A1ALG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | doub | 1.22Å | 1.23Å | |
| C04 | N03 | sing | 1.46Å | 1.51Å | |
| C06 | C05 | sing | 1.53Å | 1.62Å | |
| C07 | C06 | sing | 1.53Å | 1.62Å | |
| C08 | C06 | sing | 1.53Å | 1.60Å | |
| C05 | C04 | sing | 1.53Å | 1.58Å | |
| C09 | C04 | sing | 1.51Å | 1.66Å | |
| C11 | N10 | sing | 1.46Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.62Å | |
| C14 | C13 | sing | 1.51Å | 1.59Å | |
| C16 | N15 | sing | 1.47Å | 1.44Å | |
| C17 | C16 | sing | 1.54Å | 1.67Å | |
| N15 | C14 | sing | 1.34Å | 1.45Å | |
| O18 | C14 | doub | 1.21Å | 1.21Å | |
| C12 | C11 | sing | 1.53Å | 1.56Å | |
| C19 | C11 | sing | 1.51Å | 1.58Å | |
| N20 | C19 | doub | 1.28Å | 1.28Å | |
| N10 | C09 | sing | 1.35Å | 1.45Å | |
| O21 | C09 | doub | 1.21Å | 1.22Å | |
| N03 | C02 | sing | 1.35Å | 1.47Å | |
| C22 | C02 | sing | 1.48Å | 1.61Å | |
| C23 | C22 | doub | 1.40Å | 1.44Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.44Å | Aromatic |
| C25 | C24 | doub | 1.40Å | 1.45Å | Aromatic |
| C27 | C26 | doub | 1.40Å | 1.45Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.43Å | Aromatic |
| C29 | C28 | doub | 1.39Å | 1.44Å | Aromatic |
| C31 | O30 | sing | 1.43Å | 1.45Å | |
| O30 | C29 | sing | 1.36Å | 1.43Å | |
| C32 | C29 | sing | 1.39Å | 1.44Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.44Å | Aromatic |
| C26 | C25 | sing | 1.48Å | 1.60Å | |
| C34 | C25 | sing | 1.40Å | 1.44Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.44Å | Aromatic |
| C13 | C17 | sing | 1.55Å | 1.49Å | |
| C22 | C35 | sing | 1.40Å | 1.43Å | Aromatic |
| C26 | C33 | sing | 1.39Å | 1.44Å | Aromatic |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H073 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H083 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å | |
| N20 | H201 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | N03 | 119.5° | 120.0° |
| O01 | C02 | C22 | 118.9° | 120.0° |
| N03 | C04 | C05 | 109.6° | 109.5° |
| N03 | C04 | C09 | 111.5° | 109.5° |
| C04 | N03 | C02 | 123.6° | 120.0° |
| N03 | C04 | H041 | 107.2° | 109.4° |
| C04 | N03 | H031 | 118.2° | 120.0° |
| C05 | C06 | C07 | 109.5° | 109.4° |
| C05 | C06 | C08 | 111.8° | 109.5° |
| C06 | C05 | C04 | 110.2° | 109.5° |
| C06 | C05 | H052 | 109.3° | 109.5° |
| C06 | C05 | H051 | 109.3° | 109.5° |
| C05 | C06 | H061 | 107.3° | 109.5° |
| C07 | C06 | C08 | 113.1° | 109.5° |
| C07 | C06 | H061 | 107.3° | 109.5° |
| C06 | C07 | H072 | 109.5° | 109.5° |
