MXG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O34 | C33 | doub | 1.21Å | 1.22Å | |
| C33 | C35 | sing | 1.51Å | 1.50Å | |
| C33 | N32 | sing | 1.35Å | 1.34Å | |
| C35 | H351 | sing | 1.09Å | 1.12Å | |
| C35 | H352 | sing | 1.09Å | 1.12Å | |
| C35 | H353 | sing | 1.09Å | 1.12Å | |
| N32 | C30 | sing | 1.46Å | 1.46Å | |
| N32 | H32 | sing | 0.97Å | 1.02Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | C28 | sing | 1.51Å | 1.51Å | |
| C30 | H30 | sing | 1.09Å | 1.11Å | |
| C31 | H311 | sing | 1.09Å | 1.11Å | |
| C31 | H312 | sing | 1.09Å | 1.11Å | |
| C31 | H313 | sing | 1.09Å | 1.11Å | |
| C28 | O29 | doub | 1.21Å | 1.22Å | |
| C28 | N27 | sing | 1.35Å | 1.34Å | |
| N27 | C23 | sing | 1.47Å | 1.46Å | |
| N27 | H27 | sing | 0.97Å | 1.02Å | |
| C23 | C24 | sing | 1.51Å | 1.51Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C23 | H23 | sing | 1.09Å | 1.11Å | |
| C24 | O26 | sing | 1.34Å | 1.24Å | |
| C24 | O25 | doub | 1.21Å | 1.25Å | |
| O26 | H26 | sing | 0.97Å | 0.95Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| C21 | C19 | sing | 1.51Å | 1.51Å | |
| C21 | H211 | sing | 1.09Å | 1.12Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| C19 | O20 | doub | 1.21Å | 1.22Å | |
| C19 | N18 | sing | 1.35Å | 1.35Å | |
| N18 | C12 | sing | 1.46Å | 1.48Å | |
| N18 | H18 | sing | 0.97Å | 1.02Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | C10 | sing | 1.51Å | 1.52Å | |
| C12 | H12 | sing | 1.09Å | 1.11Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C16 | N17 | sing | 1.47Å | 1.45Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| N17 | H171 | sing | 1.01Å | 1.02Å | |
| N17 | H172 | sing | 1.01Å | 1.02Å | |
| C10 | O11 | doub | 1.21Å | 1.22Å | |
| C10 | N9 | sing | 1.35Å | 1.33Å | |
| N9 | C7 | sing | 1.46Å | 1.47Å | |
| N9 | HN9 | sing | 0.97Å | 1.02Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C7 | HC7 | sing | 1.09Å | 1.11Å | |
| C8 | O8A | doub | 1.21Å | 1.20Å | |
| C8 | HC8 | sing | 1.08Å | 1.10Å | |
| C6 | S1 | sing | 1.81Å | 1.77Å | |
| C6 | N5 | sing | 1.45Å | 1.47Å | |
| C6 | HC6 | sing | 1.09Å | 1.11Å | |
| S1 | C2 | sing | 1.82Å | 1.77Å | |
| N5 | C4 | doub | 1.28Å | 1.28Å | |
| C4 | C4A | sing | 1.49Å | 1.47Å | |
| C4 | C3 | sing | 1.47Å | 1.47Å | |
| C4A | O4B | doub | 1.21Å | 1.26Å | |
| C4A | O4A | sing | 1.35Å | 1.25Å | |
| O4A | HO4 | sing | 0.97Å | 0.95Å | |
