HU5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N8 | sing | 1.35Å | 1.33Å | |
| C1 | N3 | sing | 1.35Å | 1.33Å | |
| C1 | O2 | doub | 1.22Å | 1.24Å | |
| N3 | C4 | sing | 1.46Å | 1.48Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C4 | C6 | sing | 1.53Å | 1.51Å | |
| C4 | C5 | sing | 1.53Å | 1.56Å | |
| C4 | C7 | sing | 1.53Å | 1.54Å | |
| 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 | 1.45Å | |
| N8 | HN8 | sing | 0.97Å | 1.00Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | C14 | sing | 1.51Å | 1.52Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | C12 | sing | 1.53Å | 1.52Å | |
| C10 | C13 | sing | 1.53Å | 1.55Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C14 | O15 | doub | 1.21Å | 1.23Å | |
| C14 | N16 | sing | 1.35Å | 1.34Å | |
| N16 | C17 | sing | 1.48Å | 1.47Å | |
| N16 | C18 | sing | 1.48Å | 1.46Å | |
| C17 | C20 | sing | 1.54Å | 1.48Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | C24 | sing | 1.51Å | 1.52Å | |
| C18 | C19 | sing | 1.54Å | 1.47Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.55Å | 1.50Å | |
| C19 | C21 | sing | 1.53Å | 1.49Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.54Å | 1.52Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | C23 | sing | 1.53Å | 1.51Å | |
| C21 | C22 | sing | 1.53Å | 1.46Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C24 | O25 | doub | 1.21Å | 1.23Å | |
| C24 | N26 | sing | 1.35Å | 1.33Å | |
| N26 | C27 | sing | 1.46Å | 1.46Å | |
| N26 | HN26 | sing | 0.97Å | 1.00Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | C34 | sing | 1.51Å | 1.56Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | C31 | sing | 1.54Å | 1.54Å | |
| C29 | C30 | sing | 1.54Å | 1.55Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | C32 | sing | 1.54Å | 1.55Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.54Å | 1.53Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| O33 | C34 | doub | 1.21Å | 1.47Å | |
| C34 | C37 | sing | 1.49Å | 1.53Å | |
| O35 | C37 | doub | 1.21Å | 1.23Å | |
| N36 | C37 | sing | 1.35Å | 1.33Å | |
| N36 | H361 | sing | 0.97Å | 1.00Å | |
| N36 | H362 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N8 | C1 | N3 | 114.5° | 120.0° |
| N8 | C1 | O2 | 122.4° | 120.0° |
| C1 | N8 | C9 | 121.3° | 120.0° |
| C1 | N8 | HN8 | 119.4° | 120.0° |
| N3 | C1 | O2 | 123.0° | 120.0° |
| C1 | N3 | C4 | 125.5° | 120.0° |
| C1 | N3 | HN3 | 117.2° | 120.0° |
| C4 | N3 | HN3 | 117.2° | 119.9° |
| N3 | C4 | C6 | 107.1° | 109.5° |
| N3 | C4 | C5 | 109.4° | 109.5° |
| N3 | C4 | C7 | 115.1° | 109.5° |
| C6 | C4 | C5 | 110.2° | 109.4° |
| C6 | C4 | C7 | 107.6° | 109.5° |
| C4 | C6 | H61 | 109.5° | 109.4° |
| C4 | C6 | H62 | 109.5° | 109.5° |
| C4 | C6 | H63 | 109.4° | 109.5° |
| C5 | C4 | C7 | 107.4° | 109.5° |
| C4 | C5 | H51 | 109.5° | 109.5° |
