USR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.58Å | |
| C02 | C03 | sing | 1.53Å | 1.54Å | |
| C03 | O04 | sing | 1.43Å | 1.40Å | |
| C02 | O05 | sing | 1.43Å | 1.40Å | |
| C01 | O06 | sing | 1.43Å | 1.37Å | |
| C07 | C08 | sing | 1.53Å | 1.55Å | |
| C08 | C09 | sing | 1.53Å | 1.50Å | |
| C10 | C09 | sing | 1.53Å | 1.48Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C11 | O12 | sing | 1.43Å | 1.47Å | |
| O12 | C07 | sing | 1.43Å | 1.44Å | |
| C11 | C13 | sing | 1.51Å | 1.50Å | |
| C09 | O14 | sing | 1.43Å | 1.46Å | |
| C08 | N15 | sing | 1.47Å | 1.51Å | |
| C16 | C17 | sing | 1.53Å | 1.47Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C19 | C18 | sing | 1.53Å | 1.50Å | |
| C19 | O20 | sing | 1.43Å | 1.46Å | |
| O20 | C21 | sing | 1.43Å | 1.46Å | |
| C21 | C16 | sing | 1.53Å | 1.53Å | |
| C19 | O22 | sing | 1.43Å | 1.37Å | |
| C16 | O23 | sing | 1.43Å | 1.42Å | |
| C17 | O24 | sing | 1.43Å | 1.50Å | |
| C01 | C07 | sing | 1.53Å | 1.53Å | |
| O24 | C11 | sing | 1.43Å | 1.47Å | |
| C21 | C25 | sing | 1.53Å | 1.51Å | |
| C25 | O26 | sing | 1.43Å | 1.40Å | |
| C18 | O27 | sing | 1.43Å | 1.46Å | |
| N15 | C28 | sing | 1.35Å | 1.48Å | |
| C28 | C29 | sing | 1.51Å | 1.54Å | |
| C28 | O30 | doub | 1.21Å | 1.19Å | |
| C29 | O31 | sing | 1.43Å | 1.41Å | |
| O22 | C32 | sing | 1.43Å | 1.43Å | |
| C13 | O33 | doub | 1.21Å | 1.24Å | |
| C13 | O34 | sing | 1.34Å | 1.28Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å | |
| O04 | H041 | sing | 0.97Å | 0.95Å | |
| O05 | H051 | sing | 0.97Å | 0.95Å | |
| O06 | H061 | sing | 0.97Å | 0.95Å | |
| O14 | H141 | sing | 0.97Å | 0.95Å | |
| O23 | H231 | sing | 0.97Å | 0.95Å | |
| O26 | H261 | sing | 0.97Å | 0.95Å | |
| O27 | H271 | sing | 0.97Å | 0.95Å | |
| O31 | H311 | sing | 0.97Å | 0.95Å | |
| O34 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 106.7° | 109.5° |
| C01 | C02 | O05 | 117.0° | 109.5° |
| C02 | C01 | O06 | 116.3° | 109.5° |
| C02 | C01 | C07 | 123.6° | 109.4° |
| C02 | C01 | H011 | 103.3° | 109.5° |
| C01 | C02 | H021 | 107.5° | 109.5° |
| C02 | C03 | O04 | 112.5° | 109.5° |
| C03 | C02 | O05 | 107.6° | 109.5° |
| C03 | C02 | H021 | 108.0° | 109.5° |
| C02 | C03 | H031 | 108.7° | 109.5° |
| C02 | C03 | H032 | 108.7° | 109.5° |
| O04 | C03 | H031 | 108.7° | 109.4° |
| O04 | C03 | H032 | 108.7° | 109.5° |
| C03 | O04 | H041 | 109.5° | 114.0° |
| O05 | C02 | H021 | 109.8° | 109.5° |
| C02 | O05 | H051 | 109.5° | 114.0° |