| C06 | C07 | H073 | 109.5° | 109.4° |
| C06 | C07 | H071 | 109.5° | 109.5° |
| C08 | C06 | H061 | 107.5° | 109.5° |
| C06 | C08 | H081 | 109.5° | 109.5° |
| C06 | C08 | H083 | 109.5° | 109.4° |
| C06 | C08 | H082 | 109.5° | 109.4° |
| C05 | C04 | C09 | 115.7° | 109.5° |
| C05 | C04 | H041 | 106.5° | 109.5° |
| C04 | C05 | H052 | 109.3° | 109.4° |
| C04 | C05 | H051 | 109.3° | 109.4° |
| C04 | C09 | N10 | 120.4° | 120.0° |
| C04 | C09 | O21 | 118.0° | 120.0° |
| C09 | C04 | H041 | 105.7° | 109.4° |
| N10 | C11 | C12 | 111.9° | 109.5° |
| N10 | C11 | C19 | 112.8° | 109.5° |
| C11 | N10 | C09 | 125.6° | 120.0° |
| N10 | C11 | H111 | 107.9° | 109.5° |
| C11 | N10 | H101 | 117.2° | 120.0° |
| C12 | C13 | C14 | 117.3° | 110.5° |
| C13 | C12 | C11 | 109.6° | 109.5° |
| C12 | C13 | C17 | 106.1° | 110.5° |
| C12 | C13 | H131 | 110.6° | 110.4° |
| C13 | C12 | H121 | 109.5° | 109.4° |
| C13 | C12 | H122 | 109.4° | 109.5° |
| C13 | C14 | N15 | 116.7° | 110.1° |
| C13 | C14 | O18 | 117.4° | 125.0° |
| C14 | C13 | C17 | 98.9° | 104.2° |
| C14 | C13 | H131 | 110.9° | 110.6° |
| N15 | C16 | C17 | 107.0° | 105.4° |
| C16 | N15 | C14 | 105.3° | 111.3° |
| N15 | C16 | H161 | 110.1° | 110.2° |
| N15 | C16 | H162 | 110.1° | 110.3° |
| C16 | N15 | H151 | 127.3° | 124.3° |
| C16 | C17 | C13 | 107.5° | 101.8° |
| C16 | C17 | H171 | 109.9° | 111.0° |
| C16 | C17 | H172 | 110.0° | 110.9° |
| C17 | C16 | H161 | 110.1° | 110.2° |
| C17 | C16 | H162 | 110.1° | 110.3° |
| N15 | C14 | O18 | 125.9° | 124.9° |
| C14 | N15 | H151 | 127.4° | 124.4° |
| C12 | C11 | C19 | 109.4° | 109.5° |
| C12 | C11 | H111 | 107.3° | 109.5° |
| C11 | C12 | H121 | 109.4° | 109.4° |
| C11 | C12 | H122 | 109.4° | 109.5° |
| C11 | C19 | N20 | 122.7° | 120.0° |
| C19 | C11 | H111 | 107.2° | 109.4° |
| C11 | C19 | H191 | 118.7° | 120.0° |
| N20 | C19 | H191 | 118.6° | 120.0° |
| C19 | N20 | H201 | 112.0° | 120.0° |
| N10 | C09 | O21 | 121.6° | 120.0° |
| C09 | N10 | H101 | 117.2° | 120.0° |
| N03 | C02 | C22 | 121.6° | 120.0° |
| C02 | N03 | H031 | 118.2° | 120.0° |
| C02 | C22 | C23 | 123.7° | 120.0° |
| C02 | C22 | C35 | 119.3° | 120.0° |
| C22 | C23 | C24 | 120.8° | 120.0° |
| C23 | C22 | C35 | 117.0° | 119.9° |
| C22 | C23 | H231 | 119.6° | 119.9° |
| C23 | C24 | C25 | 122.1° | 120.0° |
| C23 | C24 | H241 | 119.0° | 120.0° |
| C24 | C23 | H231 | 119.6° | 120.0° |
| C24 | C25 | C26 | 122.1° | 120.0° |
| C24 | C25 | C34 | 116.2° | 120.1° |
| C25 | C24 | H241 | 118.9° | 120.0° |
| C26 | C27 | C28 | 121.3° | 119.9° |