| C4 | C5 | H52 | 109.5° | 109.5° |
| C4 | C5 | H53 | 109.5° | 109.5° |
| C4 | C7 | H71 | 109.5° | 109.5° |
| C4 | C7 | H72 | 109.5° | 109.4° |
| C4 | C7 | H73 | 109.5° | 109.4° |
| H51 | C5 | H52 | 109.5° | 109.5° |
| H51 | C5 | H53 | 109.5° | 109.4° |
| 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 | 109.5° | 109.6° |
| H71 | C7 | H73 | 109.5° | 109.4° |
| H72 | C7 | H73 | 109.5° | 109.5° |
| C9 | N8 | HN8 | 119.3° | 120.0° |
| N8 | C9 | C10 | 112.5° | 109.5° |
| N8 | C9 | C14 | 108.5° | 109.5° |
| N8 | C9 | H9 | 110.4° | 109.4° |
| C10 | C9 | C14 | 106.6° | 109.5° |
| C10 | C9 | H9 | 109.2° | 109.5° |
| C9 | C10 | C12 | 106.0° | 109.5° |
| C9 | C10 | C13 | 115.2° | 109.5° |
| C9 | C10 | C11 | 108.0° | 109.4° |
| C14 | C9 | H9 | 109.5° | 109.5° |
| C9 | C14 | O15 | 120.5° | 120.0° |
| C9 | C14 | N16 | 117.2° | 120.0° |
| C12 | C10 | C13 | 108.4° | 109.5° |
| C12 | C10 | C11 | 109.0° | 109.5° |
| C10 | C12 | H121 | 109.5° | 109.4° |
| C10 | C12 | H122 | 109.5° | 109.4° |
| C10 | C12 | H123 | 109.5° | 109.5° |
| C13 | C10 | C11 | 110.0° | 109.5° |
| C10 | C13 | H131 | 109.5° | 109.5° |
| C10 | C13 | H132 | 109.4° | 109.5° |
| C10 | C13 | H133 | 109.5° | 109.5° |
| C10 | C11 | H111 | 109.5° | 109.5° |
| C10 | C11 | H112 | 109.5° | 109.4° |
| C10 | C11 | H113 | 109.5° | 109.4° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.5° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.4° |
| H121 | C12 | H122 | 109.4° | 109.5° |
| H121 | C12 | H123 | 109.5° | 109.5° |
| H122 | C12 | H123 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.4° | 109.4° |
| H132 | C13 | H133 | 109.5° | 109.4° |
| O15 | C14 | N16 | 122.2° | 120.0° |
| C14 | N16 | C17 | 128.2° | 127.8° |
| C14 | N16 | C18 | 119.9° | 127.9° |
| C17 | N16 | C18 | 111.8° | 104.3° |
| N16 | C17 | C20 | 100.3° | 104.6° |
| N16 | C17 | H171 | 111.7° | 110.4° |
| N16 | C17 | H172 | 111.7° | 110.4° |
| N16 | C18 | C24 | 107.9° | 110.4° |
| N16 | C18 | C19 | 108.5° | 104.6° |
| N16 | C18 | H18 | 109.4° | 110.4° |
| C20 | C17 | H171 | 111.7° | 110.5° |
| C20 | C17 | H172 | 111.7° | 110.5° |
| C17 | C20 | C19 | 112.7° | 104.9° |
| C17 | C20 | C21 | 110.3° | 118.2° |
| C17 | C20 | H20 | 120.2° | 117.6° |
| H171 | C17 | H172 | 109.5° | 110.4° |
| C24 | C18 | C19 | 112.9° | 110.4° |
| C24 | C18 | H18 | 108.7° | 110.3° |
| C18 | C24 | O25 | 120.0° | 120.0° |
| C18 | C24 | N26 | 116.6° | 120.0° |
| C19 | C18 | H18 | 109.3° | 110.6° |
| C18 | C19 | C20 | 100.8° | 104.9° |
| C18 | C19 | C21 | 126.6° | 118.1° |
| C18 | C19 | H19 | 116.6° | 117.6° |
| C20 | C19 | C21 | 60.9° | 59.9° |
| C20 | C19 | H19 | 116.2° | 121.8° |
| C19 | C20 | C21 | 59.4° | 59.5° |
| C19 | C20 | H20 | 119.9° | 121.8° |
| C21 | C19 | H19 | 116.3° | 120.2° |
| C19 | C21 | C20 | 59.7° | 60.6° |
| C19 | C21 | C23 | 115.7° | 117.4° |
