A1ART
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O29 | C9 | doub | 1.21Å | 1.24Å | |
| C1 | C9 | sing | 1.51Å | 1.53Å | |
| C9 | N10 | sing | 1.35Å | 1.33Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C4 | C2 | sing | 1.53Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C5 | C2 | sing | 1.53Å | 1.53Å | |
| N10 | C11 | sing | 1.46Å | 1.45Å | |
| C30 | C11 | sing | 1.53Å | 1.54Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| C32 | C30 | sing | 1.53Å | 1.52Å | |
| C26 | C30 | sing | 1.53Å | 1.52Å | |
| O33 | C12 | doub | 1.21Å | 1.23Å | |
| C12 | N13 | sing | 1.35Å | 1.33Å | |
| N13 | C13 | sing | 1.48Å | 1.47Å | |
| N13 | C14 | sing | 1.48Å | 1.45Å | |
| C13 | C16 | sing | 1.54Å | 1.53Å | |
| C16 | C18 | sing | 1.53Å | 1.55Å | |
| C16 | C34 | sing | 1.54Å | 1.53Å | |
| C25 | C18 | sing | 1.53Å | 1.53Å | |
| C23 | C18 | sing | 1.53Å | 1.55Å | |
| C18 | C34 | sing | 1.53Å | 1.54Å | |
| C34 | C14 | sing | 1.54Å | 1.54Å | |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| O38 | C15 | doub | 1.21Å | 1.21Å | |
| C15 | N16 | sing | 1.35Å | 1.33Å | |
| N16 | C17 | sing | 1.47Å | 1.45Å | |
| C8 | C17 | sing | 1.51Å | 1.52Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| N9 | C8 | doub | 1.28Å | 1.26Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C20 | C24 | sing | 1.51Å | 1.49Å | |
| C20 | C21 | sing | 1.55Å | 1.53Å | |
| C24 | O26 | doub | 1.21Å | 1.23Å | |
| N23 | C24 | sing | 1.34Å | 1.34Å | |
| C21 | C22 | sing | 1.54Å | 1.53Å | |
| C22 | N23 | sing | 1.47Å | 1.45Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H34 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.08Å | 1.08Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| N16 | HN16 | sing | 0.97Å | 1.00Å | |
| N23 | HN23 | sing | 0.97Å | 1.00Å | |
| N9 | HO9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O29 | C9 | C1 | 125.1° | 120.0° |
| O29 | C9 | N10 | 122.3° | 120.0° |
| C1 | C9 | N10 | 112.6° | 120.0° |
| C9 | C1 | C2 | 117.4° | 109.5° |
| C9 | C1 | H12 | 107.5° | 109.5° |
| C9 | C1 | H1 | 107.5° | 109.5° |
| C9 | N10 | C11 | 123.5° | 120.0° |
| C9 | N10 | HN10 | 118.3° | 120.0° |
| C1 | C2 | C4 | 109.9° | 109.5° |
| C1 | C2 | C3 | 110.1° | 109.5° |
| C1 | C2 | C5 | 113.0° | 109.5° |
| C2 | C1 | H12 | 107.4° | 109.5° |
| C2 | C1 | H1 | 107.5° | 109.5° |
| C4 | C2 | C3 | 108.8° | 109.5° |
| C4 | C2 | C5 | 103.7° | 109.5° |
| C2 | C4 | H4 | 109.5° | 109.5° |
| C2 | C4 | H41 | 109.5° | 109.5° |
| C2 | C4 | H42 | 109.5° | 109.5° |
| C3 | C2 | C5 | 111.1° | 109.5° |
| C2 | C3 | H3 | 109.5° | 109.5° |
| C2 | C3 | H34 | 109.5° | 109.5° |
| C2 | C3 | H33 | 109.5° | 109.5° |
| C2 | C5 | H51 | 109.5° | 109.5° |
| C2 | C5 | H5 | 109.5° | 109.4° |
| C2 | C5 | H52 | 109.5° | 109.4° |
| N10 | C11 | C30 | 111.5° | 109.5° |