| C27 | C26 | C25 | 120.1° | 120.1° |
| C27 | C26 | C33 | 117.2° | 119.8° |
| C26 | C27 | H271 | 119.4° | 120.1° |
| C27 | C28 | C29 | 121.6° | 120.1° |
| C27 | C28 | H281 | 119.2° | 120.0° |
| C28 | C27 | H271 | 119.3° | 120.0° |
| C28 | C29 | O30 | 121.8° | 119.9° |
| C28 | C29 | C32 | 117.2° | 120.2° |
| C29 | C28 | H281 | 119.2° | 120.0° |
| C31 | O30 | C29 | 119.1° | 117.0° |
| O30 | C31 | H313 | 109.5° | 109.5° |
| O30 | C31 | H312 | 109.5° | 109.5° |
| O30 | C31 | H311 | 109.5° | 109.5° |
| O30 | C29 | C32 | 121.0° | 120.0° |
| C29 | C32 | C33 | 121.4° | 120.1° |
| C29 | C32 | H321 | 119.3° | 120.0° |
| C32 | C33 | C26 | 121.3° | 119.9° |
| C33 | C32 | H321 | 119.3° | 119.9° |
| C32 | C33 | H331 | 119.3° | 120.1° |
| C26 | C25 | C34 | 121.6° | 120.0° |
| C25 | C26 | C33 | 122.7° | 120.1° |
| C25 | C34 | C35 | 121.6° | 120.0° |
| C25 | C34 | H341 | 119.2° | 120.0° |
| C34 | C35 | C22 | 122.4° | 120.0° |
| C35 | C34 | H341 | 119.2° | 120.0° |
| C34 | C35 | H351 | 118.8° | 120.0° |
| C17 | C13 | H131 | 112.5° | 110.5° |
| C13 | C17 | H171 | 109.9° | 111.0° |
| C13 | C17 | H172 | 110.0° | 111.0° |
| C22 | C35 | H351 | 118.8° | 120.0° |
| C26 | C33 | H331 | 119.3° | 120.0° |
| H171 | C17 | H172 | 109.5° | 110.8° |
| H052 | C05 | H051 | 109.5° | 109.5° |
| H072 | C07 | H073 | 109.5° | 109.5° |
| H072 | C07 | H071 | 109.5° | 109.5° |
| H073 | C07 | H071 | 109.5° | 109.4° |
| H081 | C08 | H083 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H083 | C08 | H082 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 110.3° |
| H313 | C31 | H312 | 109.5° | 109.5° |
| H313 | C31 | H311 | 109.5° | 109.4° |
| H312 | C31 | H311 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | N03 | C04 | 0.5° | 0.0° |
| O01 | C02 | N03 | C22 | 177.2° | 180.0° |
| O01 | C02 | C22 | C23 | 42.2° | 179.8° |
| O01 | C02 | C22 | C35 | 135.4° | 0.0° |
| O01 | C02 | N03 | H031 | 179.5° | 180.0° |
| N03 | C04 | C05 | C06 | 58.3° | 65.0° |
| N03 | C04 | C05 | C09 | 127.1° | 120.0° |
| N03 | C04 | C05 | H041 | 115.7° | 120.0° |
| N03 | C04 | C09 | H041 | 116.2° | 119.9° |
| N03 | C04 | C09 | N10 | 134.4° | 180.0° |
| N03 | C04 | C09 | O21 | 44.1° | 0.1° |
| C04 | N03 | C02 | H031 | 180.0° | 180.0° |
| C04 | N03 | C02 | C22 | 177.7° | 179.9° |
| N03 | C04 | C05 | H052 | 178.4° | 55.0° |
| N03 | C04 | C05 | H051 | 61.8° | 175.0° |
| C05 | C06 | C07 | C08 | 125.4° | 120.0° |
| C05 | C06 | C07 | H061 | 116.2° | 120.0° |
| C05 | C06 | C08 | H061 | 117.5° | 120.0° |
