A1CCU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.53Å | 1.51Å | |
| C03 | C02 | sing | 1.53Å | 1.55Å | |
| O04 | C03 | sing | 1.43Å | 1.45Å | |
| C05 | C03 | sing | 1.53Å | 1.48Å | |
| O06 | C05 | sing | 1.43Å | 1.48Å | |
| C07 | C05 | sing | 1.53Å | 1.47Å | |
| F08 | C07 | sing | 1.40Å | 1.40Å | |
| C09 | C07 | sing | 1.53Å | 1.54Å | |
| P11 | O10 | sing | 1.61Å | 1.66Å | |
| O12 | P11 | sing | 1.61Å | 1.50Å | |
| P14 | O13 | sing | 1.61Å | 1.66Å | |
| O15 | P14 | sing | 1.61Å | 1.51Å | |
| C17 | O16 | sing | 1.43Å | 1.44Å | |
| C18 | C17 | sing | 1.53Å | 1.40Å | |
| C19 | C18 | sing | 1.54Å | 1.58Å | |
| O20 | C19 | sing | 1.43Å | 1.51Å | |
| C21 | C19 | sing | 1.55Å | 1.24Å | |
| O22 | C21 | sing | 1.43Å | 1.47Å | |
| C23 | C21 | sing | 1.55Å | 1.66Å | |
| C25 | N24 | sing | 1.36Å | 1.34Å | Aromatic |
| N26 | C25 | doub | 1.30Å | 1.39Å | Aromatic |
| C27 | N26 | sing | 1.35Å | 1.34Å | Aromatic |
| C28 | C27 | doub | 1.40Å | 1.37Å | Aromatic |
| N29 | C28 | sing | 1.34Å | 1.49Å | |
| C30 | N29 | doub | 1.31Å | 1.47Å | |
| N31 | C30 | sing | 1.37Å | 1.48Å | |
| N32 | C30 | sing | 1.36Å | 1.45Å | |
| C33 | N32 | sing | 1.35Å | 1.43Å | |
| O34 | C33 | doub | 1.22Å | 1.21Å | |
| N24 | C23 | sing | 1.47Å | 1.46Å | |
| O35 | C23 | sing | 1.44Å | 1.30Å | |
| O16 | P14 | sing | 1.61Å | 1.69Å | |
| O36 | P14 | doub | 1.48Å | 1.50Å | |
| O13 | P11 | sing | 1.61Å | 1.66Å | |
| O37 | P11 | doub | 1.48Å | 1.53Å | |
| O10 | C09 | sing | 1.43Å | 1.37Å | |
| O38 | C09 | sing | 1.43Å | 1.48Å | |
| C02 | O38 | sing | 1.43Å | 1.46Å | |
| C18 | O35 | sing | 1.44Å | 1.53Å | |
| N24 | C28 | sing | 1.37Å | 1.36Å | Aromatic |
| C27 | C33 | sing | 1.41Å | 1.54Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| N31 | H311 | sing | 0.97Å | 1.00Å | |
| N31 | H312 | sing | 0.97Å | 1.00Å | |
| N32 | H321 | sing | 0.97Å | 1.00Å | |
| O04 | H041 | sing | 0.97Å | 0.95Å | |
| O06 | H061 | sing | 0.97Å | 0.95Å | |
| O12 | H1 | sing | 0.97Å | 0.95Å | |
| O15 | H2 | sing | 0.97Å | 0.95Å | |
| O20 | H201 | sing | 0.97Å | 0.95Å | |
| O22 | H221 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 108.5° | 109.4° |
| C01 | C02 | O38 | 109.1° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.4° |
| C01 | C02 | H021 | 108.6° | 109.5° |
| C02 | C03 | O04 | 108.8° | 109.5° |
| C02 | C03 | C05 | 113.7° | 109.1° |