| N10 | C11 | C12 | 107.0° | 109.5° |
| N10 | C11 | H11 | 107.9° | 109.4° |
| C11 | N10 | HN10 | 118.2° | 120.0° |
| C30 | C11 | C12 | 115.9° | 109.5° |
| C11 | C30 | C31 | 109.2° | 109.5° |
| C11 | C30 | C32 | 110.2° | 109.5° |
| C11 | C30 | C26 | 114.2° | 109.5° |
| C30 | C11 | H11 | 106.9° | 109.4° |
| C11 | C12 | O33 | 121.1° | 120.0° |
| C11 | C12 | N13 | 118.0° | 120.0° |
| C12 | C11 | H11 | 107.3° | 109.5° |
| C31 | C30 | C32 | 109.0° | 109.5° |
| C31 | C30 | C26 | 107.2° | 109.4° |
| C30 | C31 | H311 | 109.5° | 109.5° |
| C30 | C31 | H312 | 109.5° | 109.5° |
| C30 | C31 | H31 | 109.5° | 109.5° |
| C32 | C30 | C26 | 106.8° | 109.5° |
| C30 | C32 | H321 | 109.5° | 109.5° |
| C30 | C32 | H32 | 109.5° | 109.5° |
| C30 | C32 | H322 | 109.5° | 109.5° |
| C30 | C26 | H261 | 109.5° | 109.5° |
| C30 | C26 | H262 | 109.5° | 109.5° |
| C30 | C26 | H26 | 109.5° | 109.4° |
| O33 | C12 | N13 | 120.8° | 120.0° |
| C12 | N13 | C13 | 129.7° | 127.8° |
| C12 | N13 | C14 | 117.9° | 127.9° |
| C13 | N13 | C14 | 112.3° | 104.3° |
| N13 | C13 | C16 | 106.2° | 104.6° |
| N13 | C13 | H13 | 110.3° | 110.5° |
| N13 | C13 | H131 | 110.3° | 110.5° |
| N13 | C14 | C34 | 104.5° | 104.6° |
| N13 | C14 | C15 | 106.8° | 110.4° |
| N13 | C14 | H14 | 111.6° | 110.5° |
| C13 | C16 | C18 | 117.4° | 118.1° |
| C13 | C16 | C34 | 105.0° | 105.0° |
| C16 | C13 | H13 | 110.3° | 110.4° |
| C16 | C13 | H131 | 110.2° | 110.4° |
| C13 | C16 | H16 | 119.7° | 117.6° |
| C18 | C16 | C34 | 60.1° | 59.7° |
| C16 | C18 | C25 | 111.7° | 117.4° |
| C16 | C18 | C23 | 116.2° | 117.4° |
| C16 | C18 | C34 | 59.3° | 60.5° |
| C18 | C16 | H16 | 119.3° | 119.5° |
| C16 | C34 | C18 | 60.6° | 59.7° |
| C16 | C34 | C14 | 108.8° | 104.9° |
| C34 | C16 | H16 | 119.7° | 123.1° |
| C16 | C34 | H341 | 119.0° | 121.8° |
| C25 | C18 | C23 | 113.6° | 115.5° |
| C25 | C18 | C34 | 118.3° | 117.4° |
| C18 | C25 | H251 | 109.5° | 109.5° |
| C18 | C25 | H25 | 109.4° | 109.5° |
| C18 | C25 | H252 | 109.5° | 109.5° |
| C23 | C18 | C34 | 124.7° | 117.4° |
| C18 | C23 | H231 | 109.5° | 109.5° |
| C18 | C23 | H232 | 109.4° | 109.5° |
| C18 | C23 | H23 | 109.5° | 109.5° |
| C18 | C34 | C14 | 116.7° | 118.1° |
| C18 | C34 | H341 | 118.8° | 119.6° |
| C34 | C14 | C15 | 112.6° | 110.4° |
| C34 | C14 | H14 | 110.3° | 110.4° |
| C14 | C34 | H341 | 118.9° | 118.1° |
| C14 | C15 | O38 | 119.0° | 120.0° |
| C14 | C15 | N16 | 119.8° | 120.0° |
| C15 | C14 | H14 | 110.8° | 110.3° |
| O38 | C15 | N16 | 121.1° | 120.0° |
| C15 | N16 | C17 | 119.2° | 120.0° |
| C15 | N16 | HN16 | 120.4° | 120.0° |
| N16 | C17 | C8 | 114.1° | 109.4° |
| N16 | C17 | C19 | 114.3° | 109.5° |
| N16 | C17 | H17 | 107.6° | 109.5° |
| C17 | N16 | HN16 | 120.4° | 120.0° |
| C8 | C17 | C19 | 106.7° | 109.5° |