| C3 | C3A | doub | 1.33Å | 1.32Å | |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C3A | HC31 | sing | 1.08Å | 1.10Å | |
| C3A | HC32 | sing | 1.08Å | 1.10Å | |
| C2 | HC21 | sing | 1.09Å | 1.11Å | |
| C2 | HC22 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O34 | C33 | C35 | 120.3° | 120.0° |
| O34 | C33 | N32 | 122.3° | 120.0° |
| C35 | C33 | N32 | 117.4° | 120.1° |
| C33 | C35 | H351 | 120.4° | 109.5° |
| C33 | C35 | H352 | 108.3° | 109.5° |
| C33 | C35 | H353 | 108.3° | 109.4° |
| C33 | N32 | C30 | 119.4° | 120.1° |
| C33 | N32 | H32 | 116.1° | 120.0° |
| H351 | C35 | H352 | 108.3° | 109.5° |
| H351 | C35 | H353 | 108.3° | 109.4° |
| H352 | C35 | H353 | 101.6° | 109.5° |
| C30 | N32 | H32 | 124.5° | 120.0° |
| N32 | C30 | C31 | 112.2° | 109.5° |
| N32 | C30 | C28 | 112.0° | 109.5° |
| N32 | C30 | H30 | 107.8° | 109.4° |
| C31 | C30 | C28 | 114.9° | 109.5° |
| C31 | C30 | H30 | 104.4° | 109.5° |
| C30 | C31 | H311 | 112.2° | 109.5° |
| C30 | C31 | H312 | 111.1° | 109.5° |
| C30 | C31 | H313 | 111.1° | 109.5° |
| C28 | C30 | H30 | 104.7° | 109.5° |
| C30 | C28 | O29 | 116.5° | 120.0° |
| C30 | C28 | N27 | 124.1° | 120.0° |
| H311 | C31 | H312 | 111.3° | 109.4° |
| H311 | C31 | H313 | 111.2° | 109.5° |
| H312 | C31 | H313 | 99.2° | 109.5° |
| O29 | C28 | N27 | 119.3° | 120.0° |
| C28 | N27 | C23 | 130.5° | 120.0° |
| C28 | N27 | H27 | 109.4° | 120.0° |
| C23 | N27 | H27 | 120.0° | 120.1° |
| N27 | C23 | C24 | 115.0° | 109.5° |
| N27 | C23 | C22 | 100.8° | 109.4° |
| N27 | C23 | H23 | 113.2° | 109.5° |
| C24 | C23 | C22 | 113.5° | 109.5° |
| C24 | C23 | H23 | 100.3° | 109.5° |
| C23 | C24 | O26 | 117.3° | 120.0° |
| C23 | C24 | O25 | 122.4° | 120.0° |
| C22 | C23 | H23 | 114.7° | 109.4° |
| C23 | C22 | C21 | 114.7° | 109.5° |
| C23 | C22 | H221 | 110.3° | 109.5° |
| C23 | C22 | H222 | 110.3° | 109.4° |
| O26 | C24 | O25 | 120.3° | 120.0° |
| C24 | O26 | H26 | 117.3° | 120.0° |
| C21 | C22 | H221 | 110.3° | 109.5° |
| C21 | C22 | H222 | 110.3° | 109.5° |
| C22 | C21 | C19 | 113.8° | 109.4° |
| C22 | C21 | H211 | 110.6° | 109.5° |
| C22 | C21 | H212 | 110.6° | 109.5° |
| H221 | C22 | H222 | 99.9° | 109.5° |
| C19 | C21 | H211 | 110.6° | 109.5° |
| C19 | C21 | H212 | 110.6° | 109.5° |
| C21 | C19 | O20 | 117.7° | 120.0° |
| C21 | C19 | N18 | 118.6° | 120.0° |
| H211 | C21 | H212 | 99.7° | 109.5° |
