VKI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.42Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | doub | 1.39Å | 1.37Å | Aromatic |
| O07 | C04 | sing | 1.36Å | 1.39Å | |
| C08 | O07 | sing | 1.43Å | 1.39Å | |
| C02 | C01 | sing | 1.39Å | 1.37Å | Aromatic |
| C09 | C01 | sing | 1.48Å | 1.57Å | |
| C10 | C09 | doub | 1.40Å | 1.43Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.45Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.44Å | Aromatic |
| C13 | C12 | sing | 1.41Å | 1.42Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.46Å | Aromatic |
| C15 | C13 | sing | 1.48Å | 1.54Å | |
| C17 | C16 | sing | 1.41Å | 1.52Å | |
| N18 | C17 | doub | 1.30Å | 1.40Å | Aromatic |
| C20 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
| S21 | C20 | sing | 1.76Å | 1.66Å | Aromatic |
| C22 | C20 | sing | 1.39Å | 1.42Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.43Å | Aromatic |
| C25 | C24 | doub | 1.37Å | 1.40Å | Aromatic |
| C19 | N18 | sing | 1.34Å | 1.45Å | Aromatic |
| C26 | N18 | sing | 1.46Å | 1.46Å | |
| C27 | C26 | sing | 1.51Å | 1.57Å | |
| O28 | C27 | doub | 1.21Å | 1.19Å | |
| N29 | C27 | sing | 1.35Å | 1.47Å | |
| C16 | C15 | doub | 1.38Å | 1.33Å | |
| C57 | C15 | sing | 1.47Å | 1.47Å | |
| C58 | C57 | doub | 1.35Å | 1.50Å | |
| N59 | C58 | sing | 1.37Å | 1.48Å | |
| C60 | N59 | sing | 1.46Å | 1.51Å | |
| C01 | C06 | doub | 1.39Å | 1.41Å | Aromatic |
| C09 | C14 | sing | 1.39Å | 1.43Å | Aromatic |
| C12 | N59 | sing | 1.38Å | 1.54Å | |
| C17 | S21 | sing | 1.76Å | 1.70Å | Aromatic |
| C19 | C25 | sing | 1.41Å | 1.42Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H083 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C57 | H571 | sing | 1.08Å | 1.08Å | |
| C58 | H581 | sing | 1.08Å | 1.08Å | |
| C60 | H603 | sing | 1.09Å | 1.10Å | |
| C60 | H602 | sing | 1.09Å | 1.10Å | |
| C60 | H601 | sing | 1.09Å | 1.10Å | |
| N29 | H1 | sing | 0.97Å | 1.00Å | |
| N29 | C1 | sing | 1.46Å | 38.76Å | |
| C1 | C2 | sing | 1.53Å | 0.00Å | |
| C2 | O1 | sing | 1.43Å | 0.00Å | |
| O1 | C4 | sing | 1.43Å | 0.00Å | |
| C4 | C5 | sing | 1.53Å | 0.00Å | |
| C5 | O2 | sing | 1.43Å | 0.00Å | |
| O2 | C7 | sing | 1.43Å | 0.00Å | |
| C7 | C8 | sing | 1.53Å | 0.00Å | |
| C8 | O3 | sing | 1.43Å | 0.00Å | |
| O3 | C3 | sing | 1.43Å | 0.00Å | |
| C3 | C6 | sing | 1.53Å | 0.00Å | |
| C6 | N1 | sing | 1.47Å | 0.00Å | |
| N1 | C18 | sing | 1.35Å | 0.00Å | |
| C18 | C9 | sing | 1.51Å | 0.00Å | |
| C18 | O4 | doub | 1.21Å | 0.00Å | |
| C9 | C28 | sing | 1.53Å | 0.00Å | |
| C28 | C29 | sing | 1.53Å | 0.00Å | |
| C29 | C30 | sing | 1.53Å | 0.00Å | |
| C30 | C21 | sing | 1.53Å | 0.00Å | |
| C21 | C31 | sing | 1.54Å | 0.00Å | |
| C31 | C32 | sing | 1.53Å | 0.00Å | |
| C32 | C33 | sing | 1.54Å | 0.00Å | |
| C33 | S1 | sing | 1.84Å | 0.00Å | |
| S1 | C21 | sing | 1.84Å | 0.00Å | |
| C31 | N2 | sing | 1.47Å | 0.00Å | |
| N2 | C36 | sing | 1.34Å | 0.00Å | |
| C32 | N3 | sing | 1.47Å | 0.00Å | |
| N3 | C36 | sing | 1.34Å | 0.00Å | |
| C36 | O5 | doub | 1.22Å | 0.00Å | |
| C1 | H2 | sing | 1.09Å | 0.00Å | |
| C1 | H3 | sing | 1.09Å | 0.00Å | |
| C2 | H4 | sing | 1.09Å | 0.00Å | |
| C2 | H5 | sing | 1.09Å | 0.00Å | |
| C4 | H6 | sing | 1.09Å | 0.00Å | |
| C4 | H7 | sing | 1.09Å | 0.00Å | |
| C5 | H8 | sing | 1.09Å | 0.00Å | |
| C5 | H9 | sing | 1.09Å | 0.00Å | |
| C7 | H10 | sing | 1.09Å | 0.00Å | |
| C7 | H11 | sing | 1.09Å | 0.00Å | |
| C8 | H12 | sing | 1.09Å | 0.00Å | |
| C8 | H13 | sing | 1.09Å | 0.00Å | |
| C3 | H14 | sing | 1.09Å | 0.00Å | |
| C3 | H15 | sing | 1.09Å | 0.00Å | |
| C6 | H16 | sing | 1.09Å | 0.00Å | |
| C6 | H17 | sing | 1.09Å | 0.00Å | |
| N1 | H18 | sing | 0.97Å | 0.00Å | |
| C9 | H19 | sing | 1.09Å | 0.00Å | |