| C17 | C8 | N9 | 117.7° | 120.0° |
| C8 | C17 | H17 | 106.8° | 109.4° |
| C17 | C8 | H81 | 121.2° | 120.0° |
| C17 | C19 | C20 | 116.1° | 109.5° |
| C19 | C17 | H17 | 106.8° | 109.5° |
| C17 | C19 | H191 | 107.8° | 109.5° |
| C17 | C19 | H19 | 107.8° | 109.5° |
| N9 | C8 | H81 | 121.1° | 120.0° |
| C8 | N9 | HO9 | 112.0° | 120.0° |
| C19 | C20 | C24 | 105.5° | 110.5° |
| C19 | C20 | C21 | 110.6° | 110.5° |
| C20 | C19 | H191 | 107.8° | 109.4° |
| C20 | C19 | H19 | 107.8° | 109.4° |
| C19 | C20 | H20 | 112.3° | 110.4° |
| C24 | C20 | C21 | 103.3° | 104.2° |
| C20 | C24 | O26 | 122.1° | 125.0° |
| C20 | C24 | N23 | 111.4° | 110.1° |
| C24 | C20 | H20 | 112.6° | 110.4° |
| C20 | C21 | C22 | 107.6° | 101.8° |
| C21 | C20 | H20 | 112.0° | 110.7° |
| C20 | C21 | H211 | 109.9° | 111.0° |
| C20 | C21 | H21 | 110.0° | 111.0° |
| O26 | C24 | N23 | 126.6° | 124.9° |
| C24 | N23 | C22 | 113.6° | 111.3° |
| C24 | N23 | HN23 | 123.2° | 124.3° |
| C21 | C22 | N23 | 103.7° | 105.5° |
| C22 | C21 | H211 | 109.9° | 111.0° |
| C22 | C21 | H21 | 109.9° | 111.0° |
| C21 | C22 | H221 | 110.9° | 110.2° |
| C21 | C22 | H22 | 110.9° | 110.3° |
| N23 | C22 | H221 | 110.9° | 110.3° |
| N23 | C22 | H22 | 110.9° | 110.3° |
| C22 | N23 | HN23 | 123.2° | 124.4° |
| H12 | C1 | H1 | 109.5° | 109.4° |
| H13 | C13 | H131 | 109.4° | 110.4° |
| H191 | C19 | H19 | 109.4° | 109.5° |
| H211 | C21 | H21 | 109.5° | 110.9° |
| H221 | C22 | H22 | 109.5° | 110.3° |
| H231 | C23 | H232 | 109.5° | 109.4° |
| H231 | C23 | H23 | 109.4° | 109.5° |
| H232 | C23 | H23 | 109.5° | 109.5° |
| H251 | C25 | H25 | 109.5° | 109.4° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H25 | C25 | H252 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H261 | C26 | H26 | 109.4° | 109.4° |
| H262 | C26 | H26 | 109.5° | 109.5° |
| H3 | C3 | H34 | 109.5° | 109.4° |
| H3 | C3 | H33 | 109.5° | 109.4° |
| H34 | C3 | H33 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.4° |
| H311 | C31 | H31 | 109.5° | 109.5° |
| H312 | C31 | H31 | 109.5° | 109.4° |
| H321 | C32 | H32 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H32 | C32 | H322 | 109.5° | 109.4° |
| H4 | C4 | H41 | 109.4° | 109.5° |
| H4 | C4 | H42 | 109.5° | 109.4° |
| H41 | C4 | H42 | 109.5° | 109.5° |
| H51 | C5 | H5 | 109.5° | 109.5° |
| H51 | C5 | H52 | 109.5° | 109.5° |
| H5 | C5 | H52 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O29 | C9 | C1 | N10 | 178.5° | 180.0° |
| O29 | C9 | C1 | C2 | 4.3° | 0.0° |
| O29 | C9 | N10 | C11 | 48.5° | 0.0° |
| O29 | C9 | C1 | H12 | 125.4° | 120.0° |
| O29 | C9 | C1 | H1 | 116.9° | 120.0° |
| O29 | C9 | N10 | HN10 | 131.5° | 180.0° |
| C9 | C1 | C2 | H12 | 121.1° | 120.0° |
| C9 | C1 | C2 | H1 | 121.1° | 120.0° |
| C9 | C1 | C2 | C4 | 174.7° | 180.0° |