| O20 | C19 | N18 | 123.6° | 119.9° |
| C19 | N18 | C12 | 128.3° | 120.1° |
| C19 | N18 | H18 | 110.2° | 120.0° |
| C12 | N18 | H18 | 121.5° | 119.9° |
| N18 | C12 | C13 | 109.0° | 109.5° |
| N18 | C12 | C10 | 114.8° | 109.5° |
| N18 | C12 | H12 | 107.6° | 109.4° |
| C13 | C12 | C10 | 113.5° | 109.5° |
| C13 | C12 | H12 | 109.1° | 109.4° |
| C12 | C13 | C14 | 113.9° | 109.5° |
| C12 | C13 | H131 | 110.6° | 109.4° |
| C12 | C13 | H132 | 110.6° | 109.5° |
| C10 | C12 | H12 | 102.5° | 109.5° |
| C12 | C10 | O11 | 122.2° | 120.0° |
| C12 | C10 | N9 | 116.4° | 120.0° |
| C14 | C13 | H131 | 110.6° | 109.5° |
| C14 | C13 | H132 | 110.6° | 109.5° |
| C13 | C14 | C15 | 112.4° | 109.5° |
| C13 | C14 | H141 | 111.1° | 109.4° |
| C13 | C14 | H142 | 111.1° | 109.5° |
| H131 | C13 | H132 | 99.7° | 109.4° |
| C15 | C14 | H141 | 111.2° | 109.4° |
| C15 | C14 | H142 | 111.1° | 109.5° |
| C14 | C15 | C16 | 112.9° | 109.6° |
| C14 | C15 | H151 | 111.0° | 109.5° |
| C14 | C15 | H152 | 110.9° | 109.5° |
| H141 | C14 | H142 | 99.3° | 109.4° |
| C16 | C15 | H151 | 110.9° | 109.4° |
| C16 | C15 | H152 | 111.0° | 109.4° |
| C15 | C16 | N17 | 112.7° | 109.6° |
| C15 | C16 | H161 | 111.0° | 109.4° |
| C15 | C16 | H162 | 111.1° | 109.5° |
| H151 | C15 | H152 | 99.4° | 109.4° |
| N17 | C16 | H161 | 111.0° | 109.5° |
| N17 | C16 | H162 | 111.1° | 109.5° |
| C16 | N17 | H171 | 112.6° | 106.7° |
| C16 | N17 | H172 | 111.0° | 106.6° |
| H161 | C16 | H162 | 99.2° | 109.5° |
| H171 | N17 | H172 | 111.0° | 106.8° |
| O11 | C10 | N9 | 121.5° | 120.0° |
| C10 | N9 | C7 | 127.5° | 120.0° |
| C10 | N9 | HN9 | 110.8° | 120.0° |
| C7 | N9 | HN9 | 121.8° | 120.0° |
| N9 | C7 | C8 | 117.8° | 109.5° |
| N9 | C7 | C6 | 105.7° | 109.5° |
| N9 | C7 | HC7 | 106.4° | 109.4° |
| C8 | C7 | C6 | 109.4° | 109.5° |
| C8 | C7 | HC7 | 102.5° | 109.5° |
| C7 | C8 | O8A | 122.9° | 120.0° |
| C7 | C8 | HC8 | 131.0° | 120.0° |
| C6 | C7 | HC7 | 115.5° | 109.5° |
| C7 | C6 | S1 | 108.8° | 109.2° |
| C7 | C6 | N5 | 114.9° | 109.2° |
| C7 | C6 | HC6 | 104.6° | 109.2° |
| O8A | C8 | HC8 | 106.1° | 120.0° |
| S1 | C6 | N5 | 103.9° | 110.8° |
| S1 | C6 | HC6 | 115.5° | 109.2° |
| C6 | S1 | C2 | 94.6° | 99.0° |
| N5 | C6 | HC6 | 109.4° | 109.2° |
| C6 | N5 | C4 | 120.5° | 127.5° |
| S1 | C2 | C3 | 111.8° | 107.1° |
| S1 | C2 | HC21 | 111.3° | 109.9° |