| C03 | C02 | O38 | 113.2° | 109.4° |
| C03 | C02 | H021 | 108.1° | 109.5° |
| C02 | C03 | H031 | 108.2° | 109.5° |
| O04 | C03 | C05 | 107.4° | 109.6° |
| O04 | C03 | H031 | 109.5° | 109.5° |
| C03 | O04 | H041 | 109.5° | 114.0° |
| C03 | C05 | O06 | 108.6° | 109.5° |
| C03 | C05 | C07 | 112.2° | 109.1° |
| C05 | C03 | H031 | 109.1° | 109.5° |
| C03 | C05 | H051 | 109.0° | 109.5° |
| O06 | C05 | C07 | 108.8° | 109.6° |
| O06 | C05 | H051 | 109.0° | 109.5° |
| C05 | O06 | H061 | 109.5° | 114.0° |
| C05 | C07 | F08 | 108.9° | 109.5° |
| C05 | C07 | C09 | 111.7° | 109.2° |
| C07 | C05 | H051 | 109.2° | 109.5° |
| C05 | C07 | H071 | 109.1° | 109.5° |
| F08 | C07 | C09 | 109.1° | 109.6° |
| F08 | C07 | H071 | 110.0° | 109.5° |
| C07 | C09 | O10 | 109.1° | 109.5° |
| C07 | C09 | O38 | 110.2° | 109.4° |
| C09 | C07 | H071 | 108.1° | 109.5° |
| C07 | C09 | H091 | 107.5° | 109.4° |
| O10 | P11 | O12 | 109.2° | 109.4° |
| O10 | P11 | O13 | 110.9° | 109.5° |
| O10 | P11 | O37 | 108.4° | 109.4° |
| P11 | O10 | C09 | 121.5° | 123.1° |
| O12 | P11 | O13 | 109.9° | 109.5° |
| O12 | P11 | O37 | 109.7° | 109.4° |
| P11 | O12 | H1 | 109.5° | 114.0° |
| O13 | P14 | O15 | 110.8° | 109.5° |
| O13 | P14 | O16 | 109.1° | 109.5° |
| O13 | P14 | O36 | 109.8° | 109.5° |
| P14 | O13 | P11 | 124.7° | 134.0° |
| O15 | P14 | O16 | 109.6° | 109.5° |
| O15 | P14 | O36 | 108.7° | 109.5° |
| P14 | O15 | H2 | 109.5° | 114.0° |
| O16 | C17 | C18 | 109.1° | 109.5° |
| C17 | O16 | P14 | 117.9° | 123.0° |
| O16 | C17 | H171 | 109.6° | 109.5° |
| O16 | C17 | H172 | 109.6° | 109.5° |
| C17 | C18 | C19 | 113.9° | 109.9° |
| C17 | C18 | O35 | 109.2° | 109.9° |
| C18 | C17 | H171 | 109.6° | 109.5° |
| C18 | C17 | H172 | 109.5° | 109.4° |
| C17 | C18 | H181 | 112.1° | 109.8° |
| C18 | C19 | O20 | 109.4° | 110.5° |
| C18 | C19 | C21 | 103.1° | 104.2° |
| C19 | C18 | O35 | 101.7° | 107.3° |
| C19 | C18 | H181 | 109.4° | 110.0° |
| C18 | C19 | H191 | 109.0° | 110.5° |
| O20 | C19 | C21 | 110.8° | 110.5° |
| O20 | C19 | H191 | 109.8° | 110.5° |
| C19 | O20 | H201 | 109.5° | 114.0° |
| C19 | C21 | O22 | 110.8° | 110.9° |
| C19 | C21 | C23 | 103.2° | 102.1° |
| C19 | C21 | H211 | 114.3° | 110.9° |
| C21 | C19 | H191 | 114.5° | 110.5° |
| O22 | C21 | C23 | 109.9° | 110.9° |
| O22 | C21 | H211 | 110.3° | 110.8° |
| C21 | O22 | H221 | 109.5° | 114.0° |