| C9 | C1 | C2 | C3 | 65.5° | 60.0° |
| C9 | C1 | C2 | C5 | 59.3° | 60.0° |
| C1 | C9 | N10 | C11 | 132.9° | 180.0° |
| C9 | C1 | H12 | H1 | 116.4° | 120.0° |
| C1 | C9 | N10 | HN10 | 47.1° | 0.0° |
| N10 | C9 | C1 | C2 | 177.2° | 180.0° |
| C9 | N10 | C11 | HN10 | 180.0° | 180.0° |
| C9 | N10 | C11 | C30 | 129.7° | 85.0° |
| C9 | N10 | C11 | C12 | 102.6° | 155.0° |
| N10 | C9 | C1 | H12 | 56.1° | 60.0° |
| N10 | C9 | C1 | H1 | 61.6° | 60.0° |
| C9 | N10 | C11 | H11 | 12.6° | 35.0° |
| C1 | C2 | C4 | C3 | 120.6° | 120.0° |
| C1 | C2 | C4 | C5 | 121.1° | 120.0° |
| C1 | C2 | C3 | C5 | 125.9° | 120.0° |
| C2 | C1 | H12 | H1 | 116.4° | 120.0° |
| C1 | C2 | C3 | H3 | 180.0° | 60.0° |
| C1 | C2 | C3 | H34 | 60.0° | 180.0° |
| C1 | C2 | C3 | H33 | 60.0° | 60.0° |
| C1 | C2 | C4 | H4 | 180.0° | 60.0° |
| C1 | C2 | C4 | H41 | 60.0° | 180.0° |
| C1 | C2 | C4 | H42 | 60.0° | 60.0° |
| C1 | C2 | C5 | H51 | 180.0° | 60.0° |
| C1 | C2 | C5 | H5 | 60.0° | 180.0° |
| C1 | C2 | C5 | H52 | 60.0° | 60.0° |
| C4 | C2 | C3 | C5 | 113.6° | 120.0° |
| C4 | C2 | C1 | H12 | 64.2° | 60.0° |
| C4 | C2 | C1 | H1 | 53.5° | 60.0° |
| C4 | C2 | C3 | H3 | 59.5° | 60.0° |
| C4 | C2 | C3 | H34 | 179.5° | 60.0° |
| C4 | C2 | C3 | H33 | 60.5° | 180.0° |
| C2 | C4 | H4 | H41 | 120.0° | 120.0° |
| C2 | C4 | H4 | H42 | 120.0° | 120.0° |
| C2 | C4 | H41 | H42 | 120.0° | 120.1° |
| C4 | C2 | C5 | H51 | 61.0° | 180.0° |
| C4 | C2 | C5 | H5 | 59.0° | 60.0° |
| C4 | C2 | C5 | H52 | 179.0° | 60.0° |
| C3 | C2 | C1 | H12 | 55.6° | 180.0° |
| C3 | C2 | C1 | H1 | 173.4° | 60.0° |
| C2 | C3 | H3 | H34 | 120.0° | 120.1° |
| C2 | C3 | H3 | H33 | 120.0° | 120.0° |
| C2 | C3 | H34 | H33 | 120.0° | 120.1° |
| C3 | C2 | C4 | H4 | 59.4° | 180.0° |
| C3 | C2 | C4 | H41 | 60.6° | 60.0° |
| C3 | C2 | C4 | H42 | 179.4° | 60.0° |
| C3 | C2 | C5 | H51 | 55.7° | 60.0° |
| C3 | C2 | C5 | H5 | 175.8° | 60.0° |
| C3 | C2 | C5 | H52 | 64.3° | 180.0° |
| C5 | C2 | C1 | H12 | 179.6° | 60.0° |
| C5 | C2 | C1 | H1 | 61.8° | 180.0° |
| C5 | C2 | C3 | H3 | 54.1° | 180.0° |
| C5 | C2 | C3 | H34 | 65.9° | 60.0° |
| C5 | C2 | C3 | H33 | 174.1° | 60.0° |
| C5 | C2 | C4 | H4 | 58.9° | 60.0° |
| C5 | C2 | C4 | H41 | 178.9° | 60.0° |
| C5 | C2 | C4 | H42 | 61.1° | 180.0° |
| C2 | C5 | H51 | H5 | 120.0° | 120.0° |
| C2 | C5 | H51 | H52 | 120.0° | 120.0° |
| C2 | C5 | H5 | H52 | 120.0° | 120.0° |
| N10 | C11 | C30 | C12 | 122.8° | 120.0° |
| N10 | C11 | C30 | H11 | 117.8° | 119.9° |
| N10 | C11 | C12 | H11 | 115.6° | 120.0° |
| N10 | C11 | C30 | C31 | 50.5° | 65.2° |
| N10 | C11 | C30 | C32 | 170.2° | 54.8° |
| N10 | C11 | C30 | C26 | 69.5° | 174.8° |
| N10 | C11 | C12 | O33 | 44.8° | 32.1° |
| N10 | C11 | C12 | N13 | 131.6° | 148.0° |
| C30 | C11 | C12 | H11 | 119.2° | 120.0° |
