HU1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N8 | sing | 1.35Å | 1.33Å | |
| C1 | O3 | sing | 1.35Å | 1.36Å | |
| C1 | O2 | doub | 1.21Å | 1.24Å | |
| O3 | C4 | sing | 1.45Å | 1.47Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | C6 | sing | 1.53Å | 1.54Å | |
| C4 | C7 | sing | 1.53Å | 1.56Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C5 | H53 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H63 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H73 | sing | 1.09Å | 1.10Å | |
| N8 | C9 | sing | 1.47Å | 1.46Å | |
| N8 | HN8 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C16 | sing | 1.51Å | 1.52Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | C13 | sing | 1.53Å | 1.52Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | C14 | sing | 1.53Å | 1.51Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | C15 | sing | 1.53Å | 1.54Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | O17 | doub | 1.21Å | 1.24Å | |
| C16 | N18 | sing | 1.35Å | 1.34Å | |
| N18 | C19 | sing | 1.48Å | 1.47Å | |
| N18 | C20 | sing | 1.48Å | 1.47Å | |
| C19 | C22 | sing | 1.54Å | 1.51Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | C26 | sing | 1.51Å | 1.53Å | |
| C20 | C21 | sing | 1.54Å | 1.49Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.55Å | 1.49Å | |
| C21 | C23 | sing | 1.53Å | 1.51Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.54Å | 1.53Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | C25 | sing | 1.53Å | 1.50Å | |
| C23 | C24 | sing | 1.53Å | 1.50Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C26 | O27 | doub | 1.21Å | 1.24Å | |
| C26 | N28 | sing | 1.35Å | 1.33Å | |
| N28 | C29 | sing | 1.47Å | 1.46Å | |
| N28 | HN28 | sing | 0.97Å | 1.00Å | |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| C29 | C36 | sing | 1.51Å | 1.55Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.55Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | C33 | sing | 1.54Å | 1.53Å | |
| C31 | C32 | sing | 1.54Å | 1.53Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | C34 | sing | 1.54Å | 1.53Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.54Å | 1.54Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| O35 | C36 | doub | 1.21Å | 1.46Å | |
| C36 | C39 | sing | 1.49Å | 1.55Å | |
| O37 | C39 | doub | 1.21Å | 1.23Å | |
| N38 | C39 | sing | 1.35Å | 1.33Å | |
| N38 | H381 | sing | 0.97Å | 1.00Å | |
| N38 | H382 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N8 | C1 | O3 | 110.8° | 120.0° |
| N8 | C1 | O2 | 122.6° | 120.0° |
| C1 | N8 | C9 | 122.7° | 120.0° |
| C1 | N8 | HN8 | 118.7° | 120.0° |
| O3 | C1 | O2 | 126.6° | 120.0° |
| C1 | O3 | C4 | 127.2° | 117.0° |
| O3 | C4 | C5 | 106.0° | 109.4° |
| O3 | C4 | C6 | 109.2° | 109.5° |
| O3 | C4 | C7 | 116.1° | 109.4° |
| C5 | C4 | C6 | 106.9° | 109.5° |
| C5 | C4 | C7 | 110.8° | 109.5° |
| C4 | C5 | H51 | 109.5° | 109.4° |
| C4 | C5 | H52 | 109.5° | 109.4° |
| C4 | C5 | H53 | 109.4° | 109.5° |
| C6 | C4 | C7 | 107.6° | 109.5° |
| C4 | C6 | H61 | 109.5° | 109.5° |
| C4 | C6 | H62 | 109.4° | 109.5° |
| C4 | C6 | H63 | 109.4° | 109.5° |