| C06 | C05 | C04 | H052 | 120.1° | 120.0° |
| C06 | C05 | C04 | H051 | 120.1° | 120.0° |
| C06 | C05 | C04 | C09 | 174.6° | 175.0° |
| C06 | C05 | C04 | H041 | 57.5° | 55.0° |
| C06 | C05 | H052 | H051 | 119.7° | 120.1° |
| C05 | C06 | C07 | H072 | 180.0° | 60.0° |
| C05 | C06 | C07 | H073 | 60.0° | 180.0° |
| C05 | C06 | C07 | H071 | 60.0° | 60.0° |
| C05 | C06 | C08 | H081 | 180.0° | 60.0° |
| C05 | C06 | C08 | H083 | 60.0° | 180.0° |
| C05 | C06 | C08 | H082 | 60.0° | 60.0° |
| C07 | C06 | C08 | H061 | 118.3° | 120.0° |
| C07 | C06 | C05 | C04 | 45.7° | 175.0° |
| C07 | C06 | C05 | H052 | 74.4° | 55.0° |
| C07 | C06 | C05 | H051 | 165.8° | 65.0° |
| C06 | C07 | H072 | H073 | 120.0° | 119.9° |
| C06 | C07 | H072 | H071 | 120.0° | 120.1° |
| C06 | C07 | H073 | H071 | 120.0° | 120.0° |
| C07 | C06 | C08 | H081 | 55.8° | 180.0° |
| C07 | C06 | C08 | H083 | 175.8° | 60.0° |
| C07 | C06 | C08 | H082 | 64.2° | 60.0° |
| C08 | C06 | C05 | C04 | 171.9° | 65.0° |
| C08 | C06 | C05 | H052 | 51.8° | 175.1° |
| C08 | C06 | C05 | H051 | 68.0° | 55.0° |
| C08 | C06 | C07 | H072 | 54.6° | 59.9° |
| C08 | C06 | C07 | H073 | 65.4° | 60.0° |
| C08 | C06 | C07 | H071 | 174.6° | 180.0° |
| C06 | C08 | H081 | H083 | 120.0° | 120.0° |
| C06 | C08 | H081 | H082 | 120.0° | 120.0° |
| C06 | C08 | H083 | H082 | 120.0° | 119.9° |
| C05 | C04 | C09 | H041 | 117.6° | 120.0° |
| C05 | C04 | C09 | N10 | 99.4° | 60.0° |
| C05 | C04 | C09 | O21 | 82.1° | 120.0° |
| C05 | C04 | N03 | C02 | 175.7° | 85.0° |
| C04 | C05 | H052 | H051 | 119.7° | 119.9° |
| C04 | C05 | C06 | H061 | 70.5° | 55.0° |
| C05 | C04 | N03 | H031 | 4.4° | 95.0° |
| C04 | C09 | N10 | C11 | 179.9° | 180.0° |
| C04 | C09 | N10 | O21 | 178.4° | 179.9° |
| C09 | C04 | N03 | C02 | 46.2° | 155.0° |
| C09 | C04 | C05 | H052 | 54.5° | 65.0° |
| C09 | C04 | C05 | H051 | 65.3° | 55.0° |
| C09 | C04 | N03 | H031 | 133.8° | 25.0° |
| C04 | C09 | N10 | H101 | 0.0° | 0.0° |
| N10 | C11 | C12 | C13 | 65.5° | 64.8° |
| N10 | C11 | C12 | C19 | 125.9° | 120.0° |
| N10 | C11 | C12 | H111 | 118.2° | 120.0° |
| N10 | C11 | C19 | H111 | 118.6° | 120.0° |
| N10 | C11 | C19 | N20 | 127.4° | 0.0° |
| C11 | N10 | C09 | H101 | 180.0° | 180.0° |
| C11 | N10 | C09 | O21 | 1.5° | 0.0° |
| N10 | C11 | C12 | H121 | 174.5° | 175.2° |
| N10 | C11 | C12 | H122 | 54.6° | 55.2° |
| N10 | C11 | C19 | H191 | 52.6° | 180.0° |
| C12 | C13 | C14 | C17 | 113.4° | 118.7° |
| C12 | C13 | C14 | H131 | 128.3° | 122.5° |
| C12 | C13 | C17 | C16 | 141.3° | 143.5° |