| C11 | C30 | C31 | C32 | 120.4° | 120.0° |
| C11 | C30 | C31 | C26 | 124.2° | 120.0° |
| C11 | C30 | C32 | C26 | 124.6° | 120.0° |
| C30 | C11 | C12 | O33 | 80.4° | 87.9° |
| C30 | C11 | C12 | N13 | 103.3° | 92.0° |
| C11 | C30 | C26 | H261 | 180.0° | 58.4° |
| C11 | C30 | C26 | H262 | 60.0° | 178.5° |
| C11 | C30 | C26 | H26 | 60.0° | 61.6° |
| C11 | C30 | C31 | H311 | 180.0° | 59.9° |
| C11 | C30 | C31 | H312 | 60.0° | 60.0° |
| C11 | C30 | C31 | H31 | 60.0° | 180.0° |
| C11 | C30 | C32 | H321 | 180.0° | 180.0° |
| C11 | C30 | C32 | H32 | 60.0° | 60.0° |
| C11 | C30 | C32 | H322 | 60.0° | 59.9° |
| C30 | C11 | N10 | HN10 | 50.4° | 95.0° |
| C12 | C11 | C30 | C31 | 173.3° | 174.8° |
| C12 | C11 | C30 | C32 | 67.0° | 65.2° |
| C12 | C11 | C30 | C26 | 53.2° | 54.8° |
| C11 | C12 | O33 | N13 | 176.3° | 179.9° |
| C11 | C12 | N13 | C13 | 8.6° | 5.1° |
| C11 | C12 | N13 | C14 | 174.3° | 174.9° |
| C12 | C11 | N10 | HN10 | 77.3° | 25.0° |
| C31 | C30 | C32 | C26 | 115.6° | 119.9° |
| C31 | C30 | C11 | H11 | 67.2° | 54.7° |
| C31 | C30 | C26 | H261 | 58.8° | 61.6° |
| C31 | C30 | C26 | H262 | 61.2° | 58.4° |
| C31 | C30 | C26 | H26 | 178.8° | 178.4° |
| C30 | C31 | H311 | H312 | 120.0° | 120.0° |
| C30 | C31 | H311 | H31 | 120.0° | 120.1° |
| C30 | C31 | H312 | H31 | 120.0° | 120.0° |
| C31 | C30 | C32 | H321 | 60.2° | 59.9° |
| C31 | C30 | C32 | H32 | 179.8° | 60.1° |
| C31 | C30 | C32 | H322 | 59.8° | 180.0° |
| C32 | C30 | C11 | H11 | 52.5° | 174.8° |
| C32 | C30 | C26 | H261 | 57.9° | 178.4° |
| C32 | C30 | C26 | H262 | 177.9° | 61.5° |
| C32 | C30 | C26 | H26 | 62.1° | 58.5° |
| C32 | C30 | C31 | H311 | 59.6° | 180.0° |
| C32 | C30 | C31 | H312 | 60.4° | 60.0° |
| C32 | C30 | C31 | H31 | 179.6° | 59.9° |
| C30 | C32 | H321 | H32 | 120.0° | 120.0° |
| C30 | C32 | H321 | H322 | 120.0° | 120.0° |
| C30 | C32 | H32 | H322 | 120.0° | 119.9° |
| C26 | C30 | C11 | H11 | 172.7° | 65.2° |
| C30 | C26 | H261 | H262 | 120.0° | 120.0° |
| C30 | C26 | H261 | H26 | 120.0° | 120.0° |
| C30 | C26 | H262 | H26 | 120.0° | 120.0° |
| C26 | C30 | C31 | H311 | 55.7° | 60.1° |
| C26 | C30 | C31 | H312 | 175.8° | 180.0° |
| C26 | C30 | C31 | H31 | 64.3° | 60.0° |
| C26 | C30 | C32 | H321 | 55.4° | 60.0° |
| C26 | C30 | C32 | H32 | 64.6° | 180.0° |
| C26 | C30 | C32 | H322 | 175.4° | 60.1° |
| O33 | C12 | N13 | C13 | 167.8° | 174.9° |
| O33 | C12 | N13 | C14 | 9.3° | 5.1° |
| O33 | C12 | C11 | H11 | 160.4° | 152.0° |
| C12 | N13 | C13 | C14 | 177.2° | 180.0° |
| C12 | N13 | C13 | C16 | 158.5° | 140.4° |
| C12 | N13 | C14 | C34 | 160.9° | 140.4° |
| C12 | N13 | C14 | C15 | 79.6° | 100.8° |
| N13 | C12 | C11 | H11 | 15.9° | 28.0° |
| C12 | N13 | C13 | H13 | 39.0° | 100.8° |
| C12 | N13 | C13 | H131 | 82.0° | 21.6° |