| S1 | C2 | HC22 | 111.3° | 110.0° |
| N5 | C4 | C4A | 120.2° | 117.4° |
| N5 | C4 | C3 | 116.8° | 125.2° |
| C4A | C4 | C3 | 123.1° | 117.4° |
| C4 | C4A | O4B | 119.6° | 120.0° |
| C4 | C4A | O4A | 119.3° | 120.0° |
| C4 | C3 | C3A | 120.9° | 120.5° |
| C4 | C3 | C2 | 119.6° | 119.1° |
| O4B | C4A | O4A | 121.1° | 120.0° |
| C4A | O4A | HO4 | 119.4° | 120.0° |
| C3A | C3 | C2 | 119.4° | 120.5° |
| C3 | C3A | HC31 | 119.4° | 120.0° |
| C3 | C3A | HC32 | 120.9° | 120.1° |
| C3 | C2 | HC21 | 111.3° | 109.9° |
| C3 | C2 | HC22 | 111.3° | 109.9° |
| HC31 | C3A | HC32 | 119.7° | 120.0° |
| HC21 | C2 | HC22 | 99.1° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O34 | C33 | C35 | N32 | 178.4° | 180.0° |
| O34 | C33 | C35 | H351 | 180.0° | 0.0° |
| O34 | C33 | C35 | H352 | 54.7° | 120.1° |
| O34 | C33 | C35 | H353 | 54.8° | 119.9° |
| O34 | C33 | N32 | C30 | 0.3° | 0.0° |
| O34 | C33 | N32 | H32 | 179.7° | 179.9° |
| C33 | C35 | H351 | H352 | 125.3° | 120.1° |
| C33 | C35 | H351 | H353 | 125.2° | 119.9° |
| C33 | C35 | H352 | H353 | 114.0° | 120.0° |
| C35 | C33 | N32 | C30 | 178.6° | 180.0° |
| C35 | C33 | N32 | H32 | 1.3° | 0.1° |
| N32 | C33 | C35 | H351 | 1.5° | 180.0° |
| N32 | C33 | C35 | H352 | 126.9° | 59.9° |
| N32 | C33 | C35 | H353 | 123.7° | 60.0° |
| C33 | N32 | C30 | H32 | 180.0° | 179.9° |
| C33 | N32 | C30 | C31 | 110.0° | 90.0° |
| C33 | N32 | C30 | C28 | 119.1° | 150.0° |
| C33 | N32 | C30 | H30 | 4.5° | 30.0° |
| H351 | C35 | H352 | H353 | 113.9° | 120.0° |
| N32 | C30 | C31 | C28 | 129.4° | 120.0° |
| N32 | C30 | C31 | H30 | 116.5° | 120.0° |
| N32 | C30 | C28 | H30 | 116.5° | 120.0° |
| N32 | C30 | C31 | H311 | 180.0° | 60.1° |
| N32 | C30 | C31 | H312 | 54.7° | 180.0° |
| N32 | C30 | C31 | H313 | 54.7° | 60.0° |
| N32 | C30 | C28 | O29 | 108.7° | 0.0° |
| N32 | C30 | C28 | N27 | 68.9° | 180.0° |
| H32 | N32 | C30 | C31 | 70.0° | 90.0° |
| H32 | N32 | C30 | C28 | 60.9° | 30.0° |
| H32 | N32 | C30 | H30 | 175.5° | 150.1° |
| C31 | C30 | C28 | H30 | 113.9° | 120.0° |
| C30 | C31 | H311 | H312 | 125.2° | 120.0° |
| C30 | C31 | H311 | H313 | 125.2° | 120.0° |
| C30 | C31 | H312 | H313 | 117.0° | 120.0° |
| C31 | C30 | C28 | O29 | 121.7° | 120.0° |
| C31 | C30 | C28 | N27 | 60.7° | 60.0° |
| C28 | C30 | C31 | H311 | 50.5° | 60.0° |
| C28 | C30 | C31 | H312 | 175.9° | 60.0° |