| C12 | C13 | C14 | N15 | 127.1° | 135.0° |
| C12 | C13 | C14 | O18 | 53.2° | 45.1° |
| C13 | C12 | C11 | H121 | 120.0° | 119.9° |
| C13 | C12 | C11 | H122 | 120.0° | 120.1° |
| C13 | C12 | C11 | C19 | 168.7° | 175.2° |
| C12 | C13 | C17 | H131 | 121.0° | 122.5° |
| C12 | C13 | C17 | H171 | 99.1° | 25.4° |
| C12 | C13 | C17 | H172 | 21.6° | 98.4° |
| C13 | C12 | C11 | H111 | 52.7° | 55.2° |
| C13 | C12 | H121 | H122 | 120.0° | 120.0° |
| C13 | C14 | N15 | C16 | 0.3° | 0.5° |
| C14 | C13 | C17 | C16 | 19.4° | 24.8° |
| C13 | C14 | N15 | O18 | 179.6° | 180.0° |
| C14 | C13 | C12 | C11 | 178.9° | 179.9° |
| C14 | C13 | C17 | H131 | 117.1° | 118.8° |
| C14 | C13 | C17 | H171 | 139.0° | 93.4° |
| C14 | C13 | C17 | H172 | 100.3° | 142.9° |
| C14 | C13 | C12 | H121 | 58.9° | 59.9° |
| C14 | C13 | C12 | H122 | 61.1° | 60.1° |
| C13 | C14 | N15 | H151 | 179.7° | 179.6° |
| N15 | C16 | C17 | H161 | 119.6° | 119.0° |
| N15 | C16 | C17 | H162 | 119.6° | 119.0° |
| C16 | N15 | C14 | H151 | 180.0° | 179.9° |
| C16 | N15 | C14 | O18 | 179.9° | 179.5° |
| N15 | C16 | C17 | C13 | 21.8° | 25.4° |
| N15 | C16 | C17 | H171 | 141.5° | 92.7° |
| N15 | C16 | C17 | H172 | 97.9° | 143.6° |
| N15 | C16 | H161 | H162 | 121.2° | 122.0° |
| C17 | C16 | N15 | C14 | 12.2° | 17.1° |
| C16 | C17 | C13 | H171 | 119.7° | 118.2° |
| C16 | C17 | C13 | H172 | 119.7° | 118.1° |
| C16 | C17 | C13 | H131 | 97.7° | 94.0° |
| C16 | C17 | H171 | H172 | 120.9° | 123.8° |
| C17 | C16 | H161 | H162 | 121.1° | 122.0° |
| C17 | C16 | N15 | H151 | 167.8° | 163.0° |
| N15 | C14 | C13 | C17 | 13.7° | 16.2° |
| N15 | C14 | C13 | H131 | 104.6° | 102.5° |
| C14 | N15 | C16 | H161 | 107.4° | 136.0° |
| C14 | N15 | C16 | H162 | 131.8° | 102.0° |
| O18 | C14 | C13 | C17 | 166.7° | 163.8° |
| O18 | C14 | C13 | H131 | 75.1° | 77.5° |
| O18 | C14 | N15 | H151 | 0.1° | 0.4° |
| C12 | C11 | C19 | H111 | 116.1° | 120.0° |
| C12 | C11 | C19 | N20 | 107.3° | 120.0° |
| C12 | C11 | N10 | C09 | 108.7° | 153.3° |
| C11 | C12 | C13 | C17 | 69.6° | 65.0° |
| C11 | C12 | C13 | H131 | 52.6° | 57.5° |
| C11 | C12 | H121 | H122 | 119.9° | 120.0° |
| C12 | C11 | C19 | H191 | 72.7° | 60.0° |
| C12 | C11 | N10 | H101 | 71.3° | 26.7° |
| C11 | C19 | N20 | H191 | 180.0° | 180.0° |
| C19 | C11 | N10 | C09 | 127.4° | 86.7° |
| C19 | C11 | C12 | H121 | 48.7° | 55.2° |
| C19 | C11 | C12 | H122 | 71.3° | 64.8° |
| C19 | C11 | N10 | H101 | 52.6° | 93.3° |
| C11 | C19 | N20 | H201 | 180.0° | 180.0° |
| N20 | C19 | C11 | H111 | 8.8° | 120.0° |