| C12 | N13 | C14 | H14 | 41.7° | 21.6° |
| N13 | C13 | C16 | H13 | 119.5° | 118.8° |
| N13 | C13 | C16 | H131 | 119.5° | 118.8° |
| N13 | C13 | C16 | C18 | 51.5° | 39.4° |
| N13 | C13 | C16 | C34 | 12.2° | 23.9° |
| C13 | N13 | C14 | C34 | 16.7° | 39.7° |
| C13 | N13 | C14 | C15 | 102.8° | 79.2° |
| N13 | C13 | H13 | H131 | 121.5° | 122.5° |
| C13 | N13 | C14 | H14 | 135.9° | 158.5° |
| N13 | C13 | C16 | H16 | 150.2° | 165.0° |
| C14 | N13 | C13 | C16 | 18.7° | 39.6° |
| N13 | C14 | C34 | C16 | 8.1° | 23.9° |
| N13 | C14 | C34 | C18 | 57.8° | 39.4° |
| N13 | C14 | C34 | C15 | 115.5° | 118.8° |
| N13 | C14 | C34 | H14 | 120.1° | 118.9° |
| N13 | C14 | C15 | H14 | 121.8° | 122.4° |
| N13 | C14 | C15 | O38 | 49.6° | 16.8° |
| N13 | C14 | C15 | N16 | 128.5° | 163.1° |
| C14 | N13 | C13 | H13 | 138.2° | 79.1° |
| C14 | N13 | C13 | H131 | 100.8° | 158.4° |
| N13 | C14 | C34 | H341 | 148.8° | 163.5° |
| C13 | C16 | C18 | C34 | 92.2° | 91.5° |
| C13 | C16 | C18 | H16 | 158.3° | 155.1° |
| C13 | C16 | C34 | H16 | 138.0° | 138.4° |
| C13 | C16 | C18 | C25 | 156.8° | 160.8° |
| C13 | C16 | C18 | C23 | 24.2° | 16.1° |
| C13 | C16 | C34 | C14 | 2.6° | 0.0° |
| C16 | C13 | H13 | H131 | 121.5° | 122.3° |
| C13 | C16 | C34 | H341 | 138.1° | 137.7° |
| C18 | C16 | C34 | H16 | 108.7° | 107.5° |
| C16 | C18 | C25 | C23 | 133.9° | 145.4° |
| C16 | C18 | C25 | C34 | 65.9° | 69.2° |
| C16 | C18 | C23 | C34 | 69.4° | 69.2° |
| C18 | C16 | C34 | C14 | 110.7° | 114.2° |
| C18 | C16 | C13 | H13 | 68.0° | 158.3° |
| C18 | C16 | C13 | H131 | 171.0° | 79.4° |
| C16 | C18 | C23 | H231 | 180.0° | 111.4° |
| C16 | C18 | C23 | H232 | 60.0° | 128.6° |
| C16 | C18 | C23 | H23 | 60.0° | 8.6° |
| C16 | C18 | C25 | H251 | 180.0° | 8.6° |
| C16 | C18 | C25 | H25 | 60.0° | 128.6° |
| C16 | C18 | C25 | H252 | 60.0° | 111.4° |
| C18 | C16 | C34 | H341 | 108.6° | 108.1° |
| C16 | C34 | C14 | H341 | 140.7° | 139.6° |
| C16 | C34 | C14 | C15 | 107.4° | 94.9° |
| C34 | C16 | C13 | H13 | 131.7° | 94.9° |
| C34 | C16 | C13 | H131 | 107.3° | 142.7° |
| C16 | C34 | C14 | H14 | 128.2° | 142.8° |
| C25 | C18 | C23 | C34 | 158.8° | 145.4° |
| C25 | C18 | C34 | C14 | 162.7° | 160.8° |
| C25 | C18 | C16 | H16 | 1.5° | 5.7° |
| C25 | C18 | C23 | H231 | 48.2° | 34.0° |
| C25 | C18 | C23 | H232 | 168.3° | 86.0° |
| C25 | C18 | C23 | H23 | 71.7° | 154.0° |
| C18 | C25 | H251 | H25 | 120.0° | 120.0° |
| C18 | C25 | H251 | H252 | 120.0° | 120.0° |
| C18 | C25 | H25 | H252 | 120.0° | 120.0° |
| C25 | C18 | C34 | H341 | 9.3° | 4.1° |
| C23 | C18 | C34 | C14 | 4.8° | 16.1° |
| C23 | C18 | C16 | H16 | 134.1° | 139.0° |
| C18 | C23 | H231 | H232 | 120.0° | 120.0° |
| C18 | C23 | H231 | H23 | 120.0° | 120.0° |
| C18 | C23 | H232 | H23 | 120.0° | 120.0° |
| C23 | C18 | C25 | H251 | 46.1° | 154.0° |