| C19 | C21 | C22 | 117.7° | 117.5° |
| C21 | C20 | H20 | 119.5° | 120.4° |
| C20 | C21 | C23 | 121.0° | 117.4° |
| C20 | C21 | C22 | 115.5° | 117.5° |
| C23 | C21 | C22 | 115.7° | 115.5° |
| C21 | C23 | H231 | 109.5° | 109.4° |
| C21 | C23 | H232 | 109.4° | 109.5° |
| C21 | C23 | H233 | 109.5° | 109.5° |
| C21 | C22 | H221 | 109.5° | 109.4° |
| C21 | C22 | H222 | 109.5° | 109.5° |
| C21 | C22 | H223 | 109.4° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.4° |
| H221 | C22 | H223 | 109.5° | 109.5° |
| H222 | C22 | H223 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H231 | C23 | H233 | 109.5° | 109.4° |
| H232 | C23 | H233 | 109.5° | 109.5° |
| O25 | C24 | N26 | 123.4° | 120.0° |
| C24 | N26 | C27 | 122.1° | 120.0° |
| C24 | N26 | HN26 | 118.9° | 120.0° |
| C27 | N26 | HN26 | 118.9° | 120.0° |
| N26 | C27 | C28 | 109.9° | 109.5° |
| N26 | C27 | C34 | 111.6° | 109.5° |
| N26 | C27 | H27 | 109.0° | 109.5° |
| C28 | C27 | C34 | 110.4° | 109.5° |
| C28 | C27 | H27 | 108.1° | 109.5° |
| C27 | C28 | C29 | 115.3° | 109.5° |
| C27 | C28 | H281 | 108.0° | 109.4° |
| C27 | C28 | H282 | 108.0° | 109.5° |
| C34 | C27 | H27 | 107.7° | 109.5° |
| C27 | C34 | O33 | 110.1° | 120.0° |
| C27 | C34 | C37 | 107.4° | 120.0° |
| C29 | C28 | H281 | 108.0° | 109.5° |
| C29 | C28 | H282 | 108.0° | 109.5° |
| C28 | C29 | C31 | 116.9° | 113.6° |
| C28 | C29 | C30 | 114.8° | 113.6° |
| C28 | C29 | H29 | 111.7° | 112.8° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| C31 | C29 | C30 | 88.1° | 87.1° |
| C31 | C29 | H29 | 111.7° | 113.6° |
| C29 | C31 | C32 | 89.5° | 87.1° |
| C29 | C31 | H311 | 114.2° | 113.6° |
| C29 | C31 | H312 | 114.2° | 113.6° |
| C30 | C29 | H29 | 111.6° | 113.7° |
| C29 | C30 | C32 | 88.6° | 87.1° |
| C29 | C30 | H301 | 114.4° | 113.6° |
| C29 | C30 | H302 | 114.4° | 113.6° |
| C32 | C30 | H301 | 114.4° | 113.6° |
| C32 | C30 | H302 | 114.4° | 113.6° |
| C30 | C32 | C31 | 88.7° | 87.1° |
| C30 | C32 | H321 | 114.4° | 113.6° |
| C30 | C32 | H322 | 114.4° | 113.6° |
| H301 | C30 | H302 | 109.5° | 112.9° |
| C32 | C31 | H311 | 114.2° | 113.6° |
| C32 | C31 | H312 | 114.2° | 113.7° |
| C31 | C32 | H321 | 114.4° | 113.6° |
| C31 | C32 | H322 | 114.4° | 113.6° |
| H311 | C31 | H312 | 109.5° | 112.9° |
| H321 | C32 | H322 | 109.5° | 112.9° |
| O33 | C34 | C37 | 107.7° | 120.0° |
| C34 | C37 | O35 | 116.3° | 119.9° |
| C34 | C37 | N36 | 120.8° | 120.0° |
| O35 | C37 | N36 | 122.9° | 120.0° |
| C37 | N36 | H361 | 120.0° | 120.0° |
| C37 | N36 | H362 | 120.0° | 120.1° |
| H361 | N36 | H362 | 120.1° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N8 | C1 | N3 | O2 | 177.7° | 179.7° |
| N8 | C1 | N3 | C4 | 174.9° | 180.0° |
| N8 | C1 | N3 | HN3 | 5.1° | 0.0° |
| C1 | N8 | C9 | HN8 | 180.0° | 180.0° |
| C1 | N8 | C9 | C10 | 159.8° | 85.0° |
| C1 | N8 | C9 | C14 | 82.4° | 155.0° |