| C9 | H20 | sing | 1.09Å | 0.00Å | |
| C28 | H21 | sing | 1.09Å | 0.00Å | |
| C28 | H22 | sing | 1.09Å | 0.00Å | |
| C29 | H23 | sing | 1.09Å | 0.00Å | |
| C29 | H24 | sing | 1.09Å | 0.00Å | |
| C30 | H25 | sing | 1.09Å | 0.00Å | |
| C30 | H26 | sing | 1.09Å | 0.00Å | |
| C21 | H27 | sing | 1.09Å | 0.00Å | |
| C31 | H28 | sing | 1.09Å | 0.00Å | |
| C32 | H29 | sing | 1.09Å | 0.00Å | |
| C33 | H30 | sing | 1.09Å | 0.00Å | |
| C33 | H31 | sing | 1.09Å | 0.00Å | |
| N2 | H32 | sing | 0.97Å | 0.00Å | |
| N3 | H33 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C03 | C04 | 119.9° | 120.1° |
| C03 | C02 | C01 | 119.8° | 119.9° |
| C03 | C02 | H021 | 120.1° | 120.0° |
| C02 | C03 | H031 | 120.0° | 120.0° |
| C03 | C04 | C05 | 120.2° | 120.1° |
| C03 | C04 | O07 | 119.2° | 119.9° |
| C04 | C03 | H031 | 120.1° | 120.0° |
| C06 | C05 | C04 | 119.7° | 120.1° |
| C05 | C06 | C01 | 119.8° | 119.9° |
| C06 | C05 | H051 | 120.1° | 120.0° |
| C05 | C06 | H061 | 120.1° | 120.0° |
| C05 | C04 | O07 | 120.6° | 119.9° |
| C04 | C05 | H051 | 120.2° | 120.0° |
| C04 | O07 | C08 | 112.6° | 117.0° |
| O07 | C08 | H081 | 109.5° | 109.5° |
| O07 | C08 | H082 | 109.5° | 109.5° |
| O07 | C08 | H083 | 109.5° | 109.5° |
| C02 | C01 | C09 | 118.9° | 120.1° |
| C02 | C01 | C06 | 120.5° | 119.9° |
| C01 | C02 | H021 | 120.1° | 120.0° |
| C01 | C09 | C10 | 119.6° | 120.0° |
| C09 | C01 | C06 | 120.6° | 120.0° |
| C01 | C09 | C14 | 120.0° | 119.9° |
| C09 | C10 | C11 | 120.2° | 120.5° |
| C10 | C09 | C14 | 120.4° | 120.1° |
| C09 | C10 | H101 | 119.9° | 119.7° |
| C10 | C11 | C12 | 119.7° | 120.0° |
| C11 | C10 | H101 | 119.9° | 119.7° |
| C10 | C11 | H111 | 120.2° | 120.0° |
| C11 | C12 | C13 | 120.1° | 119.5° |
| C11 | C12 | N59 | 119.7° | 120.9° |
| C12 | C11 | H111 | 120.2° | 119.9° |
| C12 | C13 | C14 | 120.3° | 120.4° |
| C12 | C13 | C15 | 120.4° | 118.1° |
| C13 | C12 | N59 | 120.2° | 119.5° |
| C14 | C13 | C15 | 119.3° | 121.5° |
| C13 | C14 | C09 | 119.4° | 119.4° |
| C13 | C14 | H141 | 120.3° | 120.3° |
| C13 | C15 | C16 | 116.9° | 121.5° |
| C13 | C15 | C57 | 119.8° | 116.9° |
| C16 | C17 | N18 | 122.2° | 124.8° |
| C17 | C16 | C15 | 126.7° | 120.0° |
| C16 | C17 | S21 | 128.7° | 124.9° |
| C17 | C16 | H161 | 116.7° | 120.0° |
| C17 | N18 | C19 | 109.7° | 117.7° |
| C17 | N18 | C26 | 124.4° | 121.2° |
| N18 | C17 | S21 | 109.1° | 110.3° |
| C19 | C20 | S21 | 106.3° | 108.5° |
| C19 | C20 | C22 | 120.6° | 120.4° |
| C20 | C19 | N18 | 116.4° | 113.0° |
| C20 | C19 | C25 | 120.3° | 118.4° |
| S21 | C20 | C22 | 133.2° | 131.1° |
| C20 | S21 | C17 | 98.6° | 90.5° |
| C20 | C22 | C23 | 119.2° | 120.2° |
| C20 | C22 | H221 | 120.4° | 119.9° |
| C22 | C23 | C24 | 120.3° | 120.0° |
| C23 | C22 | H221 | 120.4° | 119.9° |
| C22 | C23 | H231 | 119.8° | 120.0° |
| C23 | C24 | C25 | 120.3° | 120.6° |
| C23 | C24 | H241 | 119.9° | 119.7° |
| C24 | C23 | H231 | 119.8° | 120.0° |
| C24 | C25 | C19 | 119.4° | 120.4° |
| C25 | C24 | H241 | 119.9° | 119.7° |
| C24 | C25 | H251 | 120.3° | 119.8° |
| C19 | N18 | C26 | 125.9° | 121.1° |
| N18 | C19 | C25 | 123.4° | 128.6° |
| N18 | C26 | C27 | 112.4° | 109.5° |
| N18 | C26 | H261 | 108.7° | 109.5° |
| N18 | C26 | H262 | 108.7° | 109.4° |
| C26 | C27 | O28 | 120.2° | 120.0° |
| C26 | C27 | N29 | 119.2° | 120.0° |
| C27 | C26 | H261 | 108.7° | 109.5° |
| C27 | C26 | H262 | 108.7° | 109.5° |
| O28 | C27 | N29 | 120.7° | 120.0° |
| C27 | N29 | H1 | 101.6° | 120.0° |
| C27 | N29 | C1 | 156.8° | 120.0° |
| C16 | C15 | C57 | 123.3° | 121.6° |
| C15 | C16 | H161 | 116.7° | 120.0° |
| C15 | C57 | C58 | 119.8° | 119.0° |
| C15 | C57 | H571 | 120.1° | 120.5° |
| C57 | C58 | N59 | 120.3° | 122.0° |
| C58 | C57 | H571 | 120.1° | 120.5° |