| O06 | C01 | C07 | 102.6° | 109.4° |
| O06 | C01 | H011 | 105.4° | 109.5° |
| C01 | O06 | H061 | 109.5° | 114.1° |
| C07 | C08 | C09 | 112.8° | 109.2° |
| C08 | C07 | O12 | 120.1° | 109.4° |
| C07 | C08 | N15 | 121.3° | 109.5° |
| C08 | C07 | C01 | 127.1° | 109.5° |
| C08 | C07 | H071 | 103.2° | 109.4° |
| C07 | C08 | H081 | 104.2° | 109.5° |
| C08 | C09 | C10 | 112.8° | 109.1° |
| C08 | C09 | O14 | 106.3° | 109.5° |
| C09 | C08 | N15 | 107.4° | 109.5° |
| C09 | C08 | H081 | 104.8° | 109.6° |
| C08 | C09 | H091 | 109.4° | 109.5° |
| C09 | C10 | C11 | 115.5° | 109.1° |
| C10 | C09 | O14 | 108.8° | 109.6° |
| C10 | C09 | H091 | 109.6° | 109.6° |
| C09 | C10 | H102 | 108.0° | 109.5° |
| C09 | C10 | H101 | 107.9° | 109.5° |
| C10 | C11 | O12 | 111.3° | 109.4° |
| C10 | C11 | C13 | 113.3° | 109.5° |
| C10 | C11 | O24 | 103.4° | 109.5° |
| C11 | C10 | H102 | 107.9° | 109.5° |
| C11 | C10 | H101 | 107.9° | 109.5° |
| C11 | O12 | C07 | 119.7° | 114.1° |
| O12 | C11 | C13 | 104.1° | 109.5° |
| O12 | C11 | O24 | 107.5° | 109.5° |
| O12 | C07 | C01 | 96.1° | 109.5° |
| O12 | C07 | H071 | 104.3° | 109.5° |
| C13 | C11 | O24 | 117.1° | 109.5° |
| C11 | C13 | O33 | 117.9° | 120.0° |
| C11 | C13 | O34 | 121.6° | 120.0° |
| O14 | C09 | H091 | 109.9° | 109.5° |
| C09 | O14 | H141 | 109.5° | 114.0° |
| C08 | N15 | C28 | 120.4° | 120.0° |
| N15 | C08 | H081 | 104.7° | 109.6° |
| C08 | N15 | H151 | 119.8° | 120.0° |
| C16 | C17 | C18 | 120.9° | 109.0° |
| C17 | C16 | C21 | 115.5° | 109.2° |
| C17 | C16 | O23 | 90.3° | 109.5° |
| C16 | C17 | O24 | 117.0° | 109.6° |
| C17 | C16 | H161 | 113.9° | 109.5° |
| C16 | C17 | H171 | 97.3° | 109.5° |
| C17 | C18 | C19 | 115.6° | 109.2° |
| C18 | C17 | O24 | 117.5° | 109.6° |
| C17 | C18 | O27 | 117.2° | 109.5° |
| C18 | C17 | H171 | 97.0° | 109.6° |
| C17 | C18 | H181 | 103.5° | 109.6° |
| C18 | C19 | O20 | 108.5° | 109.4° |
| C18 | C19 | O22 | 104.2° | 109.5° |
| C19 | C18 | O27 | 110.9° | 109.5° |
| C19 | C18 | H181 | 103.6° | 109.6° |
| C18 | C19 | H191 | 111.4° | 109.5° |
| C19 | O20 | C21 | 109.3° | 114.1° |
| O20 | C19 | O22 | 106.6° | 109.5° |
| O20 | C19 | H191 | 112.0° | 109.5° |
| O20 | C21 | C16 | 109.0° | 109.4° |
| O20 | C21 | C25 | 107.3° | 109.5° |
| O20 | C21 | H211 | 110.2° | 109.5° |
| C21 | C16 | O23 | 107.7° | 109.6° |
| C16 | C21 | C25 | 111.7° | 109.5° |
| C21 | C16 | H161 | 112.8° | 109.5° |
| C16 | C21 | H211 | 109.2° | 109.5° |