| C21 | C23 | N24 | 114.3° | 110.6° |
| C21 | C23 | O35 | 107.8° | 103.5° |
| C23 | C21 | H211 | 107.9° | 110.9° |
| C21 | C23 | H231 | 106.7° | 110.6° |
| N24 | C25 | N26 | 107.7° | 109.8° |
| C25 | N24 | C23 | 128.8° | 126.2° |
| C25 | N24 | C28 | 108.1° | 107.5° |
| N24 | C25 | H251 | 126.2° | 125.1° |
| C25 | N26 | C27 | 108.0° | 109.3° |
| N26 | C25 | H251 | 126.1° | 125.1° |
| N26 | C27 | C28 | 107.8° | 107.3° |
| N26 | C27 | C33 | 132.6° | 134.1° |
| C27 | C28 | N29 | 120.7° | 119.8° |
| C27 | C28 | N24 | 108.4° | 106.0° |
| C28 | C27 | C33 | 119.6° | 118.6° |
| C28 | N29 | C30 | 119.9° | 121.1° |
| N29 | C28 | N24 | 130.9° | 134.2° |
| N29 | C30 | N31 | 119.8° | 119.1° |
| N29 | C30 | N32 | 119.6° | 121.9° |
| N31 | C30 | N32 | 120.6° | 119.1° |
| C30 | N31 | H311 | 120.0° | 120.0° |
| C30 | N31 | H312 | 120.0° | 120.0° |
| C30 | N32 | C33 | 120.1° | 120.4° |
| C30 | N32 | H321 | 120.0° | 119.8° |
| N32 | C33 | O34 | 119.8° | 120.8° |
| N32 | C33 | C27 | 120.1° | 118.3° |
| C33 | N32 | H321 | 119.9° | 119.8° |
| O34 | C33 | C27 | 120.2° | 120.9° |
| N24 | C23 | O35 | 107.3° | 110.8° |
| C23 | N24 | C28 | 123.1° | 126.2° |
| N24 | C23 | H231 | 109.1° | 110.6° |
| C23 | O35 | C18 | 105.7° | 107.0° |
| O35 | C23 | H231 | 111.6° | 110.7° |
| O16 | P14 | O36 | 108.9° | 109.5° |
| O13 | P11 | O37 | 108.8° | 109.5° |
| O10 | C09 | O38 | 111.8° | 109.5° |
| O10 | C09 | H091 | 109.9° | 109.5° |
| C09 | O38 | C02 | 110.3° | 114.1° |
| O38 | C09 | H091 | 108.3° | 109.5° |
| O38 | C02 | H021 | 109.2° | 109.5° |
| O35 | C18 | H181 | 110.0° | 109.9° |
| H171 | C17 | H172 | 109.5° | 109.4° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.4° |
| H311 | N31 | H312 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | O38 | 121.3° | 119.9° |
| C01 | C02 | C03 | H021 | 117.6° | 120.0° |
| C01 | C02 | C03 | O04 | 49.7° | 57.6° |
| C01 | C02 | C03 | C05 | 169.4° | 177.6° |
| C01 | C02 | O38 | C09 | 174.5° | 178.9° |
| C01 | C02 | O38 | H021 | 118.6° | 120.0° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 69.2° | 62.5° |
| C02 | C03 | O04 | C05 | 123.5° | 119.7° |
| C02 | C03 | O04 | H031 | 118.1° | 120.2° |
| C02 | C03 | C05 | H031 | 120.9° | 119.9° |
| C02 | C03 | C05 | O06 | 167.3° | 177.0° |
| C02 | C03 | C05 | C07 | 47.0° | 57.0° |
| C03 | C02 | O38 | C09 | 53.6° | 61.2° |