| C23 | C18 | C25 | H25 | 73.9° | 86.0° |
| C23 | C18 | C25 | H252 | 166.1° | 34.0° |
| C23 | C18 | C34 | H341 | 148.7° | 140.6° |
| C18 | C34 | C14 | H341 | 153.4° | 157.1° |
| C18 | C34 | C14 | C15 | 173.3° | 158.3° |
| C18 | C34 | C14 | H14 | 62.3° | 79.5° |
| C34 | C18 | C23 | H231 | 110.6° | 179.4° |
| C34 | C18 | C23 | H232 | 9.4° | 59.4° |
| C34 | C18 | C23 | H23 | 129.4° | 60.6° |
| C34 | C18 | C25 | H251 | 114.2° | 60.6° |
| C34 | C18 | C25 | H25 | 125.8° | 59.4° |
| C34 | C18 | C25 | H252 | 5.9° | 179.4° |
| C34 | C14 | C15 | H14 | 124.1° | 122.3° |
| C34 | C14 | C15 | O38 | 64.6° | 98.4° |
| C34 | C14 | C15 | N16 | 117.4° | 81.6° |
| C14 | C34 | C16 | H16 | 140.6° | 138.4° |
| C14 | C15 | O38 | N16 | 178.0° | 180.0° |
| C14 | C15 | N16 | C17 | 173.3° | 180.0° |
| C15 | C14 | C34 | H341 | 33.3° | 44.7° |
| C14 | C15 | N16 | HN16 | 6.7° | 0.0° |
| O38 | C15 | N16 | C17 | 8.7° | 0.0° |
| O38 | C15 | C14 | H14 | 171.3° | 139.3° |
| O38 | C15 | N16 | HN16 | 171.3° | 180.0° |
| C15 | N16 | C17 | HN16 | 180.0° | 180.0° |
| C15 | N16 | C17 | C8 | 123.9° | 85.0° |
| C15 | N16 | C17 | C19 | 112.9° | 155.0° |
| N16 | C15 | C14 | H14 | 6.7° | 40.7° |
| C15 | N16 | C17 | H17 | 5.6° | 35.0° |
| N16 | C17 | C8 | C19 | 127.3° | 120.0° |
| N16 | C17 | C8 | H17 | 118.8° | 120.0° |
| N16 | C17 | C19 | H17 | 118.9° | 120.0° |
| N16 | C17 | C8 | N9 | 127.5° | 0.0° |
| N16 | C17 | C19 | C20 | 29.8° | 65.0° |
| N16 | C17 | C19 | H191 | 91.2° | 55.0° |
| N16 | C17 | C19 | H19 | 150.8° | 175.0° |
| N16 | C17 | C8 | H81 | 52.5° | 180.0° |
| C8 | C17 | C19 | H17 | 113.9° | 120.0° |
| C17 | C8 | N9 | H81 | 180.0° | 180.0° |
| C8 | C17 | C19 | C20 | 156.9° | 175.0° |
| C8 | C17 | C19 | H191 | 36.0° | 65.0° |
| C8 | C17 | C19 | H19 | 82.1° | 55.1° |
| C8 | C17 | N16 | HN16 | 56.1° | 95.0° |
| C17 | C8 | N9 | HO9 | 180.0° | 180.0° |
| C19 | C17 | C8 | N9 | 105.3° | 120.0° |
| C17 | C19 | C20 | H191 | 121.0° | 120.0° |
| C17 | C19 | C20 | H19 | 121.0° | 120.0° |
| C17 | C19 | C20 | C24 | 129.3° | 66.4° |
| C17 | C19 | C20 | C21 | 119.6° | 178.8° |
| C17 | C19 | H191 | H19 | 117.0° | 120.1° |
| C17 | C19 | C20 | H20 | 6.3° | 56.0° |
| C19 | C17 | C8 | H81 | 74.7° | 60.0° |
| C19 | C17 | N16 | HN16 | 67.1° | 25.0° |
| N9 | C8 | C17 | H17 | 8.6° | 120.0° |
| C19 | C20 | C24 | C21 | 116.2° | 118.7° |
| C19 | C20 | C24 | H20 | 122.8° | 122.5° |
| C19 | C20 | C21 | H20 | 126.1° | 122.6° |
| C19 | C20 | C24 | O26 | 57.7° | 77.5° |
| C19 | C20 | C24 | N23 | 120.7° | 102.4° |
| C19 | C20 | C21 | C22 | 112.6° | 93.9° |
| C20 | C19 | C17 | H17 | 89.1° | 55.0° |
| C20 | C19 | H191 | H19 | 117.0° | 119.9° |
| C19 | C20 | C21 | H211 | 7.0° | 24.3° |
| C19 | C20 | C21 | H21 | 127.6° | 148.0° |
| C24 | C20 | C21 | H20 | 121.5° | 118.7° |
