |
| C4 | C1 | C3 | 118.0° | 118.0° |
| C1 | C4 | H4 | 120.4° | 120.4° |
| N18 | C12 | N6 | 120.6° | 120.6° |
| C12 | N6 | C2 | 122.2° | 122.2° |
| N6 | C2 | N5 | 116.3° | 116.3° |
| N6 | C2 | C1 | 118.8° | 118.8° |
| N5 | C2 | C1 | 124.9° | 124.9° |
| C2 | N5 | C11 | 132.4° | 132.4° |
| C2 | N5 | C10 | 121.4° | 121.4° |
| C2 | C1 | C3 | 122.0° | 122.0° |
| C11 | N5 | C10 | 106.1° | 106.1° |
| N5 | C11 | C17 | 105.2° | 105.2° |
| N5 | C11 | H111 | 110.9° | 110.9° |
| N5 | C11 | H112 | 111.8° | 111.8° |
| N5 | C10 | C16 | 101.5° | 101.5° |
| N5 | C10 | H101 | 112.2° | 112.2° |
| N5 | C10 | H102 | 113.9° | 113.9° |
| C11 | C17 | C16 | 103.3° | 103.3° |
| C17 | C11 | H111 | 110.9° | 110.9° |
| C17 | C11 | H112 | 111.8° | 111.8° |
| C11 | C17 | H17 | 128.4° | 128.4° |
| C17 | C16 | C10 | 105.1° | 105.1° |
| C16 | C17 | H17 | 128.3° | 128.3° |
| C17 | C16 | H16 | 127.4° | 127.4° |
| C16 | C10 | H101 | 112.2° | 112.2° |
| C16 | C10 | H102 | 113.9° | 113.9° |
| C10 | C16 | H16 | 127.5° | 127.5° |
| C1 | C3 | C8 | 121.9° | 121.9° |
| C1 | C3 | C7 | 117.6° | 117.6° |
| C8 | C3 | C7 | 120.5° | 120.5° |
| C3 | C8 | C14 | 119.5° | 119.5° |
| C3 | C8 | H8 | 120.3° | 120.3° |
| C3 | C7 | C13 | 120.0° | 120.0° |
| C3 | C7 | H7 | 120.0° | 120.0° |
| C8 | C14 | C19 | 119.9° | 119.9° |
| C14 | C8 | H8 | 120.2° | 120.2° |
| C8 | C14 | H14 | 120.0° | 120.0° |
| C14 | C19 | C13 | 120.7° | 120.7° |
| C19 | C14 | H14 | 120.1° | 120.1° |
| C14 | C19 | H19 | 119.6° | 119.6° |
| C19 | C13 | C7 | 119.5° | 119.5° |
| C13 | C19 | H19 | 119.7° | 119.7° |
| C19 | C13 | H13 | 120.3° | 120.3° |
| C13 | C7 | H7 | 120.0° | 120.0° |
| C7 | C13 | H13 | 120.3° | 120.3° |
| H221 | N22 | H222 | 109.5° | 109.5° |
| H111 | C11 | H112 | 106.2° | 106.2° |
| H101 | C10 | H102 | 103.5° | 103.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N22 | C21 | N20 | N18 | 180.0° | 180.0° |
| N22 | C21 | N20 | C15 | 179.9° | 179.9° |
| N22 | C21 | N18 | C12 | 179.8° | 179.8° |
| C21 | N22 | H221 | H222 | 120.0° | 120.0° |
| C21 | N20 | C15 | C9 | 0.1° | 0.1° |
| N20 | C21 | N18 | C12 | 0.2° | 0.2° |
| N20 | C21 | N22 | H221 | 126.2° | 126.2° |
| N20 | C21 | N22 | H222 | 113.8° | 113.8° |
| C21 | N20 | C15 | H15 | 179.9° | 179.9° |
| N18 | C21 | N20 | C15 | 0.1° | 0.1° |