| C4 | C7 | H71 | 109.5° | 109.5° |
| C4 | C7 | H72 | 109.5° | 109.5° |
| C4 | C7 | H73 | 109.5° | 109.5° |
| H51 | C5 | H52 | 109.5° | 109.5° |
| H51 | C5 | H53 | 109.5° | 109.5° |
| H52 | C5 | H53 | 109.5° | 109.5° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| H61 | C6 | H63 | 109.5° | 109.5° |
| H62 | C6 | H63 | 109.5° | 109.4° |
| H71 | C7 | H72 | 109.4° | 109.4° |
| H71 | C7 | H73 | 109.5° | 109.5° |
| H72 | C7 | H73 | 109.4° | 109.4° |
| C9 | N8 | HN8 | 118.7° | 120.0° |
| N8 | C9 | C10 | 110.7° | 109.5° |
| N8 | C9 | C16 | 107.1° | 109.4° |
| N8 | C9 | H9 | 110.7° | 109.5° |
| C10 | C9 | C16 | 108.7° | 109.5° |
| C10 | C9 | H9 | 109.7° | 109.5° |
| C9 | C10 | C12 | 110.7° | 109.4° |
| C9 | C10 | C11 | 110.9° | 109.5° |
| C9 | C10 | H10 | 108.4° | 109.5° |
| C16 | C9 | H9 | 109.8° | 109.4° |
| C9 | C16 | O17 | 120.4° | 120.0° |
| C9 | C16 | N18 | 117.4° | 120.0° |
| C12 | C10 | C11 | 110.0° | 109.5° |
| C12 | C10 | H10 | 108.4° | 109.5° |
| C10 | C12 | C14 | 113.3° | 109.4° |
| C10 | C12 | H121 | 108.5° | 109.5° |
| C10 | C12 | H122 | 108.5° | 109.5° |
| C11 | C10 | H10 | 108.3° | 109.5° |
| C10 | C11 | C13 | 113.0° | 109.5° |
| C10 | C11 | H111 | 108.6° | 109.5° |
| C10 | C11 | H112 | 108.6° | 109.5° |
| C13 | C11 | H111 | 108.6° | 109.5° |
| C13 | C11 | H112 | 108.6° | 109.5° |
| C11 | C13 | C15 | 110.9° | 109.4° |
| C11 | C13 | H131 | 109.1° | 109.4° |
| C11 | C13 | H132 | 109.1° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.4° |
| C14 | C12 | H121 | 108.5° | 109.5° |
| C14 | C12 | H122 | 108.5° | 109.5° |
| C12 | C14 | C15 | 110.4° | 109.5° |
| C12 | C14 | H141 | 109.2° | 109.5° |
| C12 | C14 | H142 | 109.2° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.4° |
| C15 | C13 | H131 | 109.1° | 109.5° |
| C15 | C13 | H132 | 109.1° | 109.5° |
| C13 | C15 | C14 | 111.1° | 109.5° |
| C13 | C15 | H151 | 109.1° | 109.5° |
| C13 | C15 | H152 | 109.1° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| C15 | C14 | H141 | 109.3° | 109.5° |
| C15 | C14 | H142 | 109.2° | 109.5° |
| C14 | C15 | H151 | 109.1° | 109.5° |
| C14 | C15 | H152 | 109.1° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.4° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| O17 | C16 | N18 | 122.1° | 120.0° |
| C16 | N18 | C19 | 127.5° | 127.8° |
| C16 | N18 | C20 | 121.2° | 127.9° |
| C19 | N18 | C20 | 111.3° | 104.3° |
| N18 | C19 | C22 | 103.5° | 104.6° |
| N18 | C19 | H191 | 111.0° | 110.4° |
| N18 | C19 | H192 | 111.0° | 110.4° |
| N18 | C20 | C26 | 110.8° | 110.4° |
| N18 | C20 | C21 | 107.3° | 104.6° |
| N18 | C20 | H20 | 108.0° | 110.4° |
| C22 | C19 | H191 | 111.0° | 110.3° |
| C22 | C19 | H192 | 111.0° | 110.4° |
| C19 | C22 | C21 | 110.7° | 104.8° |
| C19 | C22 | C23 | 117.3° | 118.1° |
| C19 | C22 | H22 | 118.4° | 117.6° |
| H191 | C19 | H192 | 109.4° | 110.5° |
| C26 | C20 | C21 | 115.5° | 110.4° |
| C26 | C20 | H20 | 107.3° | 110.3° |
| C20 | C26 | O27 | 120.9° | 120.0° |
| C20 | C26 | N28 | 116.0° | 120.0° |
| C21 | C20 | H20 | 107.7° | 110.5° |
| C20 | C21 | C22 | 104.9° | 104.9° |
| C20 | C21 | C23 | 126.1° | 118.1° |