| C20 | C24 | O26 | N23 | 178.1° | 179.9° |
| C24 | C20 | C21 | C22 | 0.2° | 24.8° |
| C20 | C24 | N23 | C22 | 7.5° | 0.4° |
| C24 | C20 | C19 | H191 | 8.4° | 53.6° |
| C24 | C20 | C19 | H19 | 109.7° | 173.6° |
| C24 | C20 | C21 | H211 | 119.5° | 142.9° |
| C24 | C20 | C21 | H21 | 119.9° | 93.3° |
| C20 | C24 | N23 | HN23 | 172.5° | 179.6° |
| C21 | C20 | C24 | O26 | 173.9° | 163.8° |
| C21 | C20 | C24 | N23 | 4.5° | 16.3° |
| C20 | C21 | C22 | H211 | 119.7° | 118.1° |
| C20 | C21 | C22 | H21 | 119.7° | 118.1° |
| C20 | C21 | C22 | N23 | 3.7° | 25.4° |
| C21 | C20 | C19 | H191 | 119.4° | 61.2° |
| C21 | C20 | C19 | H19 | 1.3° | 58.8° |
| C20 | C21 | H211 | H21 | 120.9° | 123.8° |
| C20 | C21 | C22 | H221 | 115.4° | 93.6° |
| C20 | C21 | C22 | H22 | 122.8° | 144.4° |
| O26 | C24 | N23 | C22 | 170.7° | 179.6° |
| O26 | C24 | C20 | H20 | 65.1° | 44.9° |
| O26 | C24 | N23 | HN23 | 9.3° | 0.5° |
| C24 | N23 | C22 | C21 | 6.9° | 17.0° |
| C24 | N23 | C22 | HN23 | 180.0° | 180.0° |
| N23 | C24 | C20 | H20 | 116.5° | 135.1° |
| C24 | N23 | C22 | H221 | 112.2° | 102.0° |
| C24 | N23 | C22 | H22 | 126.0° | 136.0° |
| C21 | C22 | N23 | H221 | 119.1° | 119.0° |
| C21 | C22 | N23 | H22 | 119.1° | 119.0° |
| C22 | C21 | C20 | H20 | 121.3° | 143.5° |
| C22 | C21 | H211 | H21 | 120.8° | 123.8° |
| C21 | C22 | H221 | H22 | 122.6° | 122.0° |
| C21 | C22 | N23 | HN23 | 173.1° | 163.0° |
| N23 | C22 | C21 | H211 | 123.4° | 143.5° |
| N23 | C22 | C21 | H21 | 116.0° | 92.7° |
| N23 | C22 | H221 | H22 | 122.7° | 122.0° |
| H11 | C11 | N10 | HN10 | 167.5° | 145.0° |
| H13 | C13 | C16 | H16 | 90.3° | 46.2° |
| H131 | C13 | C16 | H16 | 30.7° | 76.2° |
| H14 | C14 | C34 | H341 | 91.1° | 77.6° |
| H16 | C16 | C34 | H341 | 0.1° | 0.6° |
| H17 | C17 | C19 | H191 | 149.9° | 175.0° |
| H17 | C17 | C19 | H19 | 31.9° | 64.9° |
| H17 | C17 | C8 | H81 | 171.4° | 60.0° |
| H17 | C17 | N16 | HN16 | 174.5° | 145.1° |
| H191 | C19 | C20 | H20 | 114.7° | 176.0° |
| H19 | C19 | C20 | H20 | 127.3° | 64.0° |
| H20 | C20 | C21 | H211 | 119.0° | 98.4° |
| H20 | C20 | C21 | H21 | 1.6° | 25.4° |
| H211 | C21 | C22 | H221 | 4.3° | 24.5° |
| H211 | C21 | C22 | H22 | 117.5° | 97.4° |
| H21 | C21 | C22 | H221 | 124.9° | 148.3° |
| H21 | C21 | C22 | H22 | 3.0° | 26.3° |
| H221 | C22 | N23 | HN23 | 67.8° | 78.0° |
| H22 | C22 | N23 | HN23 | 54.0° | 44.0° |
| H231 | C23 | H232 | H23 | 120.0° | 120.0° |
| H251 | C25 | H25 | H252 | 120.0° | 120.0° |
| H261 | C26 | H262 | H26 | 120.0° | 120.0° |
| H3 | C3 | H34 | H33 | 120.0° | 119.9° |
| H311 | C31 | H312 | H31 | 120.0° | 120.0° |
| H321 | C32 | H32 | H322 | 120.0° | 120.0° |
| H4 | C4 | H41 | H42 | 120.0° | 119.9° |
| H51 | C5 | H5 | H52 | 120.0° | 120.0° |
| H81 | C8 | N9 | HO9 | 0.0° | 0.0° |