| C57 | C58 | H581 | 119.8° | 119.1° |
| C58 | N59 | C60 | 121.0° | 119.1° |
| C58 | N59 | C12 | 119.5° | 121.7° |
| N59 | C58 | H581 | 119.9° | 118.9° |
| C60 | N59 | C12 | 119.5° | 119.2° |
| N59 | C60 | H603 | 109.5° | 109.5° |
| N59 | C60 | H602 | 109.5° | 109.5° |
| N59 | C60 | H601 | 109.5° | 109.5° |
| C01 | C06 | H061 | 120.1° | 120.1° |
| C09 | C14 | H141 | 120.3° | 120.3° |
| C19 | C25 | H251 | 120.3° | 119.8° |
| H261 | C26 | H262 | 109.4° | 109.4° |
| H081 | C08 | H082 | 109.4° | 109.4° |
| H081 | C08 | H083 | 109.5° | 109.5° |
| H082 | C08 | H083 | 109.5° | 109.5° |
| H603 | C60 | H602 | 109.5° | 109.4° |
| H603 | C60 | H601 | 109.5° | 109.5° |
| H602 | C60 | H601 | 109.5° | 109.5° |
| H1 | N29 | C1 | 101.6° | 120.0° |
| N29 | C1 | C2 | 90.0° | 109.5° |
| N29 | C1 | H2 | 90.0° | 109.4° |
| N29 | C1 | H3 | 90.0° | 109.5° |
| C1 | C2 | O1 | 90.0° | 109.5° |
| C2 | C1 | H2 | 90.0° | 109.4° |
| C2 | C1 | H3 | 90.0° | 109.5° |
| C1 | C2 | H4 | 90.0° | 109.4° |
| C1 | C2 | H5 | 90.0° | 109.5° |
| C2 | O1 | C4 | 90.0° | 114.0° |
| O1 | C2 | H4 | 90.0° | 109.5° |
| O1 | C2 | H5 | 90.0° | 109.5° |
| O1 | C4 | C5 | 90.0° | 109.5° |
| O1 | C4 | H6 | 90.0° | 109.4° |
| O1 | C4 | H7 | 90.0° | 109.5° |
| C4 | C5 | O2 | 90.0° | 109.5° |
| C5 | C4 | H6 | 90.0° | 109.5° |
| C5 | C4 | H7 | 90.0° | 109.4° |
| C4 | C5 | H8 | 90.0° | 109.5° |
| C4 | C5 | H9 | 90.0° | 109.4° |
| C5 | O2 | C7 | 90.0° | 114.0° |
| O2 | C5 | H8 | 90.0° | 109.5° |
| O2 | C5 | H9 | 90.0° | 109.4° |
| O2 | C7 | C8 | 90.0° | 109.4° |
| O2 | C7 | H10 | 90.0° | 109.4° |
| O2 | C7 | H11 | 90.0° | 109.5° |
| C7 | C8 | O3 | 90.0° | 109.5° |
| C8 | C7 | H10 | 90.0° | 109.5° |
| C8 | C7 | H11 | 90.0° | 109.4° |
| C7 | C8 | H12 | 90.0° | 109.4° |
| C7 | C8 | H13 | 90.0° | 109.5° |
| C8 | O3 | C3 | 90.0° | 114.0° |
| O3 | C8 | H12 | 90.0° | 109.5° |
| O3 | C8 | H13 | 90.0° | 109.5° |
| O3 | C3 | C6 | 90.0° | 109.5° |
| O3 | C3 | H14 | 90.0° | 109.5° |
| O3 | C3 | H15 | 90.0° | 109.5° |
| C3 | C6 | N1 | 90.0° | 109.5° |
| C6 | C3 | H14 | 90.0° | 109.4° |
| C6 | C3 | H15 | 90.0° | 109.5° |
| C3 | C6 | H16 | 90.0° | 109.5° |
| C3 | C6 | H17 | 90.0° | 109.5° |
| C6 | N1 | C18 | 90.0° | 120.0° |
| N1 | C6 | H16 | 90.0° | 109.5° |
| N1 | C6 | H17 | 90.0° | 109.4° |
| C6 | N1 | H18 | 90.0° | 120.0° |
| N1 | C18 | C9 | 90.0° | 119.9° |
| N1 | C18 | O4 | 90.0° | 120.0° |
| C18 | N1 | H18 | 90.0° | 120.0° |
| C9 | C18 | O4 | 90.0° | 120.0° |
| C18 | C9 | C28 | 90.0° | 109.4° |
| C18 | C9 | H19 | 90.0° | 109.5° |
| C18 | C9 | H20 | 90.0° | 109.5° |
| C9 | C28 | C29 | 90.0° | 109.5° |
| C28 | C9 | H19 | 90.0° | 109.4° |
| C28 | C9 | H20 | 90.0° | 109.5° |
| C9 | C28 | H21 | 90.0° | 109.5° |
| C9 | C28 | H22 | 90.0° | 109.5° |
| C28 | C29 | C30 | 90.0° | 109.5° |
| C29 | C28 | H21 | 90.0° | 109.4° |
| C29 | C28 | H22 | 90.0° | 109.5° |
| C28 | C29 | H23 | 90.0° | 109.4° |
| C28 | C29 | H24 | 90.0° | 109.5° |
| C29 | C30 | C21 | 90.0° | 109.5° |
| C30 | C29 | H23 | 90.0° | 109.5° |
| C30 | C29 | H24 | 90.0° | 109.5° |
| C29 | C30 | H25 | 90.0° | 109.5° |
| C29 | C30 | H26 | 90.0° | 109.5° |
| C30 | C21 | C31 | 90.0° | 110.8° |
| C30 | C21 | S1 | 90.0° | 110.7° |
| C21 | C30 | H25 | 90.0° | 109.4° |
| C21 | C30 | H26 | 90.0° | 109.5° |
| C30 | C21 | H27 | 90.0° | 110.7° |
| C21 | C31 | C32 | 90.0° | 112.4° |
| C31 | C21 | S1 | 90.0° | 102.7° |
| C21 | C31 | N2 | 90.0° | 109.2° |
| C31 | C21 | H27 | 90.0° | 110.7° |
| C21 | C31 | H28 | 90.0° | 110.2° |
| C31 | C32 | C33 | 90.0° | 112.4° |
| C32 | C31 | N2 | 90.0° | 104.0° |
| C31 | C32 | N3 | 90.0° | 104.0° |
| C32 | C31 | H28 | 90.0° | 110.3° |
| C31 | C32 | H29 | 90.0° | 110.3° |
| C32 | C33 | S1 | 90.0° | 102.7° |
| C33 | C32 | N3 | 90.0° | 109.3° |