| C20 | C21 | H21 | 116.4° | 117.6° |
| C22 | C21 | C23 | 61.4° | 59.9° |
| C22 | C21 | H21 | 116.3° | 121.8° |
| C21 | C22 | C23 | 60.2° | 59.5° |
| C21 | C22 | H22 | 118.8° | 121.8° |
| C23 | C21 | H21 | 115.9° | 120.3° |
| C21 | C23 | C22 | 58.5° | 60.6° |
| C21 | C23 | C25 | 118.3° | 117.5° |
| C21 | C23 | C24 | 116.3° | 117.4° |
| C23 | C22 | H22 | 118.0° | 120.5° |
| C22 | C23 | C25 | 118.9° | 117.4° |
| C22 | C23 | C24 | 118.0° | 117.4° |
| C25 | C23 | C24 | 115.2° | 115.5° |
| C23 | C25 | H251 | 109.5° | 109.5° |
| C23 | C25 | H252 | 109.5° | 109.5° |
| C23 | C25 | H253 | 109.4° | 109.5° |
| C23 | C24 | H241 | 109.5° | 109.5° |
| C23 | C24 | H242 | 109.5° | 109.5° |
| C23 | C24 | H243 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.4° | 109.5° |
| H241 | C24 | H243 | 109.5° | 109.5° |
| H242 | C24 | H243 | 109.5° | 109.4° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H251 | C25 | H253 | 109.5° | 109.5° |
| H252 | C25 | H253 | 109.5° | 109.4° |
| O27 | C26 | N28 | 123.1° | 120.0° |
| C26 | N28 | C29 | 121.4° | 120.0° |
| C26 | N28 | HN28 | 119.3° | 120.0° |
| C29 | N28 | HN28 | 119.3° | 120.0° |
| N28 | C29 | C30 | 109.4° | 109.5° |
| N28 | C29 | C36 | 112.1° | 109.4° |
| N28 | C29 | H29 | 108.4° | 109.5° |
| C30 | C29 | C36 | 112.1° | 109.5° |
| C30 | C29 | H29 | 107.4° | 109.5° |
| C29 | C30 | C31 | 113.4° | 109.5° |
| C29 | C30 | H301 | 108.4° | 109.5° |
| C29 | C30 | H302 | 108.5° | 109.5° |
| C36 | C29 | H29 | 107.2° | 109.5° |
| C29 | C36 | O35 | 109.2° | 120.0° |
| C29 | C36 | C39 | 107.4° | 120.0° |
| C31 | C30 | H301 | 108.5° | 109.5° |
| C31 | C30 | H302 | 108.5° | 109.5° |
| C30 | C31 | C33 | 116.1° | 113.6° |
| C30 | C31 | C32 | 117.7° | 113.6° |
| C30 | C31 | H31 | 110.7° | 112.9° |
| H301 | C30 | H302 | 109.5° | 109.4° |
| C33 | C31 | C32 | 88.7° | 87.1° |
| C33 | C31 | H31 | 111.0° | 113.6° |
| C31 | C33 | C34 | 88.5° | 87.1° |
| C31 | C33 | H331 | 114.5° | 113.6° |
| C31 | C33 | H332 | 114.4° | 113.6° |
| C32 | C31 | H31 | 111.0° | 113.7° |
| C31 | C32 | C34 | 88.7° | 87.0° |
| C31 | C32 | H321 | 114.4° | 113.7° |
| C31 | C32 | H322 | 114.4° | 113.6° |
| C34 | C32 | H321 | 114.4° | 113.6° |
| C34 | C32 | H322 | 114.4° | 113.6° |
| C32 | C34 | C33 | 88.2° | 87.1° |
| C32 | C34 | H341 | 114.5° | 113.6° |
| C32 | C34 | H342 | 114.5° | 113.6° |
| H321 | C32 | H322 | 109.5° | 112.9° |
| C34 | C33 | H331 | 114.4° | 113.6° |
| C34 | C33 | H332 | 114.4° | 113.6° |
| C33 | C34 | H341 | 114.5° | 113.6° |
| C33 | C34 | H342 | 114.5° | 113.6° |
| H331 | C33 | H332 | 109.4° | 112.9° |
| H341 | C34 | H342 | 109.5° | 113.0° |
| O35 | C36 | C39 | 106.4° | 120.0° |
| C36 | C39 | O37 | 118.6° | 120.0° |
| C36 | C39 | N38 | 119.1° | 120.0° |
| O37 | C39 | N38 | 122.3° | 120.0° |
| C39 | N38 | H381 | 120.0° | 120.0° |
| C39 | N38 | H382 | 120.0° | 120.0° |
| H381 | N38 | H382 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N8 | C1 | O3 | O2 | 178.3° | 179.7° |
| N8 | C1 | O3 | C4 | 172.8° | 180.0° |
| C1 | N8 | C9 | HN8 | 180.0° | 179.9° |
| C1 | N8 | C9 | C10 | 151.4° | 85.1° |