| C1 | N8 | C9 | H9 | 37.5° | 35.0° |
| C1 | N3 | C4 | HN3 | 180.0° | 179.9° |
| C1 | N3 | C4 | C6 | 74.5° | 60.0° |
| C1 | N3 | C4 | C5 | 166.1° | 59.9° |
| C1 | N3 | C4 | C7 | 45.1° | 180.0° |
| N3 | C1 | N8 | C9 | 167.6° | 180.0° |
| N3 | C1 | N8 | HN8 | 12.5° | 0.0° |
| O2 | C1 | N3 | C4 | 7.4° | 0.3° |
| O2 | C1 | N3 | HN3 | 172.6° | 179.8° |
| O2 | C1 | N8 | C9 | 14.8° | 0.2° |
| O2 | C1 | N8 | HN8 | 165.2° | 179.7° |
| N3 | C4 | C6 | C5 | 118.9° | 120.0° |
| N3 | C4 | C6 | C7 | 124.3° | 120.1° |
| N3 | C4 | C5 | C7 | 125.6° | 120.1° |
| N3 | C4 | C5 | H51 | 180.0° | 59.9° |
| N3 | C4 | C5 | H52 | 60.0° | 180.0° |
| N3 | C4 | C5 | H53 | 60.0° | 60.0° |
| N3 | C4 | C6 | H61 | 180.0° | 60.0° |
| N3 | C4 | C6 | H62 | 60.0° | 180.0° |
| N3 | C4 | C6 | H63 | 60.0° | 60.0° |
| N3 | C4 | C7 | H71 | 180.0° | 60.0° |
| N3 | C4 | C7 | H72 | 60.0° | 180.0° |
| N3 | C4 | C7 | H73 | 60.0° | 60.0° |
| HN3 | N3 | C4 | C6 | 105.5° | 120.0° |
| HN3 | N3 | C4 | C5 | 13.9° | 120.0° |
| HN3 | N3 | C4 | C7 | 134.9° | 0.0° |
| C6 | C4 | C5 | C7 | 117.0° | 120.0° |
| C6 | C4 | C5 | H51 | 62.5° | 60.0° |
| C6 | C4 | C5 | H52 | 177.5° | 60.0° |
| C6 | C4 | C5 | H53 | 57.5° | 180.0° |
| C4 | C6 | H61 | H62 | 120.0° | 120.1° |
| C4 | C6 | H61 | H63 | 120.0° | 120.0° |
| C4 | C6 | H62 | H63 | 120.0° | 120.0° |
| C6 | C4 | C7 | H71 | 60.7° | 180.0° |
| C6 | C4 | C7 | H72 | 59.3° | 59.9° |
| C6 | C4 | C7 | H73 | 179.3° | 60.0° |
| C4 | C5 | H51 | H52 | 120.0° | 120.1° |
| C4 | C5 | H51 | H53 | 120.0° | 120.0° |
| C4 | C5 | H52 | H53 | 120.0° | 120.0° |
| C5 | C4 | C6 | H61 | 61.1° | 180.0° |
| C5 | C4 | C6 | H62 | 58.9° | 60.0° |
| C5 | C4 | C6 | H63 | 178.9° | 60.0° |
| C5 | C4 | C7 | H71 | 58.0° | 60.1° |
| C5 | C4 | C7 | H72 | 178.0° | 60.0° |
| C5 | C4 | C7 | H73 | 62.1° | 180.0° |
| C7 | C4 | C5 | H51 | 54.5° | 180.0° |
| C7 | C4 | C5 | H52 | 65.6° | 60.0° |
| C7 | C4 | C5 | H53 | 174.4° | 60.1° |
| C7 | C4 | C6 | H61 | 55.7° | 60.0° |
| C7 | C4 | C6 | H62 | 175.7° | 60.0° |
| C7 | C4 | C6 | H63 | 64.3° | 180.0° |
| C4 | C7 | H71 | H72 | 120.0° | 120.0° |
| C4 | C7 | H71 | H73 | 120.0° | 119.9° |
| C4 | C7 | H72 | H73 | 120.0° | 120.0° |
| H51 | C5 | H52 | H53 | 120.0° | 119.9° |
| H61 | C6 | H62 | H63 | 120.0° | 120.0° |
| H71 | C7 | H72 | H73 | 120.0° | 120.0° |
| N8 | C9 | C10 | C14 | 118.8° | 120.0° |
| N8 | C9 | C10 | H9 | 123.0° | 120.0° |
| N8 | C9 | C14 | H9 | 120.5° | 120.0° |
| N8 | C9 | C10 | C12 | 74.0° | 62.6° |
| N8 | C9 | C10 | C13 | 45.9° | 177.4° |
| N8 | C9 | C10 | C11 | 169.3° | 57.3° |
| N8 | C9 | C14 | O15 | 56.1° | 27.9° |
| N8 | C9 | C14 | N16 | 119.3° | 152.2° |
| HN8 | N8 | C9 | C10 | 20.1° | 95.0° |
| HN8 | N8 | C9 | C14 | 97.6° | 25.0° |
| HN8 | N8 | C9 | H9 | 142.5° | 145.0° |
| C10 | C9 | C14 | H9 | 118.0° | 120.0° |