| C03 | C02 | O38 | H021 | 120.5° | 120.0° |
| C03 | C02 | C01 | H012 | 180.0° | 60.0° |
| C03 | C02 | C01 | H011 | 60.0° | 60.1° |
| C03 | C02 | C01 | H013 | 60.0° | 180.0° |
| C02 | C03 | C05 | H051 | 74.0° | 62.9° |
| C02 | C03 | O04 | H041 | 180.0° | 60.0° |
| O04 | C03 | C05 | H031 | 118.6° | 120.2° |
| O04 | C03 | C05 | O06 | 46.9° | 57.0° |
| O04 | C03 | C05 | C07 | 73.4° | 62.9° |
| O04 | C03 | C02 | O38 | 71.6° | 62.3° |
| O04 | C03 | C02 | H021 | 167.3° | 177.6° |
| O04 | C03 | C05 | H051 | 165.5° | 177.2° |
| C03 | C05 | O06 | C07 | 122.4° | 119.7° |
| C03 | C05 | O06 | H051 | 118.7° | 120.2° |
| C03 | C05 | C07 | H051 | 121.0° | 119.9° |
| C03 | C05 | C07 | F08 | 173.2° | 177.0° |
| C03 | C05 | C07 | C09 | 52.6° | 57.0° |
| C05 | C03 | C02 | O38 | 48.1° | 57.6° |
| C05 | C03 | C02 | H021 | 73.0° | 62.4° |
| C03 | C05 | C07 | H071 | 66.8° | 62.9° |
| C05 | C03 | O04 | H041 | 56.5° | 179.7° |
| C03 | C05 | O06 | H061 | 180.0° | 180.0° |
| O06 | C05 | C07 | H051 | 118.8° | 120.2° |
| O06 | C05 | C07 | F08 | 66.6° | 63.1° |
| O06 | C05 | C07 | C09 | 172.8° | 176.9° |
| O06 | C05 | C03 | H031 | 71.7° | 63.1° |
| O06 | C05 | C07 | H071 | 53.4° | 57.0° |
| C05 | C07 | F08 | C09 | 122.1° | 119.7° |
| C05 | C07 | F08 | H071 | 119.5° | 120.1° |
| C05 | C07 | C09 | H071 | 119.9° | 119.9° |
| C05 | C07 | C09 | O10 | 178.0° | 177.6° |
| C05 | C07 | C09 | O38 | 58.9° | 57.6° |
| C07 | C05 | C03 | H031 | 167.9° | 176.9° |
| C05 | C07 | C09 | H091 | 58.9° | 62.4° |
| C07 | C05 | O06 | H061 | 57.6° | 60.4° |
| F08 | C07 | C09 | H071 | 119.6° | 120.2° |
| F08 | C07 | C09 | O10 | 57.5° | 62.5° |
| F08 | C07 | C09 | O38 | 179.4° | 177.5° |
| F08 | C07 | C05 | H051 | 52.2° | 57.1° |
| F08 | C07 | C09 | H091 | 61.6° | 57.6° |
| C07 | C09 | O10 | P11 | 143.8° | 150.0° |
| C07 | C09 | O10 | O38 | 122.2° | 120.0° |
| C07 | C09 | O10 | H091 | 117.6° | 120.0° |
| C07 | C09 | O38 | H091 | 117.3° | 119.9° |
| C07 | C09 | O38 | C02 | 58.7° | 61.2° |
| C09 | C07 | C05 | H051 | 68.4° | 62.9° |
| O10 | P11 | O12 | O13 | 121.8° | 120.1° |
| O10 | P11 | O12 | O37 | 118.6° | 119.9° |
| O10 | P11 | O13 | P14 | 152.7° | 165.0° |
| O10 | P11 | O13 | O37 | 119.1° | 120.0° |
| P11 | O10 | C09 | O38 | 21.6° | 90.0° |
| P11 | O10 | C09 | H091 | 98.6° | 30.0° |
| O10 | P11 | O12 | H1 | 118.6° | 60.1° |
| O12 | P11 | O13 | P14 | 31.8° | 75.0° |