| C33 | C32 | H29 | 90.0° | 110.2° |
| C32 | C33 | H30 | 90.0° | 110.7° |
| C32 | C33 | H31 | 90.0° | 110.8° |
| C33 | S1 | C21 | 90.0° | 94.8° |
| S1 | C33 | H30 | 90.0° | 110.8° |
| S1 | C33 | H31 | 90.0° | 110.8° |
| S1 | C21 | H27 | 90.0° | 110.9° |
| C31 | N2 | C36 | 90.0° | 109.0° |
| N2 | C31 | H28 | 90.0° | 110.6° |
| C31 | N2 | H32 | 90.0° | 125.4° |
| N2 | C36 | N3 | 90.0° | 113.9° |
| N2 | C36 | O5 | 90.0° | 123.0° |
| C36 | N2 | H32 | 90.0° | 125.5° |
| C32 | N3 | C36 | 90.0° | 109.0° |
| N3 | C32 | H29 | 90.0° | 110.5° |
| C32 | N3 | H33 | 90.0° | 125.4° |
| N3 | C36 | O5 | 90.0° | 123.0° |
| C36 | N3 | H33 | 90.0° | 125.5° |
| H2 | C1 | H3 | 90.0° | 109.5° |
| H4 | C2 | H5 | 90.0° | 109.4° |
| H6 | C4 | H7 | 90.0° | 109.4° |
| H8 | C5 | H9 | 90.0° | 109.5° |
| H10 | C7 | H11 | 90.0° | 109.5° |
| H12 | C8 | H13 | 90.0° | 109.4° |
| H14 | C3 | H15 | 90.0° | 109.5° |
| H16 | C6 | H17 | 90.0° | 109.4° |
| H19 | C9 | H20 | 90.0° | 109.5° |
| H21 | C28 | H22 | 90.0° | 109.4° |
| H23 | C29 | H24 | 90.0° | 109.5° |
| H25 | C30 | H26 | 90.0° | 109.5° |
| H30 | C33 | H31 | 90.0° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C03 | C04 | H031 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.2° | 0.0° |
| C02 | C03 | C04 | O07 | 179.9° | 179.9° |
| C03 | C02 | C01 | H021 | 180.0° | 180.0° |
| C03 | C02 | C01 | C09 | 179.6° | 179.7° |
| C03 | C02 | C01 | C06 | 0.5° | 0.0° |
| C03 | C04 | C05 | C06 | 0.2° | 0.0° |
| C03 | C04 | C05 | O07 | 179.7° | 179.9° |
| C03 | C04 | O07 | C08 | 31.4° | 180.0° |
| C04 | C03 | C02 | C01 | 0.2° | 0.0° |
| C04 | C03 | C02 | H021 | 179.8° | 180.0° |
| C03 | C04 | C05 | H051 | 179.8° | 179.9° |
| C06 | C05 | C04 | H051 | 180.0° | 179.9° |
| C06 | C05 | C04 | O07 | 179.9° | 180.0° |
| C05 | C06 | C01 | C02 | 0.5° | 0.1° |
| C05 | C06 | C01 | C09 | 179.6° | 179.7° |
| C05 | C06 | C01 | H061 | 180.0° | 180.0° |
| C05 | C04 | O07 | C08 | 148.2° | 0.1° |
| C04 | C05 | C06 | C01 | 0.2° | 0.0° |
| C05 | C04 | C03 | H031 | 179.8° | 180.0° |
| C04 | C05 | C06 | H061 | 179.9° | 180.0° |
| O07 | C04 | C03 | H031 | 0.1° | 0.1° |
| O07 | C04 | C05 | H051 | 0.1° | 0.0° |
| C04 | O07 | C08 | H081 | 180.0° | 180.0° |
| C04 | O07 | C08 | H082 | 60.0° | 60.0° |
| C04 | O07 | C08 | H083 | 60.0° | 60.0° |
| O07 | C08 | H081 | H082 | 120.0° | 120.0° |
| O07 | C08 | H081 | H083 | 120.0° | 120.0° |
| O07 | C08 | H082 | H083 | 120.0° | 120.0° |
| C02 | C01 | C09 | C06 | 179.1° | 179.7° |
| C02 | C01 | C09 | C10 | 9.8° | 179.7° |
| C02 | C01 | C09 | C14 | 170.9° | 0.4° |
| C01 | C02 | C03 | H031 | 179.8° | 180.0° |
| C02 | C01 | C06 | H061 | 179.5° | 180.0° |
| C01 | C09 | C10 | C14 | 179.3° | 179.9° |
| C01 | C09 | C10 | C11 | 179.6° | 179.6° |
| C01 | C09 | C14 | C13 | 179.7° | 179.4° |
| C01 | C09 | C10 | H101 | 0.4° | 0.2° |
| C09 | C01 | C02 | H021 | 0.4° | 0.3° |
| C09 | C01 | C06 | H061 | 0.4° | 0.3° |
| C01 | C09 | C14 | H141 | 0.3° | 0.1° |
| C09 | C10 | C11 | H101 | 180.0° | 179.8° |
| C09 | C10 | C11 | C12 | 0.1° | 0.0° |
| C10 | C09 | C14 | C13 | 0.4° | 0.5° |
| C10 | C09 | C01 | C06 | 169.3° | 0.1° |
| C09 | C10 | C11 | H111 | 179.9° | 180.0° |
| C10 | C09 | C14 | H141 | 179.6° | 180.0° |
| C10 | C11 | C12 | H111 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.0° | 0.2° |
| C11 | C10 | C09 | C14 | 0.3° | 0.3° |
| C10 | C11 | C12 | N59 | 179.9° | 179.4° |
| C11 | C12 | C13 | N59 | 179.9° | 179.6° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C11 | C12 | C13 | C15 | 179.9° | 179.6° |
| C11 | C12 | N59 | C58 | 180.0° | 166.1° |
| C11 | C12 | N59 | C60 | 0.1° | 13.9° |
| C12 | C11 | C10 | H101 | 179.9° | 179.7° |
| C12 | C13 | C14 | C15 | 179.8° | 179.5° |
| C12 | C13 | C15 | C16 | 179.7° | 167.6° |