| C1 | N8 | C9 | C16 | 90.2° | 155.0° |
| C1 | N8 | C9 | H9 | 29.5° | 35.0° |
| C1 | O3 | C4 | C5 | 110.4° | 60.0° |
| C1 | O3 | C4 | C6 | 134.8° | 180.0° |
| C1 | O3 | C4 | C7 | 13.0° | 60.0° |
| O3 | C1 | N8 | C9 | 179.0° | 180.0° |
| O3 | C1 | N8 | HN8 | 1.0° | 0.1° |
| O2 | C1 | O3 | C4 | 8.8° | 0.3° |
| O2 | C1 | N8 | C9 | 2.6° | 0.3° |
| O2 | C1 | N8 | HN8 | 177.4° | 179.7° |
| O3 | C4 | C5 | C6 | 116.3° | 120.1° |
| O3 | C4 | C5 | C7 | 126.7° | 119.9° |
| O3 | C4 | C6 | C7 | 126.8° | 120.0° |
| O3 | C4 | C5 | H51 | 180.0° | 60.1° |
| O3 | C4 | C5 | H52 | 60.0° | 179.9° |
| O3 | C4 | C5 | H53 | 60.0° | 60.0° |
| O3 | C4 | C6 | H61 | 180.0° | 60.0° |
| O3 | C4 | C6 | H62 | 60.0° | 180.0° |
| O3 | C4 | C6 | H63 | 60.0° | 60.0° |
| O3 | C4 | C7 | H71 | 180.0° | 60.0° |
| O3 | C4 | C7 | H72 | 60.0° | 180.0° |
| O3 | C4 | C7 | H73 | 60.0° | 60.1° |
| C5 | C4 | C6 | C7 | 119.1° | 120.0° |
| C4 | C5 | H51 | H52 | 120.0° | 120.0° |
| C4 | C5 | H51 | H53 | 120.0° | 120.0° |
| C4 | C5 | H52 | H53 | 120.0° | 120.0° |
| C5 | C4 | C6 | H61 | 65.8° | 180.0° |
| C5 | C4 | C6 | H62 | 174.2° | 60.0° |
| C5 | C4 | C6 | H63 | 54.2° | 60.0° |
| C5 | C4 | C7 | H71 | 59.1° | 59.9° |
| C5 | C4 | C7 | H72 | 60.9° | 60.0° |
| C5 | C4 | C7 | H73 | 179.1° | 180.0° |
| C6 | C4 | C5 | H51 | 63.7° | 60.0° |
| C6 | C4 | C5 | H52 | 56.3° | 60.0° |
| C6 | C4 | C5 | H53 | 176.3° | 180.0° |
| C4 | C6 | H61 | H62 | 120.0° | 120.0° |
| C4 | C6 | H61 | H63 | 120.0° | 120.0° |
| C4 | C6 | H62 | H63 | 119.9° | 120.0° |
| C6 | C4 | C7 | H71 | 57.4° | 180.0° |
| C6 | C4 | C7 | H72 | 177.4° | 60.0° |
| C6 | C4 | C7 | H73 | 62.6° | 60.0° |
| C7 | C4 | C5 | H51 | 53.3° | 180.0° |
| C7 | C4 | C5 | H52 | 173.3° | 60.0° |
| C7 | C4 | C5 | H53 | 66.7° | 60.0° |
| C7 | C4 | C6 | H61 | 53.2° | 60.0° |
| C7 | C4 | C6 | H62 | 66.8° | 60.0° |
| C7 | C4 | C6 | H63 | 173.3° | 180.0° |
| C4 | C7 | H71 | H72 | 120.0° | 120.0° |
| C4 | C7 | H71 | H73 | 120.0° | 120.1° |
| C4 | C7 | H72 | H73 | 120.0° | 120.0° |
| H51 | C5 | H52 | H53 | 120.0° | 120.1° |
| H61 | C6 | H62 | H63 | 120.1° | 120.0° |
| H71 | C7 | H72 | H73 | 120.0° | 119.9° |
| N8 | C9 | C10 | C16 | 117.5° | 120.0° |
| N8 | C9 | C10 | H9 | 122.5° | 120.1° |
| N8 | C9 | C16 | H9 | 120.3° | 120.0° |
| N8 | C9 | C10 | C12 | 58.5° | 59.9° |
| N8 | C9 | C10 | C11 | 179.1° | 179.9° |
| N8 | C9 | C10 | H10 | 60.3° | 60.1° |
| N8 | C9 | C16 | O17 | 63.1° | 33.3° |
| N8 | C9 | C16 | N18 | 113.7° | 146.7° |
| HN8 | N8 | C9 | C10 | 28.6° | 95.0° |
| HN8 | N8 | C9 | C16 | 89.8° | 24.9° |
| HN8 | N8 | C9 | H9 | 150.5° | 144.9° |
| C10 | C9 | C16 | H9 | 120.0° | 120.0° |
| C9 | C10 | C12 | C11 | 123.0° | 120.0° |
| C9 | C10 | C12 | H10 | 118.7° | 120.0° |
| C9 | C10 | C11 | H10 | 118.9° | 120.0° |
| C9 | C10 | C11 | C13 | 175.3° | 180.0° |
| C9 | C10 | C11 | H111 | 64.2° | 60.0° |
| C9 | C10 | C11 | H112 | 54.8° | 59.9° |
| C9 | C10 | C12 | C14 | 176.4° | 180.0° |
| C9 | C10 | C12 | H121 | 55.9° | 60.0° |
| C9 | C10 | C12 | H122 | 63.0° | 60.0° |
| C10 | C9 | C16 | O17 | 56.6° | 86.7° |
| C10 | C9 | C16 | N18 | 126.5° | 93.4° |