| O12 | P11 | O13 | O37 | 120.1° | 120.0° |
| O12 | P11 | O10 | C09 | 60.2° | 65.0° |
| O13 | P14 | O15 | O16 | 120.4° | 120.0° |
| O13 | P14 | O15 | O36 | 120.7° | 120.0° |
| O13 | P14 | O16 | C17 | 69.7° | 175.0° |
| O13 | P14 | O16 | O36 | 119.8° | 120.0° |
| P14 | O13 | P11 | O37 | 88.3° | 45.0° |
| O13 | P14 | O15 | H2 | 120.7° | 60.0° |
| O15 | P14 | O16 | C17 | 168.8° | 65.0° |
| O15 | P14 | O16 | O36 | 118.7° | 120.0° |
| O15 | P14 | O13 | P11 | 37.6° | 80.0° |
| O16 | C17 | C18 | H171 | 119.9° | 120.1° |
| O16 | C17 | C18 | H172 | 119.9° | 120.0° |
| O16 | C17 | C18 | C19 | 45.8° | 175.7° |
| C17 | O16 | P14 | O36 | 50.0° | 55.0° |
| O16 | C17 | C18 | O35 | 158.7° | 66.5° |
| O16 | C17 | H171 | H172 | 120.2° | 120.0° |
| O16 | C17 | C18 | H181 | 79.1° | 54.6° |
| C17 | C18 | C19 | O35 | 117.3° | 119.4° |
| C17 | C18 | C19 | H181 | 126.4° | 121.0° |
| C17 | C18 | C19 | O20 | 167.2° | 119.8° |
| C17 | C18 | C19 | C21 | 74.9° | 121.5° |
| C17 | C18 | O35 | C23 | 97.9° | 146.0° |
| C18 | C17 | O16 | P14 | 159.5° | 180.0° |
| C17 | C18 | O35 | H181 | 123.5° | 121.0° |
| C18 | C17 | H171 | H172 | 120.2° | 119.9° |
| C17 | C18 | C19 | H191 | 47.1° | 2.8° |
| C18 | C19 | O20 | C21 | 113.0° | 114.8° |
| C18 | C19 | O20 | H191 | 119.5° | 122.6° |
| C18 | C19 | C21 | H191 | 118.2° | 118.7° |
| C18 | C19 | C21 | O22 | 157.8° | 139.1° |
| C18 | C19 | C21 | C23 | 40.1° | 20.9° |
| C19 | C18 | O35 | C23 | 22.8° | 26.6° |
| C19 | C18 | O35 | H181 | 115.8° | 119.6° |
| C19 | C18 | C17 | H171 | 165.8° | 55.7° |
| C19 | C18 | C17 | H172 | 74.1° | 64.3° |
| C18 | C19 | C21 | H211 | 76.8° | 97.3° |
| C18 | C19 | O20 | H201 | 180.0° | 176.2° |
| O20 | C19 | C21 | H191 | 124.9° | 122.6° |
| O20 | C19 | C21 | O22 | 40.8° | 20.4° |
| O20 | C19 | C21 | C23 | 76.8° | 97.8° |
| O20 | C19 | C18 | O35 | 75.6° | 120.7° |
| O20 | C19 | C21 | H211 | 166.2° | 144.0° |
| O20 | C19 | C18 | H181 | 40.8° | 1.2° |
| C19 | C21 | O22 | C23 | 113.5° | 112.7° |
| C19 | C21 | O22 | H211 | 127.7° | 123.6° |
| C19 | C21 | C23 | H211 | 121.4° | 118.2° |
| C19 | C21 | C23 | N24 | 147.1° | 155.7° |
| C19 | C21 | C23 | O35 | 27.9° | 37.0° |
| C21 | C19 | C18 | O35 | 42.4° | 2.1° |
| C21 | C19 | C18 | H181 | 158.7° | 117.5° |
| C19 | C21 | C23 | H231 | 92.2° | 81.5° |
| C21 | C19 | O20 | H201 | 67.0° | 61.5° |