| C28 | C30 | C31 | H313 | 74.7° | 180.0° |
| C30 | C28 | O29 | N27 | 177.7° | 180.0° |
| C30 | C28 | N27 | C23 | 3.3° | 180.0° |
| C30 | C28 | N27 | H27 | 176.7° | 0.0° |
| H30 | C30 | C31 | H311 | 63.5° | 180.0° |
| H30 | C30 | C31 | H312 | 61.8° | 60.0° |
| H30 | C30 | C31 | H313 | 171.2° | 60.0° |
| H30 | C30 | C28 | O29 | 7.8° | 120.0° |
| H30 | C30 | C28 | N27 | 174.6° | 60.0° |
| H311 | C31 | H312 | H313 | 117.2° | 120.0° |
| O29 | C28 | N27 | C23 | 179.2° | 0.0° |
| O29 | C28 | N27 | H27 | 0.9° | 180.0° |
| C28 | N27 | C23 | H27 | 180.0° | 180.0° |
| C28 | N27 | C23 | C24 | 90.3° | 90.0° |
| C28 | N27 | C23 | C22 | 147.2° | 150.0° |
| C28 | N27 | C23 | H23 | 24.2° | 30.1° |
| N27 | C23 | C24 | C22 | 115.4° | 120.0° |
| N27 | C23 | C24 | H23 | 121.7° | 120.0° |
| N27 | C23 | C22 | H23 | 121.9° | 120.0° |
| N27 | C23 | C24 | O26 | 128.2° | 29.9° |
| N27 | C23 | C24 | O25 | 53.8° | 150.0° |
| N27 | C23 | C22 | C21 | 176.9° | 60.0° |
| N27 | C23 | C22 | H221 | 51.6° | 180.0° |
| N27 | C23 | C22 | H222 | 57.8° | 60.0° |
| H27 | N27 | C23 | C24 | 89.7° | 90.0° |
| H27 | N27 | C23 | C22 | 32.9° | 30.0° |
| H27 | N27 | C23 | H23 | 155.8° | 150.0° |
| C24 | C23 | C22 | H23 | 114.6° | 120.0° |
| C23 | C24 | O26 | O25 | 178.0° | 180.0° |
| C23 | C24 | O26 | H26 | 179.9° | 180.0° |
| C24 | C23 | C22 | C21 | 53.3° | 180.0° |
| C24 | C23 | C22 | H221 | 71.9° | 60.0° |
| C24 | C23 | C22 | H222 | 178.7° | 60.0° |
| C22 | C23 | C24 | O26 | 116.4° | 90.0° |
| C22 | C23 | C24 | O25 | 61.6° | 90.0° |
| C23 | C22 | C21 | H221 | 125.2° | 120.0° |
| C23 | C22 | C21 | H222 | 125.3° | 120.0° |
| C23 | C22 | H221 | H222 | 116.1° | 120.0° |
| C23 | C22 | C21 | C19 | 69.8° | 180.0° |
| C23 | C22 | C21 | H211 | 55.5° | 60.0° |
| C23 | C22 | C21 | H212 | 165.0° | 60.0° |
| H23 | C23 | C24 | O26 | 6.5° | 150.0° |
| H23 | C23 | C24 | O25 | 175.6° | 30.0° |
| H23 | C23 | C22 | C21 | 61.2° | 60.0° |
| H23 | C23 | C22 | H221 | 173.5° | 60.0° |
| H23 | C23 | C22 | H222 | 64.1° | NaN° |
| O25 | C24 | O26 | H26 | 2.1° | 0.1° |
| C21 | C22 | H221 | H222 | 116.2° | 120.0° |
| C22 | C21 | C19 | H211 | 125.2° | 120.0° |
| C22 | C21 | C19 | H212 | 125.3° | 120.0° |
| C22 | C21 | H211 | H212 | 116.5° | 120.0° |
| C22 | C21 | C19 | O20 | 135.0° | 0.0° |
| C22 | C21 | C19 | N18 | 49.1° | 180.0° |
| H221 | C22 | C21 | C19 | 165.0° | 60.0° |