| C16 | C9 | C10 | C12 | 175.9° | 179.9° |
| C16 | C9 | C10 | C11 | 61.6° | 60.1° |
| C16 | C9 | C10 | H10 | 57.2° | 59.9° |
| C9 | C16 | O17 | N18 | 176.7° | 180.0° |
| C9 | C16 | N18 | C19 | 0.5° | 4.7° |
| C9 | C16 | N18 | C20 | 179.9° | 175.6° |
| H9 | C9 | C10 | C12 | 64.1° | 60.1° |
| H9 | C9 | C10 | C11 | 58.4° | 59.9° |
| H9 | C9 | C10 | H10 | 177.2° | 179.9° |
| H9 | C9 | C16 | O17 | 176.6° | 153.3° |
| H9 | C9 | C16 | N18 | 6.5° | 26.7° |
| C12 | C10 | C11 | H10 | 118.3° | 120.0° |
| C12 | C10 | C11 | C13 | 52.5° | 60.0° |
| C12 | C10 | C11 | H111 | 173.0° | 180.0° |
| C12 | C10 | C11 | H112 | 68.0° | 60.1° |
| C10 | C12 | C14 | H121 | 120.6° | 120.0° |
| C10 | C12 | C14 | H122 | 120.6° | 120.1° |
| C10 | C12 | H121 | H122 | 118.2° | 120.0° |
| C10 | C12 | C14 | C15 | 56.1° | 60.0° |
| C10 | C12 | C14 | H141 | 176.2° | 180.0° |
| C10 | C12 | C14 | H142 | 64.1° | 60.0° |
| C10 | C11 | C13 | H111 | 120.5° | 120.0° |
| C10 | C11 | C13 | H112 | 120.5° | 120.1° |
| C10 | C11 | H111 | H112 | 118.4° | 120.0° |
| C11 | C10 | C12 | C14 | 53.5° | 60.0° |
| C11 | C10 | C12 | H121 | 67.1° | 60.0° |
| C11 | C10 | C12 | H122 | 174.0° | 180.0° |
| C10 | C11 | C13 | C15 | 54.5° | 60.0° |
| C10 | C11 | C13 | H131 | 65.7° | 60.0° |
| C10 | C11 | C13 | H132 | 174.7° | 180.0° |
| H10 | C10 | C11 | C13 | 65.8° | 60.0° |
| H10 | C10 | C11 | H111 | 54.7° | 60.0° |
| H10 | C10 | C11 | H112 | 173.7° | 179.9° |
| H10 | C10 | C12 | C14 | 64.8° | 60.0° |
| H10 | C10 | C12 | H121 | 174.6° | 180.0° |
| H10 | C10 | C12 | H122 | 55.8° | 60.0° |
| C13 | C11 | H111 | H112 | 118.4° | 120.0° |
| C11 | C13 | C15 | H131 | 120.2° | 119.9° |
| C11 | C13 | C15 | H132 | 120.2° | 120.0° |
| C11 | C13 | H131 | H132 | 119.3° | 120.0° |
| C11 | C13 | C15 | C14 | 55.9° | 60.0° |
| C11 | C13 | C15 | H151 | 176.1° | 180.0° |
| C11 | C13 | C15 | H152 | 64.3° | 60.0° |
| H111 | C11 | C13 | C15 | 175.0° | 180.0° |
| H111 | C11 | C13 | H131 | 54.8° | 60.0° |
| H111 | C11 | C13 | H132 | 64.8° | 60.0° |
| H112 | C11 | C13 | C15 | 66.0° | 60.1° |
| H112 | C11 | C13 | H131 | 173.8° | 179.9° |
| H112 | C11 | C13 | H132 | 54.2° | 59.9° |
| C14 | C12 | H121 | H122 | 118.3° | 120.0° |
| C12 | C14 | C15 | C13 | 56.4° | 60.0° |
| C12 | C14 | C15 | H141 | 120.2° | 120.0° |
| C12 | C14 | C15 | H142 | 120.1° | 120.0° |
| C12 | C14 | H141 | H142 | 119.6° | 120.0° |
| C12 | C14 | C15 | H151 | 176.6° | 180.0° |
| C12 | C14 | C15 | H152 | 63.9° | 60.0° |
| H121 | C12 | C14 | C15 | 64.5° | 60.0° |
| H121 | C12 | C14 | H141 | 55.7° | 60.0° |
| H121 | C12 | C14 | H142 | 175.4° | 180.0° |
| H122 | C12 | C14 | C15 | 176.6° | 179.9° |
| H122 | C12 | C14 | H141 | 63.2° | 59.9° |
| H122 | C12 | C14 | H142 | 56.5° | 60.0° |
| C15 | C13 | H131 | H132 | 119.4° | 120.0° |
| C13 | C15 | C14 | H151 | 120.2° | 120.0° |
| C13 | C15 | C14 | H152 | 120.2° | 120.0° |
| C13 | C15 | C14 | H141 | 176.5° | 180.0° |
| C13 | C15 | C14 | H142 | 63.8° | 60.0° |
| C13 | C15 | H151 | H152 | 119.3° | 120.0° |
| H131 | C13 | C15 | C14 | 64.3° | 60.0° |
| H131 | C13 | C15 | H151 | 56.0° | 60.1° |