| C9 | C10 | C12 | C13 | 124.3° | 120.0° |
| C9 | C10 | C12 | C11 | 116.0° | 119.9° |
| C9 | C10 | C13 | C11 | 122.3° | 120.0° |
| C9 | C10 | C11 | H111 | 180.0° | 60.0° |
| C9 | C10 | C11 | H112 | 60.0° | 180.0° |
| C9 | C10 | C11 | H113 | 60.0° | 60.1° |
| C9 | C10 | C12 | H121 | 180.0° | 60.0° |
| C9 | C10 | C12 | H122 | 60.0° | 180.0° |
| C9 | C10 | C12 | H123 | 60.0° | 60.0° |
| C9 | C10 | C13 | H131 | 180.0° | 56.4° |
| C9 | C10 | C13 | H132 | 60.0° | 176.4° |
| C9 | C10 | C13 | H133 | 60.0° | 63.6° |
| C10 | C9 | C14 | O15 | 65.3° | 92.2° |
| C10 | C9 | C14 | N16 | 119.2° | 87.8° |
| C14 | C9 | C10 | C12 | 167.2° | 57.4° |
| C14 | C9 | C10 | C13 | 72.9° | 62.6° |
| C14 | C9 | C10 | C11 | 50.5° | 177.4° |
| C9 | C14 | O15 | N16 | 175.2° | 180.0° |
| C9 | C14 | N16 | C17 | 4.5° | 4.1° |
| C9 | C14 | N16 | C18 | 179.7° | 175.6° |
| H9 | C9 | C10 | C12 | 49.0° | 177.4° |
| H9 | C9 | C10 | C13 | 168.9° | 57.4° |
| H9 | C9 | C10 | C11 | 67.7° | 62.6° |
| H9 | C9 | C14 | O15 | 176.6° | 147.8° |
| H9 | C9 | C14 | N16 | 1.2° | 32.2° |
| C12 | C10 | C13 | C11 | 119.1° | 120.0° |
| C12 | C10 | C11 | H111 | 65.3° | 60.0° |
| C12 | C10 | C11 | H112 | 174.7° | 60.1° |
| C12 | C10 | C11 | H113 | 54.8° | 180.0° |
| C10 | C12 | H121 | H122 | 120.0° | 120.0° |
| C10 | C12 | H121 | H123 | 120.0° | 120.0° |
| C10 | C12 | H122 | H123 | 120.0° | 120.0° |
| C12 | C10 | C13 | H131 | 61.4° | 176.4° |
| C12 | C10 | C13 | H132 | 58.5° | 63.6° |
| C12 | C10 | C13 | H133 | 178.6° | 56.4° |
| C13 | C10 | C11 | H111 | 53.4° | 180.0° |
| C13 | C10 | C11 | H112 | 66.5° | 60.0° |
| C13 | C10 | C11 | H113 | 173.5° | 59.9° |
| C13 | C10 | C12 | H121 | 55.7° | 60.0° |
| C13 | C10 | C12 | H122 | 175.7° | 60.0° |
| C13 | C10 | C12 | H123 | 64.3° | 180.0° |
| C10 | C13 | H131 | H132 | 120.0° | 120.0° |
| C10 | C13 | H131 | H133 | 120.0° | 120.0° |
| C10 | C13 | H132 | H133 | 120.0° | 120.0° |
| C10 | C11 | H111 | H112 | 120.0° | 120.0° |
| C10 | C11 | H111 | H113 | 120.0° | 120.0° |
| C10 | C11 | H112 | H113 | 120.0° | 119.9° |
| C11 | C10 | C12 | H121 | 64.0° | 179.9° |
| C11 | C10 | C12 | H122 | 56.0° | 60.1° |
| C11 | C10 | C12 | H123 | 176.0° | 60.0° |
| C11 | C10 | C13 | H131 | 57.6° | 63.6° |
| C11 | C10 | C13 | H132 | 177.6° | 56.4° |
| C11 | C10 | C13 | H133 | 62.3° | 176.4° |
| H111 | C11 | H112 | H113 | 120.0° | 120.0° |
| H121 | C12 | H122 | H123 | 120.0° | 120.0° |
| H131 | C13 | H132 | H133 | 120.0° | 119.9° |
| O15 | C14 | N16 | C17 | 170.9° | 175.9° |
| O15 | C14 | N16 | C18 | 5.0° | 4.4° |
| C14 | N16 | C17 | C18 | 176.1° | 179.8° |
| C14 | N16 | C17 | C20 | 174.9° | 140.4° |
| C14 | N16 | C17 | H171 | 66.6° | 21.6° |
| C14 | N16 | C17 | H172 | 56.4° | 100.8° |
| C14 | N16 | C18 | C24 | 66.9° | 100.8° |
| C14 | N16 | C18 | C19 | 170.4° | 140.4° |
| C14 | N16 | C18 | H18 | 51.2° | 21.4° |