| C19 | O22 | C32 | 114.7° | 114.0° |
| O22 | C19 | H191 | 113.7° | 109.5° |
| O23 | C16 | H161 | 114.7° | 109.5° |
| C16 | O23 | H231 | 109.5° | 114.0° |
| C17 | O24 | C11 | 130.6° | 114.0° |
| O24 | C17 | H171 | 97.1° | 109.6° |
| C07 | C01 | H011 | 103.8° | 109.5° |
| C01 | C07 | H071 | 103.3° | 109.5° |
| C21 | C25 | O26 | 111.3° | 109.5° |
| C25 | C21 | H211 | 109.5° | 109.5° |
| C21 | C25 | H252 | 109.0° | 109.5° |
| C21 | C25 | H251 | 109.0° | 109.5° |
| O26 | C25 | H252 | 109.0° | 109.5° |
| O26 | C25 | H251 | 109.0° | 109.5° |
| C25 | O26 | H261 | 109.5° | 114.0° |
| O27 | C18 | H181 | 104.0° | 109.5° |
| C18 | O27 | H271 | 109.5° | 114.0° |
| N15 | C28 | C29 | 117.5° | 120.0° |
| N15 | C28 | O30 | 119.5° | 120.0° |
| C28 | N15 | H151 | 119.8° | 120.0° |
| C29 | C28 | O30 | 122.9° | 120.0° |
| C28 | C29 | O31 | 108.9° | 109.5° |
| C28 | C29 | H292 | 109.6° | 109.5° |
| C28 | C29 | H291 | 109.6° | 109.5° |
| O31 | C29 | H292 | 109.6° | 109.4° |
| O31 | C29 | H291 | 109.6° | 109.4° |
| C29 | O31 | H311 | 109.5° | 114.0° |
| O22 | C32 | H323 | 109.5° | 109.5° |
| O22 | C32 | H322 | 109.5° | 109.5° |
| O22 | C32 | H321 | 109.5° | 109.5° |
| O33 | C13 | O34 | 120.5° | 120.0° |
| C13 | O34 | H1 | 109.5° | 117.0° |
| H031 | C03 | H032 | 109.4° | 109.5° |
| H102 | C10 | H101 | 109.5° | 109.6° |
| H252 | C25 | H251 | 109.5° | 109.5° |
| H292 | C29 | H291 | 109.5° | 109.5° |
| H323 | C32 | H322 | 109.5° | 109.5° |
| H323 | C32 | H321 | 109.4° | 109.4° |
| H322 | C32 | H321 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | O05 | 126.3° | 120.0° |
| C01 | C02 | C03 | H021 | 115.2° | 120.0° |
| C01 | C02 | C03 | O04 | 116.6° | 175.0° |
| C01 | C02 | O05 | H021 | 122.8° | 120.1° |
| C02 | C01 | O06 | C07 | 137.9° | 119.9° |
| C02 | C01 | O06 | H011 | 113.8° | 120.0° |
| C02 | C01 | C07 | C08 | 71.5° | 177.8° |
| C02 | C01 | C07 | O12 | 64.0° | 62.3° |
| C02 | C01 | C07 | H011 | 116.6° | 120.0° |
| C01 | C02 | C03 | H031 | 3.9° | 65.0° |
| C01 | C02 | C03 | H032 | 122.9° | 55.0° |
| C02 | C01 | C07 | H071 | 170.3° | 57.8° |
| C01 | C02 | O05 | H051 | 180.0° | 65.7° |
| C02 | C01 | O06 | H061 | 180.0° | 60.0° |
| C02 | C03 | O04 | H031 | 120.5° | 120.0° |
| C02 | C03 | O04 | H032 | 120.4° | 120.0° |
| C03 | C02 | O05 | H021 | 117.2° | 120.0° |
| C03 | C02 | C01 | O06 | 47.7° | 53.6° |
| C03 | C02 | C01 | C07 | 175.9° | 173.5° |
| C03 | C02 | C01 | H011 | 67.2° | 66.5° |