| H221 | C22 | C21 | H211 | 69.8° | 180.0° |
| H221 | C22 | C21 | H212 | 39.7° | 60.0° |
| H222 | C22 | C21 | C19 | 55.5° | 60.0° |
| H222 | C22 | C21 | H211 | 179.2° | 60.0° |
| H222 | C22 | C21 | H212 | 69.8° | 180.0° |
| C19 | C21 | H211 | H212 | 116.5° | 120.0° |
| C21 | C19 | O20 | N18 | 175.7° | 179.9° |
| C21 | C19 | N18 | C12 | 179.0° | 180.0° |
| C21 | C19 | N18 | H18 | 1.1° | 0.1° |
| H211 | C21 | C19 | O20 | 9.8° | 120.0° |
| H211 | C21 | C19 | N18 | 174.3° | 60.1° |
| H212 | C21 | C19 | O20 | 99.7° | 120.0° |
| H212 | C21 | C19 | N18 | 76.2° | 59.9° |
| O20 | C19 | N18 | C12 | 3.3° | 0.1° |
| O20 | C19 | N18 | H18 | 176.8° | 180.0° |
| C19 | N18 | C12 | H18 | 179.9° | 179.9° |
| C19 | N18 | C12 | C13 | 59.8° | 89.9° |
| C19 | N18 | C12 | C10 | 68.8° | 150.0° |
| C19 | N18 | C12 | H12 | 177.9° | 30.0° |
| N18 | C12 | C13 | C10 | 129.3° | 120.1° |
| N18 | C12 | C13 | H12 | 117.2° | 119.9° |
| N18 | C12 | C10 | H12 | 116.3° | 119.9° |
| N18 | C12 | C13 | C14 | 103.1° | 59.9° |
| N18 | C12 | C13 | H131 | 22.2° | 60.1° |
| N18 | C12 | C13 | H132 | 131.6° | 180.0° |
| N18 | C12 | C10 | O11 | 6.7° | 0.1° |
| N18 | C12 | C10 | N9 | 171.8° | 180.0° |
| H18 | N18 | C12 | C13 | 120.2° | 90.0° |
| H18 | N18 | C12 | C10 | 111.2° | 30.1° |
| H18 | N18 | C12 | H12 | 2.1° | 150.1° |
| C13 | C12 | C10 | H12 | 117.4° | 120.0° |
| C12 | C13 | C14 | H131 | 125.2° | 119.9° |
| C12 | C13 | C14 | H132 | 125.3° | 120.1° |
| C12 | C13 | H131 | H132 | 116.4° | 120.0° |
| C12 | C13 | C14 | C15 | 172.4° | 180.0° |
| C12 | C13 | C14 | H141 | 47.2° | 60.0° |
| C12 | C13 | C14 | H142 | 62.3° | 59.9° |
| C13 | C12 | C10 | O11 | 119.6° | 120.0° |
| C13 | C12 | C10 | N9 | 61.9° | 59.9° |
| C10 | C12 | C13 | C14 | 127.6° | 180.0° |
| C10 | C12 | C13 | H131 | 107.1° | 60.0° |
| C10 | C12 | C13 | H132 | 2.3° | 59.9° |
| C12 | C10 | O11 | N9 | 178.4° | 179.9° |
| C12 | C10 | N9 | C7 | 174.8° | 179.9° |
| C12 | C10 | N9 | HN9 | 5.2° | 0.1° |
| H12 | C12 | C13 | C14 | 14.1° | 60.0° |
| H12 | C12 | C13 | H131 | 139.4° | 180.0° |
| H12 | C12 | C13 | H132 | 111.2° | 60.1° |
| H12 | C12 | C10 | O11 | 122.9° | 120.0° |
| H12 | C12 | C10 | N9 | 55.5° | 60.1° |
| C14 | C13 | H131 | H132 | 116.5° | 120.0° |
| C13 | C14 | C15 | H141 | 125.2° | 119.9° |
| C13 | C14 | C15 | H142 | 125.2° | 120.1° |
| C13 | C14 | H141 | H142 | 117.0° | 120.0° |