| N10 | C09 | C04 | H041 | 18.2° | 60.0° |
| C09 | N10 | C11 | H111 | 9.2° | 33.3° |
| O21 | C09 | C04 | H041 | 160.3° | 120.0° |
| O21 | C09 | N10 | H101 | 178.5° | 179.9° |
| N03 | C02 | C22 | C23 | 140.6° | 0.2° |
| N03 | C02 | C22 | C35 | 41.8° | 180.0° |
| C02 | N03 | C04 | H041 | 69.0° | 35.1° |
| C02 | C22 | C23 | C35 | 177.7° | 179.8° |
| C02 | C22 | C23 | C24 | 178.6° | 180.0° |
| C02 | C22 | C35 | C34 | 178.9° | 180.0° |
| C02 | C22 | C23 | H231 | 1.4° | 0.1° |
| C02 | C22 | C35 | H351 | 1.1° | 0.0° |
| C22 | C02 | N03 | H031 | 2.3° | 0.0° |
| C22 | C23 | C24 | H231 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.4° | 0.0° |
| C23 | C22 | C35 | C34 | 1.1° | 0.2° |
| C22 | C23 | C24 | H241 | 179.6° | 180.0° |
| C23 | C22 | C35 | H351 | 178.9° | 179.8° |
| C23 | C24 | C25 | H241 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 179.8° | 180.0° |
| C23 | C24 | C25 | C34 | 0.0° | 0.2° |
| C24 | C23 | C22 | C35 | 0.9° | 0.2° |
| C24 | C25 | C26 | C27 | 139.8° | 0.3° |
| C24 | C25 | C26 | C34 | 179.8° | 179.8° |
| C24 | C25 | C34 | C35 | 0.1° | 0.2° |
| C24 | C25 | C26 | C33 | 41.4° | 180.0° |
| C25 | C24 | C23 | H231 | 179.6° | 180.0° |
| C24 | C25 | C34 | H341 | 179.9° | 179.8° |
| C26 | C27 | C28 | H271 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 0.6° | 0.1° |
| C27 | C26 | C33 | C32 | 1.2° | 0.3° |
| C27 | C26 | C25 | C33 | 178.9° | 179.7° |
| C27 | C26 | C25 | C34 | 40.4° | 179.5° |
| C26 | C27 | C28 | H281 | 179.4° | 180.0° |
| C27 | C26 | C33 | H331 | 178.8° | 179.7° |
| C27 | C28 | C29 | H281 | 180.0° | 180.0° |
| C27 | C28 | C29 | O30 | 179.9° | 179.9° |
| C27 | C28 | C29 | C32 | 0.5° | 0.3° |
| C28 | C27 | C26 | C25 | 179.9° | 180.0° |
| C28 | C27 | C26 | C33 | 1.0° | 0.2° |
| C28 | C29 | O30 | C31 | 175.1° | 180.0° |
| C28 | C29 | O30 | C32 | 179.7° | 179.8° |
| C28 | C29 | C32 | C33 | 0.7° | 0.3° |
| C29 | C28 | C27 | H271 | 179.4° | 180.0° |
| C28 | C29 | C32 | H321 | 179.3° | 180.0° |
| C31 | O30 | C29 | C32 | 4.5° | 0.3° |
| O30 | C31 | H313 | H312 | 120.0° | 120.1° |
| O30 | C31 | H313 | H311 | 120.0° | 120.0° |
| O30 | C31 | H312 | H311 | 120.0° | 120.0° |
| O30 | C29 | C32 | C33 | 179.6° | 180.0° |
| O30 | C29 | C28 | H281 | 0.1° | 0.0° |
| C29 | O30 | C31 | H313 | 180.0° | 60.0° |
| C29 | O30 | C31 | H312 | 60.0° | 60.0° |
| C29 | O30 | C31 | H311 | 60.0° | 180.0° |
| O30 | C29 | C32 | H321 | 0.4° | 0.3° |
| C29 | C32 | C33 | H321 | 180.0° | 179.7° |
| C29 | C32 | C33 | C26 | 1.1° | 0.0° |
| C32 | C29 | C28 | H281 | 179.5° | 179.7° |