| N16 | C17 | C20 | H171 | 118.5° | 118.8° |
| N16 | C17 | C20 | H172 | 118.5° | 118.8° |
| N16 | C17 | H171 | H172 | 124.3° | 122.3° |
| C17 | N16 | C18 | C24 | 116.6° | 79.0° |
| C17 | N16 | C18 | C19 | 6.1° | 39.8° |
| C17 | N16 | C18 | H18 | 125.3° | 158.8° |
| N16 | C17 | C20 | C19 | 21.4° | 24.0° |
| N16 | C17 | C20 | C21 | 85.8° | 39.0° |
| N16 | C17 | C20 | H20 | 128.9° | 163.0° |
| C18 | N16 | C17 | C20 | 9.0° | 39.8° |
| C18 | N16 | C17 | H171 | 109.5° | 158.7° |
| C18 | N16 | C17 | H172 | 127.4° | 79.0° |
| N16 | C18 | C24 | C19 | 119.9° | 115.2° |
| N16 | C18 | C24 | H18 | 118.6° | 122.3° |
| N16 | C18 | C19 | H18 | 119.3° | 118.8° |
| N16 | C18 | C19 | C20 | 17.9° | 24.0° |
| N16 | C18 | C19 | C21 | 43.7° | 39.5° |
| N16 | C18 | C19 | H19 | 144.6° | 163.0° |
| N16 | C18 | C24 | O25 | 46.4° | 18.6° |
| N16 | C18 | C24 | N26 | 131.5° | 161.4° |
| C20 | C17 | H171 | H172 | 124.2° | 122.5° |
| C17 | C20 | C19 | C18 | 25.1° | 0.0° |
| C17 | C20 | C19 | C21 | 100.9° | 114.2° |
| C17 | C20 | C19 | H20 | 150.4° | 136.8° |
| C17 | C20 | C19 | H19 | 152.2° | 136.8° |
| C17 | C20 | C21 | H20 | 145.6° | 157.3° |
| C17 | C20 | C21 | C23 | 1.5° | 16.4° |
| C17 | C20 | C21 | C22 | 146.4° | 161.0° |
| H171 | C17 | C20 | C19 | 97.0° | 142.8° |
| H171 | C17 | C20 | C21 | 32.7° | 79.8° |
| H171 | C17 | C20 | H20 | 112.7° | 78.2° |
| H172 | C17 | C20 | C19 | 140.0° | 94.8° |
| H172 | C17 | C20 | C21 | 155.7° | 157.8° |
| H172 | C17 | C20 | H20 | 10.3° | 44.2° |
| C24 | C18 | C19 | H18 | 121.1° | 122.4° |
| C24 | C18 | C19 | C20 | 101.7° | 94.8° |
| C24 | C18 | C19 | C21 | 163.3° | 158.3° |
| C24 | C18 | C19 | H19 | 25.1° | 44.2° |
| C18 | C24 | O25 | N26 | 177.7° | 179.9° |
| C18 | C24 | N26 | C27 | 179.6° | 179.9° |
| C18 | C24 | N26 | HN26 | 0.4° | 0.0° |
| C18 | C19 | C20 | C21 | 126.1° | 114.2° |
| C18 | C19 | C20 | H19 | 127.0° | 136.8° |
| C18 | C19 | C21 | H19 | 171.7° | 156.9° |
| C18 | C19 | C20 | H20 | 125.3° | 136.8° |
| C18 | C19 | C21 | C23 | 30.9° | 16.1° |
| C18 | C19 | C21 | C22 | 173.6° | 160.8° |
| C19 | C18 | C24 | O25 | 73.6° | 96.6° |
| C19 | C18 | C24 | N26 | 108.6° | 83.3° |
| H18 | C18 | C19 | C20 | 137.2° | 142.8° |
| H18 | C18 | C19 | C21 | 75.6° | 79.3° |
| H18 | C18 | C19 | H19 | 96.1° | 78.2° |
| H18 | C18 | C24 | O25 | 164.9° | 140.9° |
| H18 | C18 | C24 | N26 | 12.9° | 39.2° |
| C20 | C19 | C21 | H19 | 106.8° | 111.6° |
| C19 | C20 | C21 | H20 | 109.3° | 111.4° |
| C20 | C19 | C21 | C23 | 112.4° | 107.6° |
| C20 | C19 | C21 | C22 | 104.8° | 107.7° |
| C19 | C21 | C23 | C22 | 143.5° | 145.4° |
| C19 | C21 | C22 | H221 | 180.0° | 60.0° |
| C19 | C21 | C22 | H222 | 60.0° | 180.0° |
| C19 | C21 | C22 | H223 | 60.0° | 60.0° |
| C19 | C21 | C23 | H231 | 180.0° | 60.0° |
| C19 | C21 | C23 | H232 | 60.0° | 179.9° |