| C13 | C14 | C15 | C16 | 147.6° | 180.0° |
| C13 | C14 | C15 | H151 | 22.4° | 60.0° |
| C13 | C14 | C15 | H152 | 87.1° | 59.9° |
| H131 | C13 | C14 | C15 | 62.3° | 60.1° |
| H131 | C13 | C14 | H141 | 172.4° | 180.0° |
| H131 | C13 | C14 | H142 | 62.9° | 60.0° |
| H132 | C13 | C14 | C15 | 47.1° | 59.9° |
| H132 | C13 | C14 | H141 | 78.1° | 60.1° |
| H132 | C13 | C14 | H142 | 172.4° | 180.0° |
| C15 | C14 | H141 | H142 | 117.0° | 120.0° |
| C14 | C15 | C16 | H151 | 125.3° | 120.0° |
| C14 | C15 | C16 | H152 | 125.3° | 120.1° |
| C14 | C15 | H151 | H152 | 116.8° | 120.0° |
| C14 | C15 | C16 | N17 | 37.2° | 180.0° |
| C14 | C15 | C16 | H161 | 88.1° | 60.0° |
| C14 | C15 | C16 | H162 | 162.5° | 60.0° |
| H141 | C14 | C15 | C16 | 87.1° | 60.0° |
| H141 | C14 | C15 | H151 | 147.6° | 180.0° |
| H141 | C14 | C15 | H152 | 38.2° | 60.0° |
| H142 | C14 | C15 | C16 | 22.4° | 59.9° |
| H142 | C14 | C15 | H151 | 102.8° | 60.1° |
| H142 | C14 | C15 | H152 | 147.7° | 180.0° |
| C16 | C15 | H151 | H152 | 116.8° | 119.9° |
| C15 | C16 | N17 | H161 | 125.3° | 120.0° |
| C15 | C16 | N17 | H162 | 125.3° | 120.0° |
| C15 | C16 | H161 | H162 | 116.9° | 119.9° |
| C15 | C16 | N17 | H171 | 179.9° | 180.0° |
| C15 | C16 | N17 | H172 | 54.8° | 66.2° |
| H151 | C15 | C16 | N17 | 162.4° | 60.0° |
| H151 | C15 | C16 | H161 | 37.2° | 180.0° |
| H151 | C15 | C16 | H162 | 72.2° | 60.1° |
| H152 | C15 | C16 | N17 | 88.1° | 59.9° |
| H152 | C15 | C16 | H161 | 146.6° | 60.1° |
| H152 | C15 | C16 | H162 | 37.2° | 179.9° |
| N17 | C16 | H161 | H162 | 116.9° | 120.0° |
| C16 | N17 | H171 | H172 | 125.2° | 113.7° |
| H161 | C16 | N17 | H171 | 54.7° | 60.0° |
| H161 | C16 | N17 | H172 | 70.5° | 173.8° |
| H162 | C16 | N17 | H171 | 54.7° | 60.0° |
| H162 | C16 | N17 | H172 | 179.9° | 53.8° |
| O11 | C10 | N9 | C7 | 3.6° | 0.0° |
| O11 | C10 | N9 | HN9 | 176.3° | 180.0° |
| C10 | N9 | C7 | HN9 | 180.0° | 180.0° |
| C10 | N9 | C7 | C8 | 80.3° | 90.0° |
| C10 | N9 | C7 | C6 | 157.2° | 150.0° |
| C10 | N9 | C7 | HC7 | 34.0° | 30.0° |
| N9 | C7 | C8 | C6 | 120.6° | 120.0° |
| N9 | C7 | C8 | HC7 | 116.4° | 120.0° |
| N9 | C7 | C6 | HC7 | 117.3° | 120.0° |
| N9 | C7 | C8 | O8A | 39.0° | 0.0° |
| N9 | C7 | C8 | HC8 | 140.9° | 180.0° |
| N9 | C7 | C6 | S1 | 114.6° | 60.6° |
| N9 | C7 | C6 | N5 | 1.3° | 60.7° |
| N9 | C7 | C6 | HC6 | 121.4° | 180.0° |