| C29 | C32 | C33 | H331 | 178.9° | 180.0° |
| C32 | C33 | C26 | C25 | 179.9° | 180.0° |
| C32 | C33 | C26 | H331 | 180.0° | 180.0° |
| C26 | C25 | C34 | C35 | 179.6° | 180.0° |
| C26 | C25 | C24 | H241 | 0.2° | 0.0° |
| C25 | C26 | C27 | H271 | 0.1° | 0.0° |
| C25 | C26 | C33 | H331 | 0.1° | 0.0° |
| C26 | C25 | C34 | H341 | 0.3° | 0.0° |
| C25 | C34 | C35 | H341 | 180.0° | 180.0° |
| C25 | C34 | C35 | C22 | 0.7° | 0.0° |
| C34 | C25 | C26 | C33 | 138.4° | 0.2° |
| C34 | C25 | C24 | H241 | 180.0° | 179.8° |
| C25 | C34 | C35 | H351 | 179.3° | 180.0° |
| C34 | C35 | C22 | H351 | 180.0° | 180.0° |
| C13 | C17 | H171 | H172 | 120.9° | 123.8° |
| C17 | C13 | C12 | H121 | 50.4° | 54.9° |
| C17 | C13 | C12 | H122 | 170.4° | 174.9° |
| C13 | C17 | C16 | H161 | 97.8° | 144.4° |
| C13 | C17 | C16 | H162 | 141.4° | 93.6° |
| C35 | C22 | C23 | H231 | 179.1° | 179.7° |
| C22 | C35 | C34 | H341 | 179.3° | 180.0° |
| C33 | C26 | C27 | H271 | 179.0° | 179.7° |
| C26 | C33 | C32 | H321 | 178.9° | 179.7° |
| H131 | C13 | C17 | H171 | 22.0° | 147.8° |
| H131 | C13 | C17 | H172 | 142.6° | 24.1° |
| H131 | C13 | C12 | H121 | 172.6° | 177.4° |
| H131 | C13 | C12 | H122 | 67.4° | 62.6° |
| H171 | C17 | C16 | H161 | 21.9° | 26.2° |
| H171 | C17 | C16 | H162 | 98.9° | 148.3° |
| H172 | C17 | C16 | H161 | 142.5° | 97.5° |
| H172 | C17 | C16 | H162 | 21.7° | 24.6° |
| H241 | C24 | C23 | H231 | 0.4° | 0.0° |
| H281 | C28 | C27 | H271 | 0.6° | 0.0° |
| H041 | C04 | C05 | H052 | 62.6° | 175.0° |
| H041 | C04 | C05 | H051 | 177.6° | 65.0° |
| H041 | C04 | N03 | H031 | 110.9° | 145.0° |
| H052 | C05 | C06 | H061 | 169.5° | 64.9° |
| H051 | C05 | C06 | H061 | 49.7° | 175.0° |
| H061 | C06 | C07 | H072 | 63.8° | 180.0° |
| H061 | C06 | C07 | H073 | 176.2° | 60.0° |
| H061 | C06 | C07 | H071 | 56.2° | 59.9° |
| H061 | C06 | C08 | H081 | 62.5° | 60.0° |
| H061 | C06 | C08 | H083 | 57.5° | 60.0° |
| H061 | C06 | C08 | H082 | 177.5° | 180.0° |
| H072 | C07 | H073 | H071 | 120.0° | 120.0° |
| H081 | C08 | H083 | H082 | 120.0° | 120.0° |
| H111 | C11 | C12 | H121 | 67.3° | 64.7° |
| H111 | C11 | C12 | H122 | 172.7° | 175.3° |
| H111 | C11 | C19 | H191 | 171.2° | 60.0° |
| H111 | C11 | N10 | H101 | 170.8° | 146.8° |
| H161 | C16 | N15 | H151 | 72.5° | 44.1° |
| H162 | C16 | N15 | H151 | 48.2° | 77.9° |
| H191 | C19 | N20 | H201 | 0.1° | 0.1° |
| H313 | C31 | H312 | H311 | 120.0° | 119.9° |
| H321 | C32 | C33 | H331 | 1.1° | 0.3° |
| H341 | C34 | C35 | H351 | 0.7° | 0.0° |