| C12 | C13 | C15 | C57 | 0.2° | 12.3° |
| C13 | C12 | N59 | C58 | 0.0° | 14.3° |
| C13 | C12 | N59 | C60 | 179.9° | 165.6° |
| C12 | C13 | C14 | C09 | 0.3° | 0.4° |
| C13 | C12 | C11 | H111 | 180.0° | 179.9° |
| C12 | C13 | C14 | H141 | 179.7° | 179.8° |
| C14 | C13 | C15 | C16 | 0.5° | 12.8° |
| C14 | C13 | C15 | C57 | 180.0° | 167.3° |
| C13 | C14 | C09 | H141 | 180.0° | 179.5° |
| C14 | C13 | C12 | N59 | 180.0° | 179.6° |
| C13 | C15 | C16 | C17 | 176.0° | 168.4° |
| C13 | C15 | C16 | C57 | 179.4° | 179.9° |
| C13 | C15 | C57 | C58 | 0.1° | 13.1° |
| C15 | C13 | C14 | C09 | 179.9° | 179.9° |
| C15 | C13 | C12 | N59 | 0.2° | 0.9° |
| C15 | C13 | C14 | H141 | 0.1° | 0.6° |
| C13 | C15 | C16 | H161 | 4.1° | 11.5° |
| C13 | C15 | C57 | H571 | 179.9° | 167.4° |
| C16 | C17 | N18 | S21 | 179.1° | 179.8° |
| C16 | C17 | S21 | C20 | 179.6° | 180.0° |
| C16 | C17 | N18 | C19 | 179.7° | 180.0° |
| C16 | C17 | N18 | C26 | 1.0° | 0.0° |
| C17 | C16 | C15 | H161 | 180.0° | 180.0° |
| C17 | C16 | C15 | C57 | 4.6° | 11.5° |
| C17 | N18 | C19 | C20 | 0.3° | 0.1° |
| N18 | C17 | S21 | C20 | 0.6° | 0.3° |
| C17 | N18 | C19 | C26 | 179.3° | 180.0° |
| C17 | N18 | C26 | C27 | 99.8° | 90.0° |
| N18 | C17 | C16 | C15 | 147.1° | 172.8° |
| C17 | N18 | C19 | C25 | 179.6° | 179.9° |
| C17 | N18 | C26 | H261 | 139.7° | 149.9° |
| C17 | N18 | C26 | H262 | 20.6° | 30.0° |
| N18 | C17 | C16 | H161 | 32.9° | 7.2° |
| C19 | C20 | S21 | C22 | 179.7° | 179.9° |
| C19 | C20 | C22 | C23 | 0.1° | 0.0° |
| C20 | C19 | C25 | C24 | 0.1° | 0.0° |
| C20 | C19 | N18 | C25 | 180.0° | 180.0° |
| C20 | C19 | N18 | C26 | 179.7° | 179.9° |
| C19 | C20 | S21 | C17 | 0.4° | 0.2° |
| C19 | C20 | C22 | H221 | 179.9° | 179.9° |
| C20 | C19 | C25 | H251 | 179.9° | 179.9° |
| S21 | C20 | C22 | C23 | 179.8° | 179.9° |
| S21 | C20 | C19 | N18 | 0.1° | 0.1° |
| S21 | C20 | C19 | C25 | 179.9° | 179.9° |
| S21 | C20 | C22 | H221 | 0.2° | 0.1° |
| C20 | C22 | C23 | H221 | 180.0° | 179.9° |
| C20 | C22 | C23 | C24 | 0.0° | 0.1° |
| C22 | C20 | C19 | N18 | 179.9° | 180.0° |
| C22 | C20 | S21 | C17 | 179.8° | 179.9° |
| C22 | C20 | C19 | C25 | 0.1° | 0.0° |
| C20 | C22 | C23 | H231 | 180.0° | 180.0° |
| C22 | C23 | C24 | H231 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.0° | 0.0° |
| C22 | C23 | C24 | H241 | 179.9° | 180.0° |
| C23 | C24 | C25 | H241 | 180.0° | 180.0° |
| C23 | C24 | C25 | C19 | 0.0° | 0.0° |
| C24 | C23 | C22 | H221 | 180.0° | 180.0° |
| C23 | C24 | C25 | H251 | 180.0° | 179.9° |
| C24 | C25 | C19 | N18 | 180.0° | 180.0° |
| C24 | C25 | C19 | H251 | 180.0° | 179.9° |
| C25 | C24 | C23 | H231 | 179.9° | 180.0° |
| C19 | N18 | C26 | C27 | 80.9° | 90.0° |
| C19 | N18 | C17 | S21 | 0.6° | 0.3° |
| C19 | N18 | C26 | H261 | 39.5° | 30.1° |
| C19 | N18 | C26 | H262 | 158.6° | 150.0° |
| N18 | C19 | C25 | H251 | 0.0° | 0.1° |
| N18 | C26 | C27 | H261 | 120.4° | 120.0° |
| N18 | C26 | C27 | H262 | 120.5° | 120.0° |
| N18 | C26 | C27 | O28 | 68.1° | 0.0° |
| N18 | C26 | C27 | N29 | 112.4° | 180.0° |
| C26 | N18 | C17 | S21 | 179.9° | 179.8° |
| C26 | N18 | C19 | C25 | 0.3° | 0.1° |
| N18 | C26 | H261 | H262 | 118.6° | 119.9° |
| C26 | C27 | O28 | N29 | 179.4° | 180.0° |
| C27 | C26 | H261 | H262 | 118.6° | 120.0° |
| C26 | C27 | N29 | H1 | 15.8° | 0.0° |
| C26 | C27 | N29 | C1 | 164.3° | 180.0° |
| O28 | C27 | C26 | H261 | 52.3° | 120.0° |
| O28 | C27 | C26 | H262 | 171.4° | 120.0° |
| O28 | C27 | N29 | H1 | 164.8° | 179.9° |
| O28 | C27 | N29 | C1 | 15.2° | 0.0° |
| N29 | C27 | C26 | H261 | 127.2° | 60.0° |
| N29 | C27 | C26 | H262 | 8.1° | 60.0° |
| C27 | N29 | H1 | C1 | 180.0° | 179.9° |
| C27 | N29 | C1 | C2 | 90.0° | 180.0° |
| C27 | N29 | C1 | H2 | 90.0° | 60.1° |