| C02 | C03 | H031 | H032 | 118.6° | 120.0° |
| C02 | C03 | O04 | H041 | 180.0° | 180.0° |
| C03 | C02 | O05 | H051 | 60.1° | 54.3° |
| O04 | C03 | C02 | O05 | 9.7° | 65.0° |
| O04 | C03 | C02 | H021 | 128.1° | 55.0° |
| O04 | C03 | H031 | H032 | 118.6° | 119.9° |
| O05 | C02 | C01 | O06 | 168.1° | 173.5° |
| O05 | C02 | C01 | C07 | 63.6° | 66.5° |
| O05 | C02 | C01 | H011 | 53.2° | 53.5° |
| O05 | C02 | C03 | H031 | 130.2° | 55.0° |
| O05 | C02 | C03 | H032 | 110.7° | 175.0° |
| O06 | C01 | C07 | C08 | 62.3° | 62.3° |
| O06 | C01 | C07 | O12 | 162.2° | 57.7° |
| O06 | C01 | C07 | H011 | 109.6° | 120.1° |
| O06 | C01 | C02 | H021 | 67.9° | 66.4° |
| O06 | C01 | C07 | H071 | 55.9° | 177.8° |
| C07 | C08 | C09 | N15 | 136.3° | 119.9° |
| C07 | C08 | C09 | H081 | 112.8° | 119.9° |
| C07 | C08 | C09 | C10 | 24.1° | 57.0° |
| C08 | C07 | O12 | C11 | 29.6° | 61.1° |
| C08 | C07 | O12 | C01 | 139.8° | 120.0° |
| C08 | C07 | O12 | H071 | 114.7° | 119.9° |
| C07 | C08 | C09 | O14 | 143.2° | 63.0° |
| C07 | C08 | N15 | H081 | 117.2° | 120.2° |
| C08 | C07 | C01 | H071 | 118.2° | 119.9° |
| C07 | C08 | N15 | C28 | 103.4° | 155.0° |
| C08 | C07 | C01 | H011 | 171.9° | 57.8° |
| C07 | C08 | C09 | H091 | 98.2° | 176.9° |
| C07 | C08 | N15 | H151 | 76.7° | 25.0° |
| C08 | C09 | C10 | O14 | 117.7° | 119.9° |
| C08 | C09 | C10 | H091 | 122.2° | 119.9° |
| C08 | C09 | C10 | C11 | 58.2° | 57.0° |
| C09 | C08 | C07 | O12 | 17.8° | 57.6° |
| C08 | C09 | O14 | H091 | 118.2° | 120.1° |
| C09 | C08 | N15 | H081 | 111.0° | 120.2° |
| C09 | C08 | C07 | C01 | 144.2° | 177.6° |
| C09 | C08 | N15 | C28 | 124.8° | 85.3° |
| C09 | C08 | C07 | H071 | 97.5° | 62.4° |
| C08 | C09 | C10 | H102 | 179.0° | 62.9° |
| C08 | C09 | C10 | H101 | 62.7° | 176.9° |
| C09 | C08 | N15 | H151 | 55.1° | 94.7° |
| C08 | C09 | O14 | H141 | 180.0° | 180.0° |
| C09 | C10 | C11 | H102 | 120.9° | 119.9° |
| C09 | C10 | C11 | H101 | 120.9° | 119.9° |
| C09 | C10 | C11 | O12 | 46.4° | 57.6° |
| C09 | C10 | C11 | C13 | 70.6° | 177.6° |
| C10 | C09 | O14 | H091 | 120.0° | 120.2° |
| C10 | C09 | C08 | N15 | 160.4° | 62.9° |
| C09 | C10 | C11 | O24 | 161.6° | 62.4° |
| C10 | C09 | C08 | H081 | 88.7° | 176.9° |
| C09 | C10 | H102 | H101 | 117.3° | 120.2° |
| C10 | C09 | O14 | H141 | 58.2° | 60.4° |
| C10 | C11 | O12 | C13 | 122.5° | 120.0° |
| C10 | C11 | O12 | O24 | 112.6° | 120.0° |
| C10 | C11 | O12 | C07 | 2.4° | 61.2° |