| H131 | C13 | C15 | H152 | 175.5° | 180.0° |
| H132 | C13 | C15 | C14 | 176.1° | 180.0° |
| H132 | C13 | C15 | H151 | 63.7° | 60.0° |
| H132 | C13 | C15 | H152 | 55.9° | 60.0° |
| C15 | C14 | H141 | H142 | 119.6° | 120.0° |
| C14 | C15 | H151 | H152 | 119.3° | 120.0° |
| H141 | C14 | C15 | H151 | 63.3° | 59.9° |
| H141 | C14 | C15 | H152 | 56.3° | 60.1° |
| H142 | C14 | C15 | H151 | 56.5° | 60.0° |
| H142 | C14 | C15 | H152 | 176.0° | 180.0° |
| O17 | C16 | N18 | C19 | 177.3° | 175.3° |
| O17 | C16 | N18 | C20 | 3.1° | 4.4° |
| C16 | N18 | C19 | C20 | 179.7° | 179.7° |
| C16 | N18 | C19 | C22 | 175.9° | 140.4° |
| C16 | N18 | C19 | H191 | 56.8° | 21.7° |
| C16 | N18 | C19 | H192 | 65.1° | 100.8° |
| C16 | N18 | C20 | C26 | 65.4° | 100.8° |
| C16 | N18 | C20 | C21 | 167.7° | 140.4° |
| C16 | N18 | C20 | H20 | 51.8° | 21.5° |
| N18 | C19 | C22 | H191 | 119.1° | 118.8° |
| N18 | C19 | C22 | H192 | 119.0° | 118.8° |
| N18 | C19 | H191 | H192 | 122.8° | 122.5° |
| C19 | N18 | C20 | C26 | 114.3° | 78.9° |
| C19 | N18 | C20 | C21 | 12.6° | 39.8° |
| C19 | N18 | C20 | H20 | 128.5° | 158.8° |
| N18 | C19 | C22 | C21 | 5.4° | 24.0° |
| N18 | C19 | C22 | C23 | 71.7° | 39.0° |
| N18 | C19 | C22 | H22 | 136.8° | 163.0° |
| C20 | N18 | C19 | C22 | 4.4° | 39.9° |
| C20 | N18 | C19 | H191 | 123.5° | 158.6° |
| C20 | N18 | C19 | H192 | 114.6° | 78.9° |
| N18 | C20 | C26 | C21 | 122.3° | 115.2° |
| N18 | C20 | C26 | H20 | 117.7° | 122.3° |
| N18 | C20 | C21 | H20 | 116.1° | 118.9° |
| N18 | C20 | C21 | C22 | 15.1° | 24.0° |
| N18 | C20 | C21 | C23 | 50.1° | 39.5° |
| N18 | C20 | C21 | H21 | 145.3° | 162.9° |
| N18 | C20 | C26 | O27 | 56.6° | 18.5° |
| N18 | C20 | C26 | N28 | 124.0° | 161.4° |
| C22 | C19 | H191 | H192 | 122.8° | 122.3° |
| C19 | C22 | C21 | C20 | 12.9° | 0.0° |
| C19 | C22 | C21 | C23 | 110.4° | 114.2° |
| C19 | C22 | C21 | H22 | 142.0° | 136.7° |
| C19 | C22 | C21 | H21 | 143.0° | 136.8° |
| C19 | C22 | C23 | H22 | 151.7° | 157.4° |
| C19 | C22 | C23 | C25 | 8.0° | 16.5° |
| C19 | C22 | C23 | C24 | 155.4° | 161.1° |
| H191 | C19 | C22 | C21 | 113.6° | 142.8° |
| H191 | C19 | C22 | C23 | 47.4° | 79.8° |
| H191 | C19 | C22 | H22 | 104.2° | 78.3° |
| H192 | C19 | C22 | C21 | 124.5° | 94.8° |
| H192 | C19 | C22 | C23 | 169.3° | 157.8° |
| H192 | C19 | C22 | H22 | 17.7° | 44.1° |
| C26 | C20 | C21 | H20 | 119.8° | 122.3° |
| C26 | C20 | C21 | C22 | 109.0° | 94.8° |
| C26 | C20 | C21 | C23 | 174.2° | 158.3° |
| C26 | C20 | C21 | H21 | 21.2° | 44.1° |
| C20 | C26 | O27 | N28 | 179.3° | 180.0° |
| C20 | C26 | N28 | C29 | 178.8° | 180.0° |
| C20 | C26 | N28 | HN28 | 1.2° | 0.1° |
| C20 | C21 | C22 | C23 | 123.3° | 114.2° |
| C20 | C21 | C22 | H21 | 130.2° | 136.8° |
| C20 | C21 | C23 | H21 | 164.7° | 157.0° |
| C20 | C21 | C22 | H22 | 129.2° | 136.8° |
| C20 | C21 | C23 | C25 | 20.2° | 16.1° |
| C20 | C21 | C23 | C24 | 163.9° | 160.8° |
| C21 | C20 | C26 | O27 | 65.6° | 96.7° |
| C21 | C20 | C26 | N28 | 113.7° | 83.3° |
| H20 | C20 | C21 | C22 | 131.2° | 142.9° |
| H20 | C20 | C21 | C23 | 66.0° | 79.4° |
| H20 | C20 | C21 | H21 | 98.7° | 78.2° |