| C27 | N29 | C1 | H3 | 90.0° | 60.0° |
| C16 | C15 | C57 | C58 | 179.6° | 166.8° |
| C15 | C16 | C17 | S21 | 34.0° | 7.5° |
| C16 | C15 | C57 | H571 | 0.5° | 12.7° |
| C15 | C57 | C58 | H571 | 180.0° | 179.4° |
| C15 | C57 | C58 | N59 | 0.0° | 0.4° |
| C57 | C15 | C16 | H161 | 175.4° | 168.6° |
| C15 | C57 | C58 | H581 | 180.0° | 179.6° |
| C57 | C58 | N59 | H581 | 180.0° | 179.1° |
| C57 | C58 | N59 | C60 | 179.9° | 166.0° |
| C57 | C58 | N59 | C12 | 0.0° | 13.9° |
| C58 | N59 | C60 | C12 | 179.9° | 180.0° |
| N59 | C58 | C57 | H571 | 180.0° | 179.9° |
| C58 | N59 | C60 | H603 | 180.0° | 90.0° |
| C58 | N59 | C60 | H602 | 60.0° | 30.0° |
| C58 | N59 | C60 | H601 | 60.0° | 150.0° |
| C60 | N59 | C58 | H581 | 0.1° | 14.8° |
| N59 | C60 | H603 | H602 | 120.0° | 120.0° |
| N59 | C60 | H603 | H601 | 120.0° | 120.0° |
| N59 | C60 | H602 | H601 | 120.0° | 120.0° |
| C06 | C01 | C09 | C14 | 10.0° | 180.0° |
| C06 | C01 | C02 | H021 | 179.5° | 180.0° |
| C01 | C06 | C05 | H051 | 179.8° | 179.9° |
| C14 | C09 | C10 | H101 | 179.7° | 179.9° |
| N59 | C12 | C11 | H111 | 0.1° | 0.6° |
| C12 | N59 | C58 | H581 | 180.0° | 165.2° |
| C12 | N59 | C60 | H603 | 0.1° | 90.1° |
| C12 | N59 | C60 | H602 | 119.9° | 150.0° |
| C12 | N59 | C60 | H601 | 120.1° | 30.0° |
| S21 | C17 | C16 | H161 | 145.9° | 172.5° |
| C19 | C25 | C24 | H241 | 180.0° | 179.9° |
| H101 | C10 | C11 | H111 | 0.1° | 0.2° |
| H221 | C22 | C23 | H231 | 0.0° | 0.1° |
| H241 | C24 | C23 | H231 | 0.1° | 0.0° |
| H241 | C24 | C25 | H251 | 0.0° | 0.0° |
| H021 | C02 | C03 | H031 | 0.2° | 0.1° |
| H051 | C05 | C06 | H061 | 0.2° | 0.1° |
| H081 | C08 | H082 | H083 | 120.0° | 120.0° |
| H571 | C57 | C58 | H581 | 0.0° | 1.0° |
| H603 | C60 | H602 | H601 | 120.0° | 120.0° |
| H1 | N29 | C1 | C2 | 90.0° | 0.1° |
| H1 | N29 | C1 | H2 | 90.0° | 120.0° |
| H1 | N29 | C1 | H3 | 90.0° | 119.9° |
| N29 | C1 | C2 | H2 | 90.0° | 119.9° |
| N29 | C1 | C2 | H3 | 90.0° | 120.1° |
| N29 | C1 | C2 | O1 | 90.0° | 65.0° |
| N29 | C1 | H2 | H3 | 90.0° | 120.1° |
| N29 | C1 | C2 | H4 | 90.0° | 175.0° |
| N29 | C1 | C2 | H5 | 90.0° | 55.1° |
| C1 | C2 | O1 | H4 | 90.0° | 120.0° |
| C1 | C2 | O1 | H5 | 90.0° | 120.0° |
| C1 | C2 | O1 | C4 | 90.0° | 180.0° |
| C2 | C1 | H2 | H3 | 90.0° | 120.0° |
| C1 | C2 | H4 | H5 | 90.0° | 119.9° |
| C2 | O1 | C4 | C5 | 90.0° | 180.0° |
| O1 | C2 | C1 | H2 | 90.0° | 55.0° |
| O1 | C2 | C1 | H3 | 90.0° | 175.0° |
| O1 | C2 | H4 | H5 | 90.0° | 120.0° |
| C2 | O1 | C4 | H6 | 90.0° | 60.0° |
| C2 | O1 | C4 | H7 | 90.0° | 60.0° |
| O1 | C4 | C5 | H6 | 90.0° | 120.0° |
| O1 | C4 | C5 | H7 | 90.0° | 120.0° |
| O1 | C4 | C5 | O2 | 90.0° | 65.0° |
| C4 | O1 | C2 | H4 | 90.0° | 60.0° |
| C4 | O1 | C2 | H5 | 90.0° | 60.0° |
| O1 | C4 | H6 | H7 | 90.0° | 120.0° |
| O1 | C4 | C5 | H8 | 90.0° | 175.0° |
| O1 | C4 | C5 | H9 | 90.0° | 55.0° |
| C4 | C5 | O2 | H8 | 90.0° | 120.0° |
| C4 | C5 | O2 | H9 | 90.0° | 119.9° |
| C4 | C5 | O2 | C7 | 90.0° | 180.0° |
| C5 | C4 | H6 | H7 | 90.0° | 120.0° |
| C4 | C5 | H8 | H9 | 90.0° | 120.0° |
| C5 | O2 | C7 | C8 | 90.0° | 180.0° |
| O2 | C5 | C4 | H6 | 90.0° | 55.0° |
| O2 | C5 | C4 | H7 | 90.0° | 175.0° |
| O2 | C5 | H8 | H9 | 90.0° | 120.0° |
| C5 | O2 | C7 | H10 | 90.0° | 60.0° |
| C5 | O2 | C7 | H11 | 90.0° | 60.1° |
| O2 | C7 | C8 | H10 | 90.0° | 120.0° |
| O2 | C7 | C8 | H11 | 90.0° | 120.0° |
| O2 | C7 | C8 | O3 | 90.0° | 65.0° |
| C7 | O2 | C5 | H8 | 90.0° | 60.0° |
| C7 | O2 | C5 | H9 | 90.0° | 60.1° |
| O2 | C7 | H10 | H11 | 90.0° | 120.0° |
| O2 | C7 | C8 | H12 | 90.0° | 175.0° |
| O2 | C7 | C8 | H13 | 90.0° | 55.0° |
| C7 | C8 | O3 | H12 | 90.0° | 120.0° |
| C7 | C8 | O3 | H13 | 90.0° | 120.0° |
| C7 | C8 | O3 | C3 | 90.0° | 180.0° |
| C8 | C7 | H10 | H11 | 90.0° | 120.0° |