| C10 | C11 | C13 | O24 | 120.3° | 120.0° |
| C11 | C10 | C09 | O14 | 175.9° | 62.9° |
| C10 | C11 | O24 | C17 | 165.2° | 176.8° |
| C10 | C11 | C13 | O33 | 43.5° | 119.7° |
| C10 | C11 | C13 | O34 | 136.0° | 60.3° |
| C11 | C10 | C09 | H091 | 64.0° | 176.9° |
| C11 | C10 | H102 | H101 | 117.3° | 120.2° |
| O12 | C11 | C13 | O24 | 118.5° | 120.0° |
| O12 | C11 | O24 | C17 | 76.9° | 63.2° |
| C11 | O12 | C07 | C01 | 169.4° | 178.9° |
| O12 | C11 | C13 | O33 | 164.6° | 120.4° |
| O12 | C11 | C13 | O34 | 14.9° | 59.6° |
| C11 | O12 | C07 | H071 | 85.1° | 58.8° |
| O12 | C11 | C10 | H102 | 167.3° | 62.3° |
| O12 | C11 | C10 | H101 | 74.5° | 177.5° |
| C07 | O12 | C11 | C13 | 120.1° | 178.9° |
| O12 | C07 | C08 | N15 | 111.7° | 62.3° |
| O12 | C07 | C01 | H071 | 106.3° | 120.1° |
| C07 | O12 | C11 | O24 | 115.0° | 58.8° |
| O12 | C07 | C01 | H011 | 52.6° | 177.8° |
| O12 | C07 | C08 | H081 | 130.9° | 177.5° |
| C13 | C11 | O24 | C17 | 39.7° | 56.8° |
| C11 | C13 | O33 | O34 | 179.5° | 180.0° |
| C13 | C11 | C10 | H102 | 50.3° | 57.7° |
| C13 | C11 | C10 | H101 | 168.6° | 62.5° |
| C11 | C13 | O34 | H1 | 179.5° | 180.0° |
| O14 | C09 | C08 | N15 | 80.4° | 177.2° |
| O14 | C09 | C08 | H081 | 30.5° | 57.0° |
| O14 | C09 | C10 | H102 | 63.3° | 177.2° |
| O14 | C09 | C10 | H101 | 55.0° | 57.0° |
| N15 | C08 | C07 | C01 | 14.7° | 57.7° |
| C08 | N15 | C28 | H151 | 180.0° | 180.0° |
| C08 | N15 | C28 | C29 | 179.3° | 180.0° |
| C08 | N15 | C28 | O30 | 2.1° | 0.0° |
| N15 | C08 | C07 | H071 | 132.9° | 177.7° |
| N15 | C08 | C09 | H091 | 38.1° | 57.0° |
| C16 | C17 | C18 | O24 | 155.3° | 119.9° |
| C16 | C17 | C18 | H171 | 102.8° | 119.8° |
| C16 | C17 | C18 | C19 | 1.2° | 57.0° |
| C17 | C16 | C21 | O20 | 30.8° | 57.7° |
| C17 | C16 | C21 | O23 | 99.1° | 119.9° |
| C17 | C16 | C21 | H161 | 133.3° | 119.9° |
| C17 | C16 | O23 | H161 | 116.6° | 120.1° |
| C16 | C17 | O24 | H171 | 101.9° | 120.2° |
| C16 | C17 | O24 | C11 | 44.5° | 106.6° |
| C17 | C16 | C21 | C25 | 149.2° | 177.6° |
| C16 | C17 | C18 | O27 | 132.5° | 176.9° |
| C16 | C17 | C18 | H181 | 113.7° | 63.0° |
| C17 | C16 | C21 | H211 | 89.6° | 62.4° |
| C17 | C16 | O23 | H231 | 180.0° | 180.0° |
| C17 | C18 | C19 | O27 | 136.5° | 119.9° |
| C17 | C18 | C19 | H181 | 112.5° | 120.0° |
| C17 | C18 | C19 | O20 | 33.1° | 57.6° |
| C18 | C17 | C16 | C21 | 2.5° | 57.0° |
| C17 | C18 | C19 | O22 | 146.5° | 177.6° |