| C21 | N18 | C12 | C9 | 0.1° | 0.1° |
| C21 | N18 | C12 | N6 | 179.9° | 179.9° |
| N18 | C21 | N22 | H221 | 53.8° | 53.8° |
| N18 | C21 | N22 | H222 | 66.3° | 66.3° |
| N20 | C15 | C9 | H15 | 180.0° | 180.0° |
| N20 | C15 | C9 | C4 | 179.7° | 179.7° |
| N20 | C15 | C9 | C12 | 0.2° | 0.2° |
| C15 | C9 | C4 | C12 | 179.9° | 179.9° |
| C15 | C9 | C4 | C1 | 179.5° | 179.5° |
| C15 | C9 | C12 | N18 | 0.1° | 0.1° |
| C15 | C9 | C12 | N6 | 179.9° | 179.9° |
| C15 | C9 | C4 | H4 | 0.5° | 0.5° |
| C9 | C4 | C1 | H4 | 180.0° | 180.0° |
| C4 | C9 | C12 | N18 | 179.8° | 179.8° |
| C4 | C9 | C12 | N6 | 0.2° | 0.2° |
| C9 | C4 | C1 | C2 | 0.7° | 0.7° |
| C9 | C4 | C1 | C3 | 179.1° | 179.1° |
| C4 | C9 | C15 | H15 | 0.3° | 0.3° |
| C12 | C9 | C4 | C1 | 0.6° | 0.6° |
| C9 | C12 | N18 | N6 | 180.0° | 180.0° |
| C9 | C12 | N6 | C2 | 0.1° | 0.1° |
| C12 | C9 | C15 | H15 | 179.8° | 179.8° |
| C12 | C9 | C4 | H4 | 179.4° | 179.4° |
| C4 | C1 | C2 | N6 | 0.5° | 0.5° |
| C4 | C1 | C2 | N5 | 179.7° | 179.7° |
| C4 | C1 | C2 | C3 | 178.4° | 178.4° |
| C4 | C1 | C3 | C8 | 69.8° | 69.8° |
| C4 | C1 | C3 | C7 | 109.1° | 109.1° |
| N18 | C12 | N6 | C2 | 180.0° | 180.0° |
| C12 | N6 | C2 | N5 | 179.4° | 179.4° |
| C12 | N6 | C2 | C1 | 0.1° | 0.1° |
| N6 | C2 | N5 | C1 | 179.3° | 179.3° |
| N6 | C2 | N5 | C11 | 125.4° | 125.4° |
| N6 | C2 | N5 | C10 | 49.4° | 49.4° |
| N6 | C2 | C1 | C3 | 178.8° | 178.8° |
| C2 | N5 | C11 | C10 | 175.4° | 175.4° |
| C2 | N5 | C11 | C17 | 178.0° | 178.0° |
| C2 | N5 | C10 | C16 | 156.9° | 156.9° |
| N5 | C2 | C1 | C3 | 1.9° | 1.9° |
| C2 | N5 | C11 | H111 | 61.9° | 61.9° |
| C2 | N5 | C11 | H112 | 56.4° | 56.4° |
| C2 | N5 | C10 | H101 | 83.1° | 83.1° |
| C2 | N5 | C10 | H102 | 34.1° | 34.1° |
| C1 | C2 | N5 | C11 | 53.9° | 53.9° |
| C1 | C2 | N5 | C10 | 131.3° | 131.3° |
| C2 | C1 | C3 | C8 | 111.8° | 111.8° |
| C2 | C1 | C3 | C7 | 69.3° | 69.3° |
| C2 | C1 | C4 | H4 | 179.3° | 179.3° |
| N5 | C11 | C17 | H111 | 120.0° | 120.0° |
| N5 | C11 | C17 | H112 | 121.6° | 121.6° |
| N5 | C11 | C17 | C16 | 30.6° | 30.6° |
| C11 | N5 | C10 | C16 | 19.1° | 19.1° |
| N5 | C11 | H111 | H112 | 121.7° | 121.7° |
| C11 | N5 | C10 | H101 | 100.9° | 100.9° |
| C11 | N5 | C10 | H102 | 141.9° | 141.9° |
| N5 | C11 | C17 | H17 | 149.4° | 149.4° |