| C7 | C8 | H12 | H13 | 90.0° | 120.0° |
| C8 | O3 | C3 | C6 | 90.0° | 180.0° |
| O3 | C8 | C7 | H10 | 90.0° | 55.0° |
| O3 | C8 | C7 | H11 | 90.0° | 175.0° |
| O3 | C8 | H12 | H13 | 90.0° | 120.0° |
| C8 | O3 | C3 | H14 | 90.0° | 60.0° |
| C8 | O3 | C3 | H15 | 90.0° | 60.0° |
| O3 | C3 | C6 | H14 | 90.0° | 120.0° |
| O3 | C3 | C6 | H15 | 90.0° | 120.0° |
| O3 | C3 | C6 | N1 | 90.0° | 65.0° |
| C3 | O3 | C8 | H12 | 90.0° | 60.0° |
| C3 | O3 | C8 | H13 | 90.0° | 60.0° |
| O3 | C3 | H14 | H15 | 90.0° | 120.0° |
| O3 | C3 | C6 | H16 | 90.0° | 175.0° |
| O3 | C3 | C6 | H17 | 90.0° | 55.0° |
| C3 | C6 | N1 | H16 | 90.0° | 120.1° |
| C3 | C6 | N1 | H17 | 90.0° | 120.0° |
| C3 | C6 | N1 | C18 | 90.0° | 180.0° |
| C6 | C3 | H14 | H15 | 90.0° | 120.0° |
| C3 | C6 | H16 | H17 | 90.0° | 120.1° |
| C3 | C6 | N1 | H18 | 90.0° | 0.0° |
| C6 | N1 | C18 | H18 | 90.0° | 180.0° |
| C6 | N1 | C18 | C9 | 90.0° | 180.0° |
| C6 | N1 | C18 | O4 | 90.0° | 0.1° |
| N1 | C6 | C3 | H14 | 90.0° | 55.0° |
| N1 | C6 | C3 | H15 | 90.0° | 175.0° |
| N1 | C6 | H16 | H17 | 90.0° | 119.9° |
| N1 | C18 | C9 | O4 | 90.0° | 179.9° |
| N1 | C18 | C9 | C28 | 90.0° | 180.0° |
| C18 | N1 | C6 | H16 | 90.0° | 59.9° |
| C18 | N1 | C6 | H17 | 90.0° | 60.0° |
| N1 | C18 | C9 | H19 | 90.0° | 60.0° |
| N1 | C18 | C9 | H20 | 90.0° | 60.1° |
| C18 | C9 | C28 | H19 | 90.0° | 120.0° |
| C18 | C9 | C28 | H20 | 90.0° | 120.0° |
| C18 | C9 | C28 | C29 | 90.0° | 179.9° |
| C9 | C18 | N1 | H18 | 90.0° | 0.1° |
| C18 | C9 | H19 | H20 | 90.0° | 120.1° |
| C18 | C9 | C28 | H21 | 90.0° | 60.0° |
| C18 | C9 | C28 | H22 | 90.0° | 60.0° |
| O4 | C18 | C9 | C28 | 90.0° | 0.1° |
| O4 | C18 | N1 | H18 | 90.0° | 180.0° |
| O4 | C18 | C9 | H19 | 90.0° | 119.9° |
| O4 | C18 | C9 | H20 | 90.0° | 120.0° |
| C9 | C28 | C29 | H21 | 90.0° | 120.0° |
| C9 | C28 | C29 | H22 | 90.0° | 120.1° |
| C9 | C28 | C29 | C30 | 90.0° | 180.0° |
| C28 | C9 | H19 | H20 | 90.0° | 120.0° |
| C9 | C28 | H21 | H22 | 90.0° | 120.0° |
| C9 | C28 | C29 | H23 | 90.0° | 60.0° |
| C9 | C28 | C29 | H24 | 90.0° | 60.0° |
| C28 | C29 | C30 | H23 | 90.0° | 119.9° |
| C28 | C29 | C30 | H24 | 90.0° | 120.0° |
| C28 | C29 | C30 | C21 | 90.0° | 180.0° |
| C29 | C28 | C9 | H19 | 90.0° | 60.0° |
| C29 | C28 | C9 | H20 | 90.0° | 60.0° |
| C29 | C28 | H21 | H22 | 90.0° | 120.0° |
| C28 | C29 | H23 | H24 | 90.0° | 120.0° |
| C28 | C29 | C30 | H25 | 90.0° | 60.1° |
| C28 | C29 | C30 | H26 | 90.0° | 60.0° |
| C29 | C30 | C21 | H25 | 90.0° | 120.0° |
| C29 | C30 | C21 | H26 | 90.0° | 120.1° |
| C29 | C30 | C21 | C31 | 90.0° | 175.0° |
| C29 | C30 | C21 | S1 | 90.0° | 71.7° |
| C30 | C29 | C28 | H21 | 90.0° | 60.0° |
| C30 | C29 | C28 | H22 | 90.0° | 59.9° |
| C30 | C29 | H23 | H24 | 90.0° | 120.1° |
| C29 | C30 | H25 | H26 | 90.0° | 120.1° |
| C29 | C30 | C21 | H27 | 90.0° | 51.7° |
| C30 | C21 | C31 | S1 | 90.0° | 118.3° |
| C30 | C21 | C31 | H27 | 90.0° | 123.3° |
| C30 | C21 | C31 | C32 | 90.0° | 142.9° |
| C30 | C21 | S1 | C33 | 90.0° | 153.0° |
| C30 | C21 | S1 | H27 | 90.0° | 123.3° |
| C30 | C21 | C31 | N2 | 90.0° | 102.2° |
| C21 | C30 | C29 | H23 | 90.0° | 60.1° |
| C21 | C30 | C29 | H24 | 90.0° | 60.0° |
| C21 | C30 | H25 | H26 | 90.0° | 120.0° |
| C30 | C21 | C31 | H28 | 90.0° | 19.5° |
| C21 | C31 | C32 | N2 | 90.0° | 118.0° |
| C21 | C31 | C32 | H28 | 90.0° | 123.4° |
| C21 | C31 | C32 | C33 | 90.0° | 0.0° |
| C31 | C21 | S1 | C33 | 90.0° | 34.7° |
| C31 | C21 | S1 | H27 | 90.0° | 118.3° |
| C21 | C31 | N2 | H28 | 90.0° | 121.5° |
| C21 | C31 | N2 | C36 | 90.0° | 120.2° |
| C21 | C31 | C32 | N3 | 90.0° | 118.1° |
| C31 | C21 | C30 | H25 | 90.0° | 55.0° |
| C31 | C21 | C30 | H26 | 90.0° | 65.0° |
| C21 | C31 | C32 | H29 | 90.0° | 123.4° |