| H20 | C20 | C26 | O27 | 174.3° | 140.9° |
| H20 | C20 | C26 | N28 | 6.3° | 39.1° |
| C22 | C21 | C23 | H21 | 107.3° | 111.5° |
| C21 | C22 | C23 | H22 | 109.0° | 111.3° |
| C22 | C21 | C23 | C25 | 108.2° | 107.6° |
| C22 | C21 | C23 | C24 | 108.1° | 107.7° |
| C21 | C23 | C25 | C24 | 144.1° | 145.4° |
| C21 | C23 | C24 | H241 | 180.0° | 60.0° |
| C21 | C23 | C24 | H242 | 60.0° | 180.0° |
| C21 | C23 | C24 | H243 | 60.0° | 60.0° |
| C21 | C23 | C25 | H251 | 180.0° | 60.0° |
| C21 | C23 | C25 | H252 | 60.0° | 180.0° |
| C21 | C23 | C25 | H253 | 60.0° | 60.1° |
| H21 | C21 | C22 | H22 | 1.0° | 0.0° |
| H21 | C21 | C23 | C25 | 144.5° | 140.9° |
| H21 | C21 | C23 | C24 | 0.8° | 3.8° |
| C22 | C23 | C25 | C24 | 148.3° | 145.3° |
| C22 | C23 | C24 | H241 | 113.4° | 129.4° |
| C22 | C23 | C24 | H242 | 6.6° | 110.6° |
| C22 | C23 | C24 | H243 | 126.6° | 9.4° |
| C22 | C23 | C25 | H251 | 112.4° | 9.4° |
| C22 | C23 | C25 | H252 | 127.6° | 110.7° |
| C22 | C23 | C25 | H253 | 7.6° | 129.4° |
| H22 | C22 | C23 | C25 | 143.7° | 140.9° |
| H22 | C22 | C23 | C24 | 3.7° | 3.7° |
| C25 | C23 | C24 | H241 | 35.2° | 85.4° |
| C25 | C23 | C24 | H242 | 155.1° | 34.6° |
| C25 | C23 | C24 | H243 | 84.8° | 154.6° |
| C23 | C25 | H251 | H252 | 120.0° | 120.0° |
| C23 | C25 | H251 | H253 | 120.0° | 120.0° |
| C23 | C25 | H252 | H253 | 119.9° | 120.0° |
| C23 | C24 | H241 | H242 | 120.0° | 120.0° |
| C23 | C24 | H241 | H243 | 120.0° | 120.0° |
| C23 | C24 | H242 | H243 | 120.0° | 120.0° |
| C24 | C23 | C25 | H251 | 35.9° | 154.6° |
| C24 | C23 | C25 | H252 | 84.1° | 34.6° |
| C24 | C23 | C25 | H253 | 155.9° | 85.4° |
| H241 | C24 | H242 | H243 | 120.0° | 120.0° |
| H251 | C25 | H252 | H253 | 120.0° | 120.0° |
| O27 | C26 | N28 | C29 | 1.8° | 0.0° |
| O27 | C26 | N28 | HN28 | 178.2° | 180.0° |
| C26 | N28 | C29 | HN28 | 180.0° | 179.9° |
| C26 | N28 | C29 | C30 | 121.3° | 155.0° |
| C26 | N28 | C29 | C36 | 113.7° | 85.0° |
| C26 | N28 | C29 | H29 | 4.4° | 35.0° |
| N28 | C29 | C30 | C36 | 125.0° | 120.0° |
| N28 | C29 | C30 | H29 | 117.5° | 120.0° |
| N28 | C29 | C36 | H29 | 118.9° | 120.0° |
| N28 | C29 | C30 | C31 | 61.3° | 65.0° |
| N28 | C29 | C30 | H301 | 59.3° | 55.0° |
| N28 | C29 | C30 | H302 | 178.1° | 175.0° |
| N28 | C29 | C36 | O35 | 48.4° | 15.0° |
| N28 | C29 | C36 | C39 | 163.3° | 165.0° |
| HN28 | N28 | C29 | C30 | 58.7° | 25.1° |
| HN28 | N28 | C29 | C36 | 66.2° | 95.0° |
| HN28 | N28 | C29 | H29 | 175.6° | 145.1° |
| C30 | C29 | C36 | H29 | 117.7° | 120.0° |
| C29 | C30 | C31 | H301 | 120.6° | 120.0° |
| C29 | C30 | C31 | H302 | 120.6° | 120.0° |
| C29 | C30 | H301 | H302 | 118.2° | 120.0° |
| C29 | C30 | C31 | C33 | 86.8° | 175.0° |
| C29 | C30 | C31 | C32 | 170.0° | 87.5° |
| C29 | C30 | C31 | H31 | 40.9° | 43.8° |
| C30 | C29 | C36 | O35 | 171.8° | 105.0° |
| C30 | C29 | C36 | C39 | 73.2° | 75.0° |
| C36 | C29 | C30 | C31 | 173.8° | 175.0° |
| C36 | C29 | C30 | H301 | 65.7° | 65.0° |
| C36 | C29 | C30 | H302 | 53.1° | 55.0° |
| C29 | C36 | O35 | C39 | 115.6° | 179.9° |
| C29 | C36 | C39 | O37 | 73.6° | 0.1° |