| C10 | N5 | C11 | C17 | 6.6° | 6.6° |
| N5 | C10 | C16 | C17 | 39.0° | 39.0° |
| N5 | C10 | C16 | H101 | 120.0° | 120.0° |
| N5 | C10 | C16 | H102 | 122.8° | 122.8° |
| C10 | N5 | C11 | H111 | 113.4° | 113.4° |
| C10 | N5 | C11 | H112 | 128.2° | 128.2° |
| N5 | C10 | H101 | H102 | 123.2° | 123.2° |
| N5 | C10 | C16 | H16 | 141.1° | 141.1° |
| C11 | C17 | C16 | H17 | 180.0° | 180.0° |
| C11 | C17 | C16 | C10 | 44.3° | 44.3° |
| C17 | C11 | H111 | H112 | 121.7° | 121.7° |
| C11 | C17 | C16 | H16 | 135.8° | 135.8° |
| C17 | C16 | C10 | H16 | 180.0° | 180.0° |
| C16 | C17 | C11 | H111 | 89.4° | 89.4° |
| C16 | C17 | C11 | H112 | 152.2° | 152.2° |
| C17 | C16 | C10 | H101 | 81.1° | 81.1° |
| C17 | C16 | C10 | H102 | 161.8° | 161.8° |
| C16 | C10 | H101 | H102 | 123.2° | 123.2° |
| C10 | C16 | C17 | H17 | 135.8° | 135.8° |
| C1 | C3 | C8 | C7 | 178.9° | 178.9° |
| C1 | C3 | C8 | C14 | 179.8° | 179.8° |
| C1 | C3 | C7 | C13 | 179.9° | 179.9° |
| C3 | C1 | C4 | H4 | 0.9° | 0.9° |
| C1 | C3 | C8 | H8 | 0.2° | 0.2° |
| C1 | C3 | C7 | H7 | 0.1° | 0.1° |
| C3 | C8 | C14 | H8 | 180.0° | 180.0° |
| C3 | C8 | C14 | C19 | 0.5° | 0.5° |
| C8 | C3 | C7 | C13 | 1.0° | 1.0° |
| C8 | C3 | C7 | H7 | 179.0° | 179.0° |
| C3 | C8 | C14 | H14 | 179.6° | 179.6° |
| C7 | C3 | C8 | C14 | 0.9° | 0.9° |
| C3 | C7 | C13 | C19 | 0.6° | 0.6° |
| C3 | C7 | C13 | H7 | 180.0° | 180.0° |
| C7 | C3 | C8 | H8 | 179.1° | 179.1° |
| C3 | C7 | C13 | H13 | 179.4° | 179.4° |
| C8 | C14 | C19 | H14 | 180.0° | 180.0° |
| C8 | C14 | C19 | C13 | 0.0° | 0.0° |
| C8 | C14 | C19 | H19 | 180.0° | 180.0° |
| C14 | C19 | C13 | H19 | 180.0° | 180.0° |
| C14 | C19 | C13 | C7 | 0.1° | 0.1° |
| C19 | C14 | C8 | H8 | 179.5° | 179.5° |
| C14 | C19 | C13 | H13 | 179.9° | 179.9° |
| C19 | C13 | C7 | H13 | 180.0° | 180.0° |
| C19 | C13 | C7 | H7 | 179.4° | 179.4° |
| C13 | C19 | C14 | H14 | 180.0° | 180.0° |
| C7 | C13 | C19 | H19 | 179.9° | 179.9° |
| H111 | C11 | C17 | H17 | 90.6° | 90.6° |
| H112 | C11 | C17 | H17 | 27.8° | 27.8° |
| H101 | C10 | C16 | H16 | 98.9° | 98.9° |
| H102 | C10 | C16 | H16 | 18.2° | 18.2° |
| H17 | C17 | C16 | H16 | 44.2° | 44.2° |
| H8 | C8 | C14 | H14 | 0.4° | 0.4° |
| H7 | C7 | C13 | H13 | 0.6° | 0.6° |
| H14 | C14 | C19 | H19 | 0.0° | 0.0° |
| H19 | C19 | C13 | H13 | 0.1° | 0.1° |