| C19 | C21 | C23 | H233 | 60.0° | 60.0° |
| H19 | C19 | C20 | H20 | 1.8° | 0.0° |
| H19 | C19 | C21 | C23 | 140.8° | 140.8° |
| H19 | C19 | C21 | C22 | 1.9° | 3.9° |
| C20 | C21 | C23 | C22 | 147.9° | 145.3° |
| C20 | C21 | C22 | H221 | 112.4° | 129.4° |
| C20 | C21 | C22 | H222 | 7.6° | 110.7° |
| C20 | C21 | C22 | H223 | 127.6° | 9.4° |
| C20 | C21 | C23 | H231 | 111.4° | 9.3° |
| C20 | C21 | C23 | H232 | 128.6° | 110.7° |
| C20 | C21 | C23 | H233 | 8.6° | 129.3° |
| H20 | C20 | C21 | C23 | 147.2° | 140.9° |
| H20 | C20 | C21 | C22 | 0.8° | 3.7° |
| C23 | C21 | C22 | H221 | 37.3° | 85.4° |
| C23 | C21 | C22 | H222 | 157.3° | 34.5° |
| C23 | C21 | C22 | H223 | 82.7° | 154.6° |
| C21 | C23 | H231 | H232 | 120.0° | 120.0° |
| C21 | C23 | H231 | H233 | 120.0° | 120.0° |
| C21 | C23 | H232 | H233 | 120.0° | 120.0° |
| C21 | C22 | H221 | H222 | 120.0° | 120.0° |
| C21 | C22 | H221 | H223 | 120.0° | 120.0° |
| C21 | C22 | H222 | H223 | 120.0° | 120.0° |
| C22 | C21 | C23 | H231 | 36.5° | 154.6° |
| C22 | C21 | C23 | H232 | 83.5° | 34.6° |
| C22 | C21 | C23 | H233 | 156.5° | 85.4° |
| H221 | C22 | H222 | H223 | 120.0° | 120.0° |
| H231 | C23 | H232 | H233 | 120.0° | 120.0° |
| O25 | C24 | N26 | C27 | 1.9° | 0.0° |
| O25 | C24 | N26 | HN26 | 178.1° | 180.0° |
| C24 | N26 | C27 | HN26 | 180.0° | 180.0° |
| C24 | N26 | C27 | C28 | 118.4° | 155.0° |
| C24 | N26 | C27 | C34 | 118.8° | 85.0° |
| C24 | N26 | C27 | H27 | 0.1° | 35.0° |
| N26 | C27 | C28 | C34 | 123.5° | 120.0° |
| N26 | C27 | C28 | H27 | 118.9° | 120.0° |
| N26 | C27 | C34 | H27 | 119.6° | 120.0° |
| N26 | C27 | C28 | C29 | 65.6° | 65.0° |
| N26 | C27 | C28 | H281 | 55.3° | 55.0° |
| N26 | C27 | C28 | H282 | 173.6° | 175.0° |
| N26 | C27 | C34 | O33 | 49.8° | 14.9° |
| N26 | C27 | C34 | C37 | 166.8° | 165.0° |
| HN26 | N26 | C27 | C28 | 61.6° | 25.0° |
| HN26 | N26 | C27 | C34 | 61.2° | 95.0° |
| HN26 | N26 | C27 | H27 | 179.9° | 145.0° |
| C28 | C27 | C34 | H27 | 117.8° | 120.0° |
| C27 | C28 | C29 | H281 | 120.9° | 120.0° |
| C27 | C28 | C29 | H282 | 120.8° | 120.0° |
| C27 | C28 | H281 | H282 | 117.3° | 120.0° |
| C27 | C28 | C29 | C31 | 85.9° | 175.0° |
| C27 | C28 | C29 | C30 | 172.9° | 87.5° |
| C27 | C28 | C29 | H29 | 44.5° | 43.8° |
| C28 | C27 | C34 | O33 | 172.3° | 105.1° |
| C28 | C27 | C34 | C37 | 70.7° | 75.0° |
| C34 | C27 | C28 | C29 | 170.9° | 175.0° |
| C34 | C27 | C28 | H281 | 68.3° | 65.0° |
| C34 | C27 | C28 | H282 | 50.0° | 55.0° |
| C27 | C34 | O33 | C37 | 116.8° | 179.9° |
| C27 | C34 | C37 | O35 | 94.2° | 0.1° |
| C27 | C34 | C37 | N36 | 85.2° | 180.0° |
| H27 | C27 | C28 | C29 | 53.3° | 55.0° |
| H27 | C27 | C28 | H281 | 174.2° | 175.0° |
| H27 | C27 | C28 | H282 | 67.5° | 65.0° |
| H27 | C27 | C34 | O33 | 69.8° | 135.0° |
| H27 | C27 | C34 | C37 | 47.2° | 44.9° |
| C29 | C28 | H281 | H282 | 117.3° | 120.0° |