| C19 | C21 | O22 | H221 | 180.0° | 61.4° |
| O22 | C21 | C23 | H211 | 120.3° | 123.6° |
| O22 | C21 | C23 | N24 | 94.7° | 86.1° |
| O22 | C21 | C23 | O35 | 146.1° | 155.3° |
| O22 | C21 | C19 | H191 | 84.0° | 102.2° |
| O22 | C21 | C23 | H231 | 26.1° | 36.7° |
| C21 | C23 | N24 | C25 | 28.8° | 95.0° |
| C21 | C23 | N24 | O35 | 119.5° | 114.1° |
| C21 | C23 | N24 | H231 | 119.4° | 122.8° |
| C21 | C23 | O35 | H231 | 116.9° | 118.5° |
| C21 | C23 | O35 | C18 | 0.9° | 40.1° |
| C21 | C23 | N24 | C28 | 152.7° | 85.0° |
| C23 | C21 | C19 | H191 | 158.3° | 139.6° |
| C23 | C21 | O22 | H221 | 66.5° | 174.1° |
| N24 | C25 | N26 | H251 | 180.0° | 180.0° |
| N24 | C25 | N26 | C27 | 0.2° | 0.0° |
| C25 | N24 | C28 | C27 | 0.4° | 0.0° |
| C25 | N24 | C28 | N29 | 179.8° | 179.7° |
| C25 | N24 | C23 | C28 | 178.6° | 180.0° |
| C25 | N24 | C23 | O35 | 90.7° | 19.1° |
| C25 | N24 | C23 | H231 | 148.2° | 142.2° |
| C25 | N26 | C27 | C28 | 0.0° | 0.0° |
| N26 | C25 | N24 | C23 | 179.1° | 180.0° |
| N26 | C25 | N24 | C28 | 0.4° | 0.0° |
| C25 | N26 | C27 | C33 | 179.8° | 180.0° |
| N26 | C27 | C28 | C33 | 179.9° | 180.0° |
| N26 | C27 | C28 | N29 | 180.0° | 179.8° |
| N26 | C27 | C33 | N32 | 180.0° | 180.0° |
| N26 | C27 | C33 | O34 | 0.1° | 0.1° |
| N26 | C27 | C28 | N24 | 0.3° | 0.0° |
| C27 | N26 | C25 | H251 | 179.8° | 179.9° |
| C27 | C28 | N29 | N24 | 179.7° | 179.7° |
| C27 | C28 | N29 | C30 | 0.2° | 0.0° |
| C28 | C27 | C33 | N32 | 0.1° | 0.0° |
| C28 | C27 | C33 | O34 | 179.9° | 180.0° |
| C27 | C28 | N24 | C23 | 179.2° | 180.0° |
| C28 | N29 | C30 | N31 | 179.8° | 180.0° |
| C28 | N29 | C30 | N32 | 0.2° | 0.5° |
| N29 | C28 | N24 | C23 | 1.0° | 0.3° |
| N29 | C28 | C27 | C33 | 0.2° | 0.2° |
| N29 | C30 | N31 | N32 | 180.0° | 179.6° |
| N29 | C30 | N32 | C33 | 0.2° | 0.7° |
| C30 | N29 | C28 | N24 | 179.5° | 179.7° |
| N29 | C30 | N31 | H311 | 0.0° | 0.0° |
| N29 | C30 | N31 | H312 | 180.0° | 179.9° |
| N29 | C30 | N32 | H321 | 179.8° | 179.8° |
| N31 | C30 | N32 | C33 | 179.8° | 179.8° |
| C30 | N31 | H311 | H312 | 180.0° | 179.9° |
| N31 | C30 | N32 | H321 | 0.2° | 0.2° |
| C30 | N32 | C33 | H321 | 180.0° | 179.5° |
| C30 | N32 | C33 | O34 | 179.9° | 179.5° |
| C30 | N32 | C33 | C27 | 0.2° | 0.4° |
| N32 | C30 | N31 | H311 | 180.0° | 179.6° |
| N32 | C30 | N31 | H312 | 0.1° | 0.5° |
| N32 | C33 | O34 | C27 | 179.9° | 179.9° |