| C21 | C31 | N2 | H32 | 90.0° | 59.8° |
| C31 | C32 | C33 | N3 | 90.0° | 114.9° |
| C31 | C32 | C33 | H29 | 90.0° | 123.5° |
| C31 | C32 | C33 | S1 | 90.0° | 24.6° |
| C32 | C31 | C21 | S1 | 90.0° | 24.6° |
| C32 | C31 | N2 | H28 | 90.0° | 118.4° |
| C32 | C31 | N2 | C36 | 90.0° | 0.0° |
| C31 | C32 | N3 | H29 | 90.0° | 118.3° |
| C31 | C32 | N3 | C36 | 90.0° | 0.0° |
| C32 | C31 | C21 | H27 | 90.0° | 93.9° |
| C31 | C32 | C33 | H30 | 90.0° | 93.7° |
| C31 | C32 | C33 | H31 | 90.0° | 143.0° |
| C32 | C31 | N2 | H32 | 90.0° | 180.0° |
| C31 | C32 | N3 | H33 | 90.0° | 180.0° |
| C32 | C33 | S1 | H30 | 90.0° | 118.3° |
| C32 | C33 | S1 | H31 | 90.0° | 118.3° |
| C32 | C33 | S1 | C21 | 90.0° | 34.7° |
| C33 | C32 | C31 | N2 | 90.0° | 118.0° |
| C33 | C32 | N3 | H29 | 90.0° | 121.5° |
| C33 | C32 | N3 | C36 | 90.0° | 120.2° |
| C33 | C32 | C31 | H28 | 90.0° | 123.4° |
| C32 | C33 | H30 | H31 | 90.0° | 123.3° |
| C33 | C32 | N3 | H33 | 90.0° | 59.8° |
| S1 | C33 | C32 | N3 | 90.0° | 139.5° |
| C33 | S1 | C21 | H27 | 90.0° | 83.7° |
| S1 | C33 | C32 | H29 | 90.0° | 98.8° |
| S1 | C33 | H30 | H31 | 90.0° | 123.4° |
| S1 | C21 | C31 | N2 | 90.0° | 139.5° |
| S1 | C21 | C30 | H25 | 90.0° | 168.3° |
| S1 | C21 | C30 | H26 | 90.0° | 48.3° |
| S1 | C21 | C31 | H28 | 90.0° | 98.8° |
| C21 | S1 | C33 | H30 | 90.0° | 83.6° |
| C21 | S1 | C33 | H31 | 90.0° | 153.0° |
| C31 | N2 | C36 | H32 | 90.0° | 180.0° |
| N2 | C31 | C32 | N3 | 90.0° | 0.0° |
| C31 | N2 | C36 | N3 | 90.0° | 0.0° |
| C31 | N2 | C36 | O5 | 90.0° | 179.9° |
| N2 | C31 | C21 | H27 | 90.0° | 21.1° |
| N2 | C31 | C32 | H29 | 90.0° | 118.5° |
| N2 | C36 | N3 | C32 | 90.0° | 0.0° |
| N2 | C36 | N3 | O5 | 90.0° | 179.9° |
| C36 | N2 | C31 | H28 | 90.0° | 118.3° |
| N2 | C36 | N3 | H33 | 90.0° | 180.0° |
| C32 | N3 | C36 | H33 | 90.0° | 180.0° |
| C32 | N3 | C36 | O5 | 90.0° | 179.9° |
| N3 | C32 | C31 | H28 | 90.0° | 118.6° |
| N3 | C32 | C33 | H30 | 90.0° | 21.2° |
| N3 | C32 | C33 | H31 | 90.0° | 102.1° |
| C36 | N3 | C32 | H29 | 90.0° | 118.3° |
| N3 | C36 | N2 | H32 | 90.0° | 180.0° |
| O5 | C36 | N2 | H32 | 90.0° | 0.1° |
| O5 | C36 | N3 | H33 | 90.0° | 0.1° |
| H2 | C1 | C2 | H4 | 90.0° | 65.1° |
| H2 | C1 | C2 | H5 | 90.0° | 175.0° |
| H3 | C1 | C2 | H4 | 90.0° | 54.9° |
| H3 | C1 | C2 | H5 | 90.0° | 65.0° |
| H6 | C4 | C5 | H8 | 90.0° | 65.0° |
| H6 | C4 | C5 | H9 | 90.0° | 175.0° |
| H7 | C4 | C5 | H8 | 90.0° | 55.0° |
| H7 | C4 | C5 | H9 | 90.0° | 65.1° |
| H10 | C7 | C8 | H12 | 90.0° | 65.1° |
| H10 | C7 | C8 | H13 | 90.0° | 175.0° |
| H11 | C7 | C8 | H12 | 90.0° | 55.0° |
| H11 | C7 | C8 | H13 | 90.0° | 64.9° |
| H14 | C3 | C6 | H16 | 90.0° | 65.0° |
| H14 | C3 | C6 | H17 | 90.0° | 175.0° |
| H15 | C3 | C6 | H16 | 90.0° | 55.0° |
| H15 | C3 | C6 | H17 | 90.0° | 65.0° |
| H16 | C6 | N1 | H18 | 90.0° | 120.0° |
| H17 | C6 | N1 | H18 | 90.0° | 120.1° |
| H19 | C9 | C28 | H21 | 90.0° | 180.0° |
| H19 | C9 | C28 | H22 | 90.0° | 60.0° |
| H20 | C9 | C28 | H21 | 90.0° | 60.0° |
| H20 | C9 | C28 | H22 | 90.0° | 180.0° |
| H21 | C28 | C29 | H23 | 90.0° | 180.0° |
| H21 | C28 | C29 | H24 | 90.0° | 60.0° |
| H22 | C28 | C29 | H23 | 90.0° | 60.1° |
| H22 | C28 | C29 | H24 | 90.0° | 180.0° |
| H23 | C29 | C30 | H25 | 90.0° | 180.0° |
| H23 | C29 | C30 | H26 | 90.0° | 60.0° |
| H24 | C29 | C30 | H25 | 90.0° | 60.0° |
| H24 | C29 | C30 | H26 | 90.0° | 180.0° |
| H25 | C30 | C21 | H27 | 90.0° | 68.3° |
| H26 | C30 | C21 | H27 | 90.0° | 171.8° |
| H27 | C21 | C31 | H28 | 90.0° | 142.7° |
| H28 | C31 | C32 | H29 | 90.0° | 0.1° |
| H28 | C31 | N2 | H32 | 90.0° | 61.6° |
| H29 | C32 | C33 | H30 | 90.0° | 142.8° |
| H29 | C32 | C33 | H31 | 90.0° | 19.5° |
| H29 | C32 | N3 | H33 | 90.0° | 61.7° |