| C28 | C29 | C31 | C30 | 117.1° | 114.5° |
| C28 | C29 | C31 | H29 | 130.4° | 130.8° |
| C28 | C29 | C30 | H29 | 128.4° | 130.9° |
| C28 | C29 | C30 | C32 | 135.8° | 140.0° |
| C28 | C29 | C30 | H301 | 107.9° | 105.5° |
| C28 | C29 | C30 | H302 | 19.5° | 25.5° |
| C28 | C29 | C31 | C32 | 134.1° | 140.0° |
| C28 | C29 | C31 | H311 | 17.6° | 25.4° |
| C28 | C29 | C31 | H312 | 109.4° | 105.4° |
| H281 | C28 | C29 | C31 | 153.2° | 65.0° |
| H281 | C28 | C29 | C30 | 52.0° | 32.5° |
| H281 | C28 | C29 | H29 | 76.3° | 163.8° |
| H282 | C28 | C29 | C31 | 35.0° | 55.0° |
| H282 | C28 | C29 | C30 | 66.3° | 152.5° |
| H282 | C28 | C29 | H29 | 165.4° | 76.2° |
| C31 | C29 | C30 | H29 | 112.6° | 114.5° |
| C31 | C29 | C30 | C32 | 16.9° | 25.4° |
| C31 | C29 | C30 | H301 | 133.1° | 140.0° |
| C31 | C29 | C30 | H302 | 99.4° | 89.1° |
| C29 | C31 | C32 | H311 | 116.5° | 114.5° |
| C29 | C31 | C32 | H312 | 116.5° | 114.6° |
| C29 | C31 | H311 | H312 | 129.5° | 131.2° |
| C29 | C31 | C32 | H321 | 99.2° | 89.1° |
| C29 | C31 | C32 | H322 | 133.4° | 140.0° |
| C29 | C30 | C32 | H301 | 116.3° | 114.6° |
| C29 | C30 | C32 | H302 | 116.3° | 114.6° |
| C29 | C30 | H301 | H302 | 129.9° | 131.3° |
| C30 | C29 | C31 | H311 | 99.4° | 89.1° |
| C30 | C29 | C31 | H312 | 133.5° | 140.0° |
| C29 | C30 | C32 | H321 | 99.3° | 89.1° |
| C29 | C30 | C32 | H322 | 133.3° | 140.0° |
| H29 | C29 | C30 | C32 | 95.7° | 89.1° |
| H29 | C29 | C30 | H301 | 20.5° | 25.4° |
| H29 | C29 | C30 | H302 | 148.0° | 156.3° |
| H29 | C29 | C31 | C32 | 95.5° | 89.2° |
| H29 | C29 | C31 | H311 | 148.1° | 156.2° |
| H29 | C29 | C31 | H312 | 21.0° | 25.4° |
| C32 | C30 | H301 | H302 | 129.9° | 131.2° |
| C30 | C32 | C31 | H321 | 116.3° | 114.5° |
| C30 | C32 | C31 | H322 | 116.3° | 114.5° |
| C30 | C32 | C31 | H311 | 99.4° | 89.1° |
| C30 | C32 | C31 | H312 | 133.6° | 140.0° |
| C30 | C32 | H321 | H322 | 129.9° | 131.2° |
| H301 | C30 | C32 | C31 | 133.3° | 140.0° |
| H301 | C30 | C32 | H321 | 17.0° | 25.5° |
| H301 | C30 | C32 | H322 | 110.4° | 105.5° |
| H302 | C30 | C32 | C31 | 99.3° | 89.1° |
| H302 | C30 | C32 | H321 | 144.4° | 156.3° |
| H302 | C30 | C32 | H322 | 17.0° | 25.4° |
| C32 | C31 | H311 | H312 | 129.5° | 131.3° |
| C31 | C32 | H321 | H322 | 129.9° | 131.3° |
| H311 | C31 | C32 | H321 | 144.3° | 156.4° |
| H311 | C31 | C32 | H322 | 16.9° | 25.4° |
| H312 | C31 | C32 | H321 | 17.3° | 25.5° |
| H312 | C31 | C32 | H322 | 110.1° | 105.5° |
| O33 | C34 | C37 | O35 | 147.3° | 180.0° |
| O33 | C34 | C37 | N36 | 33.3° | 0.1° |
| C34 | C37 | O35 | N36 | 179.4° | 180.0° |
| C34 | C37 | N36 | H361 | 179.4° | 0.0° |
| C34 | C37 | N36 | H362 | 0.7° | 180.0° |
| O35 | C37 | N36 | H361 | 0.0° | 179.9° |
| O35 | C37 | N36 | H362 | 180.0° | 0.0° |
| C37 | N36 | H361 | H362 | 180.0° | 179.9° |