| HN9 | N9 | C7 | C8 | 99.7° | 90.0° |
| HN9 | N9 | C7 | C6 | 22.8° | 30.0° |
| HN9 | N9 | C7 | HC7 | 146.1° | 150.0° |
| C8 | C7 | C6 | HC7 | 114.9° | 120.0° |
| C7 | C8 | O8A | HC8 | 180.0° | 180.0° |
| C8 | C7 | C6 | S1 | 117.6° | 179.4° |
| C8 | C7 | C6 | N5 | 126.4° | 59.3° |
| C8 | C7 | C6 | HC6 | 6.4° | 60.0° |
| C6 | C7 | C8 | O8A | 81.6° | 120.0° |
| C6 | C7 | C8 | HC8 | 98.4° | 60.0° |
| C7 | C6 | S1 | N5 | 122.8° | 120.3° |
| C7 | C6 | S1 | HC6 | 117.3° | 119.4° |
| C7 | C6 | N5 | HC6 | 117.3° | 119.4° |
| C7 | C6 | S1 | C2 | 166.0° | 170.4° |
| C7 | C6 | N5 | C4 | 177.6° | 145.8° |
| HC7 | C7 | C8 | O8A | 155.4° | 120.0° |
| HC7 | C7 | C8 | HC8 | 24.6° | 60.0° |
| HC7 | C7 | C6 | S1 | 2.6° | 59.3° |
| HC7 | C7 | C6 | N5 | 118.6° | 179.4° |
| HC7 | C7 | C6 | HC6 | 121.4° | 60.0° |
| S1 | C6 | N5 | HC6 | 123.9° | 120.3° |
| S1 | C6 | N5 | C4 | 58.9° | 25.5° |
| C6 | S1 | C2 | C3 | 36.3° | 57.9° |
| C6 | S1 | C2 | HC21 | 88.9° | 61.5° |
| C6 | S1 | C2 | HC22 | 161.6° | 177.3° |
| N5 | C6 | S1 | C2 | 71.1° | 50.1° |
| C6 | N5 | C4 | C4A | 177.9° | 179.1° |
| C6 | N5 | C4 | C3 | 1.4° | 0.9° |
| HC6 | C6 | S1 | C2 | 48.8° | 70.2° |
| HC6 | C6 | N5 | C4 | 65.0° | 94.8° |
| S1 | C2 | C3 | C4 | 15.0° | 43.3° |
| S1 | C2 | C3 | C3A | 162.8° | 136.7° |
| S1 | C2 | C3 | HC21 | 125.2° | 119.4° |
| S1 | C2 | C3 | HC22 | 125.2° | 119.4° |
| S1 | C2 | HC21 | HC22 | 117.2° | 121.2° |
| N5 | C4 | C4A | C3 | 179.3° | 180.0° |
| N5 | C4 | C4A | O4B | 149.0° | 173.4° |
| N5 | C4 | C4A | O4A | 29.9° | 6.7° |
| N5 | C4 | C3 | C3A | 134.5° | 168.5° |
| N5 | C4 | C3 | C2 | 43.3° | 11.5° |
| C4 | C4A | O4B | O4A | 178.8° | 180.0° |
| C4 | C4A | O4A | HO4 | 180.0° | 179.9° |
| C4A | C4 | C3 | C3A | 46.1° | 11.5° |
| C4A | C4 | C3 | C2 | 136.1° | 168.5° |
| C3 | C4 | C4A | O4B | 30.3° | 6.6° |
| C3 | C4 | C4A | O4A | 150.8° | 173.4° |
| C4 | C3 | C3A | C2 | 177.8° | 180.0° |
| C4 | C3 | C3A | HC31 | 2.2° | 7.1° |
| C4 | C3 | C3A | HC32 | 180.0° | 172.9° |
| C4 | C3 | C2 | HC21 | 140.2° | 76.1° |
| C4 | C3 | C2 | HC22 | 110.2° | 162.8° |
| O4B | C4A | O4A | HO4 | 1.2° | 0.0° |
| C3 | C3A | HC31 | HC32 | 177.8° | 180.0° |
| C3A | C3 | C2 | HC21 | 37.6° | 103.9° |
| C3A | C3 | C2 | HC22 | 72.0° | 17.3° |
| C2 | C3 | C3A | HC31 | 180.0° | 172.9° |
| C2 | C3 | C3A | HC32 | 2.2° | 7.1° |
| C3 | C2 | HC21 | HC22 | 117.3° | 121.1° |