| O34 | C33 | N32 | H321 | 0.1° | 0.0° |
| N24 | C23 | O35 | H231 | 119.5° | 123.0° |
| N24 | C23 | O35 | C18 | 122.6° | 158.6° |
| N24 | C23 | C21 | H211 | 25.7° | 37.5° |
| C23 | N24 | C25 | H251 | 0.9° | 0.0° |
| O35 | C23 | N24 | C28 | 87.8° | 160.9° |
| O35 | C23 | C21 | H211 | 93.5° | 81.1° |
| C23 | O35 | C18 | H181 | 138.6° | 93.0° |
| O16 | P14 | O13 | P11 | 83.1° | 160.0° |
| P14 | O16 | C17 | H171 | 80.6° | 60.0° |
| P14 | O16 | C17 | H172 | 39.6° | 60.0° |
| O16 | P14 | O15 | H2 | 118.9° | 60.0° |
| O36 | P14 | O13 | P11 | 157.7° | 39.9° |
| O36 | P14 | O15 | H2 | 0.0° | 180.0° |
| O13 | P11 | O10 | C09 | 61.1° | 175.0° |
| O13 | P11 | O12 | H1 | 119.6° | 60.0° |
| O37 | P11 | O10 | C09 | 179.6° | 55.0° |
| O37 | P11 | O12 | H1 | 0.0° | 180.0° |
| O10 | C09 | O38 | H091 | 121.1° | 120.1° |
| O10 | C09 | O38 | C02 | 179.7° | 178.8° |
| O10 | C09 | C07 | H071 | 62.1° | 57.7° |
| C09 | O38 | C02 | H021 | 66.9° | 58.9° |
| O38 | C09 | C07 | H071 | 61.0° | 62.3° |
| O38 | C02 | C01 | H012 | 56.2° | 59.9° |
| O38 | C02 | C01 | H011 | 63.8° | 180.0° |
| O38 | C02 | C01 | H013 | 176.2° | 60.0° |
| O38 | C02 | C03 | H031 | 169.5° | 177.5° |
| C02 | O38 | C09 | H091 | 58.6° | 58.8° |
| O35 | C18 | C17 | H171 | 81.4° | 173.5° |
| O35 | C18 | C17 | H172 | 38.8° | 53.5° |
| O35 | C18 | C19 | H191 | 164.3° | 116.6° |
| C18 | O35 | C23 | H231 | 117.9° | 78.4° |
| N24 | C28 | C27 | C33 | 179.6° | 180.0° |
| C28 | N24 | C23 | H231 | 33.3° | 37.8° |
| C28 | N24 | C25 | H251 | 179.6° | 179.9° |
| C27 | C33 | N32 | H321 | 179.8° | 180.0° |
| H171 | C17 | C18 | H181 | 40.8° | 65.4° |
| H172 | C17 | C18 | H181 | 161.0° | 174.6° |
| H211 | C21 | C19 | H191 | 41.4° | 21.4° |
| H211 | C21 | C23 | H231 | 146.4° | 160.3° |
| H211 | C21 | O22 | H221 | 52.3° | 62.2° |
| H012 | C01 | H011 | H013 | 120.0° | 120.0° |
| H012 | C01 | C02 | H021 | 62.7° | 180.0° |
| H011 | C01 | C02 | H021 | 177.3° | 59.9° |
| H013 | C01 | C02 | H021 | 57.3° | 60.0° |
| H021 | C02 | C03 | H031 | 48.4° | 57.5° |
| H031 | C03 | C05 | H051 | 46.9° | 57.0° |
| H031 | C03 | O04 | H041 | 61.9° | 60.1° |
| H051 | C05 | C07 | H071 | 172.3° | 177.2° |
| H051 | C05 | O06 | H061 | 61.3° | 59.8° |
| H071 | C07 | C09 | H091 | 178.8° | 177.8° |
| H181 | C18 | C19 | H191 | 79.3° | 123.8° |
| H191 | C19 | O20 | H201 | 60.5° | 61.2° |