| C29 | C36 | C39 | N38 | 106.4° | 180.0° |
| H29 | C29 | C30 | C31 | 56.2° | 55.0° |
| H29 | C29 | C30 | H301 | 176.8° | 175.0° |
| H29 | C29 | C30 | H302 | 64.4° | 65.0° |
| H29 | C29 | C36 | O35 | 70.5° | 135.0° |
| H29 | C29 | C36 | C39 | 44.4° | 45.1° |
| C31 | C30 | H301 | H302 | 118.2° | 120.0° |
| C30 | C31 | C33 | C32 | 120.5° | 114.5° |
| C30 | C31 | C33 | H31 | 127.5° | 130.8° |
| C30 | C31 | C32 | H31 | 128.9° | 130.8° |
| C30 | C31 | C32 | C34 | 137.3° | 140.0° |
| C30 | C31 | C32 | H321 | 106.4° | 105.5° |
| C30 | C31 | C32 | H322 | 21.0° | 25.5° |
| C30 | C31 | C33 | C34 | 138.6° | 140.0° |
| C30 | C31 | C33 | H331 | 22.3° | 25.4° |
| C30 | C31 | C33 | H332 | 105.1° | 105.5° |
| H301 | C30 | C31 | C33 | 152.7° | 65.0° |
| H301 | C30 | C31 | C32 | 49.4° | 32.5° |
| H301 | C30 | C31 | H31 | 79.6° | 163.8° |
| H302 | C30 | C31 | C33 | 33.8° | 55.0° |
| H302 | C30 | C31 | C32 | 69.4° | 152.5° |
| H302 | C30 | C31 | H31 | 161.6° | 76.2° |
| C33 | C31 | C32 | H31 | 112.0° | 114.6° |
| C33 | C31 | C32 | C34 | 18.2° | 25.4° |
| C33 | C31 | C32 | H321 | 134.5° | 139.9° |
| C33 | C31 | C32 | H322 | 98.1° | 89.1° |
| C31 | C33 | C34 | H331 | 116.3° | 114.6° |
| C31 | C33 | C34 | H332 | 116.3° | 114.6° |
| C31 | C33 | H331 | H332 | 129.9° | 131.3° |
| C31 | C33 | C34 | H341 | 98.1° | 89.1° |
| C31 | C33 | C34 | H342 | 134.4° | 139.9° |
| C31 | C32 | C34 | H321 | 116.3° | 114.6° |
| C31 | C32 | C34 | H322 | 116.3° | 114.5° |
| C31 | C32 | H321 | H322 | 129.9° | 131.3° |
| C32 | C31 | C33 | H331 | 98.1° | 89.1° |
| C32 | C31 | C33 | H332 | 134.4° | 140.0° |
| C31 | C32 | C34 | H341 | 98.1° | 89.2° |
| C31 | C32 | C34 | H342 | 134.3° | 140.0° |
| H31 | C31 | C32 | C34 | 93.8° | 89.2° |
| H31 | C31 | C32 | H321 | 22.5° | 25.4° |
| H31 | C31 | C32 | H322 | 149.9° | 156.3° |
| H31 | C31 | C33 | C34 | 93.9° | 89.2° |
| H31 | C31 | C33 | H331 | 149.9° | 156.3° |
| H31 | C31 | C33 | H332 | 22.4° | 25.4° |
| C34 | C32 | H321 | H322 | 129.8° | 131.3° |
| C32 | C34 | C33 | H341 | 116.2° | 114.5° |
| C32 | C34 | C33 | H342 | 116.2° | 114.5° |
| C32 | C34 | C33 | H331 | 98.2° | 89.1° |
| C32 | C34 | C33 | H332 | 134.4° | 140.0° |
| C32 | C34 | H341 | H342 | 130.1° | 131.2° |
| H321 | C32 | C34 | C33 | 134.4° | 140.0° |
| H321 | C32 | C34 | H341 | 18.2° | 25.4° |
| H321 | C32 | C34 | H342 | 109.4° | 105.5° |
| H322 | C32 | C34 | C33 | 98.2° | 89.1° |
| H322 | C32 | C34 | H341 | 145.6° | 156.3° |
| H322 | C32 | C34 | H342 | 18.0° | 25.5° |
| C34 | C33 | H331 | H332 | 129.9° | 131.2° |
| C33 | C34 | H341 | H342 | 130.1° | 131.3° |
| H331 | C33 | C34 | H341 | 145.6° | 156.4° |
| H331 | C33 | C34 | H342 | 18.1° | 25.4° |
| H332 | C33 | C34 | H341 | 18.2° | 25.5° |
| H332 | C33 | C34 | H342 | 109.4° | 105.5° |
| O35 | C36 | C39 | O37 | 169.6° | 180.0° |
| O35 | C36 | C39 | N38 | 10.4° | 0.1° |
| C36 | C39 | O37 | N38 | 180.0° | 180.0° |
| C36 | C39 | N38 | H381 | 180.0° | 0.0° |
| C36 | C39 | N38 | H382 | 0.0° | 179.9° |
| O37 | C39 | N38 | H381 | 0.0° | 180.0° |
| O37 | C39 | N38 | H382 | 180.0° | 0.0° |
| C39 | N38 | H381 | H382 | 180.0° | 180.0° |