| C18 | C17 | C16 | O23 | 112.3° | 63.0° |
| C18 | C17 | O24 | H171 | 101.8° | 120.3° |
| C18 | C17 | O24 | C11 | 111.8° | 133.9° |
| C17 | C18 | O27 | H181 | 113.5° | 120.2° |
| C18 | C17 | C16 | H161 | 130.3° | 176.9° |
| C17 | C18 | C19 | H191 | 90.6° | 62.3° |
| C17 | C18 | O27 | H271 | 180.0° | 174.9° |
| C18 | C19 | O20 | O22 | 111.7° | 120.0° |
| C18 | C19 | O20 | H191 | 123.4° | 120.0° |
| C18 | C19 | O20 | C21 | 70.1° | 61.2° |
| C18 | C19 | O22 | H191 | 121.4° | 120.0° |
| C19 | C18 | C17 | O24 | 156.5° | 62.9° |
| C19 | C18 | O27 | H181 | 110.8° | 120.1° |
| C18 | C19 | O22 | C32 | 174.6° | 175.0° |
| C19 | C18 | C17 | H171 | 101.6° | 176.8° |
| C19 | C18 | O27 | H271 | 44.3° | 65.4° |
| C19 | O20 | C21 | C16 | 68.8° | 61.2° |
| O20 | C19 | O22 | H191 | 124.0° | 120.0° |
| C19 | O20 | C21 | C25 | 170.1° | 178.9° |
| O20 | C19 | C18 | O27 | 169.6° | 177.5° |
| O20 | C19 | O22 | C32 | 70.8° | 65.0° |
| O20 | C19 | C18 | H181 | 79.3° | 62.4° |
| C19 | O20 | C21 | H211 | 50.9° | 58.9° |
| O20 | C21 | C16 | C25 | 118.4° | 119.9° |
| O20 | C21 | C16 | H211 | 120.4° | 120.0° |
| C21 | O20 | C19 | O22 | 178.3° | 178.8° |
| O20 | C21 | C16 | O23 | 68.3° | 62.3° |
| O20 | C21 | C25 | H211 | 119.6° | 120.0° |
| O20 | C21 | C25 | O26 | 60.2° | 65.2° |
| O20 | C21 | C16 | H161 | 164.1° | 177.6° |
| C21 | O20 | C19 | H191 | 53.3° | 58.8° |
| O20 | C21 | C25 | H252 | 179.5° | 174.8° |
| O20 | C21 | C25 | H251 | 60.1° | 54.8° |
| C21 | C16 | O23 | H161 | 126.5° | 120.2° |
| C21 | C16 | C17 | O24 | 157.9° | 62.8° |
| C16 | C21 | C25 | H211 | 121.0° | 120.1° |
| C16 | C21 | C25 | O26 | 179.6° | 174.9° |
| C21 | C16 | C17 | H171 | 100.2° | 176.9° |
| C16 | C21 | C25 | H252 | 60.2° | 54.9° |
| C16 | C21 | C25 | H251 | 59.3° | 65.1° |
| C21 | C16 | O23 | H231 | 63.1° | 60.3° |
| O22 | C19 | C18 | O27 | 77.1° | 62.5° |
| O22 | C19 | C18 | H181 | 34.0° | 57.6° |
| C19 | O22 | C32 | H323 | 180.0° | 59.9° |
| C19 | O22 | C32 | H322 | 60.0° | 180.0° |
| C19 | O22 | C32 | H321 | 60.0° | 60.0° |
| O23 | C16 | C17 | O24 | 92.3° | 177.2° |
| O23 | C16 | C21 | C25 | 50.1° | 57.7° |
| O23 | C16 | C17 | H171 | 9.6° | 56.9° |
| O23 | C16 | C21 | H211 | 171.3° | 177.7° |
| O24 | C17 | C18 | O27 | 22.8° | 57.0° |
| O24 | C17 | C16 | H161 | 25.1° | 57.1° |
| O24 | C17 | C18 | H181 | 90.9° | 177.1° |
| C07 | C01 | C02 | H021 | 60.4° | 53.5° |
| C01 | C07 | C08 | H081 | 102.7° | 62.5° |
| C07 | C01 | O06 | H061 | 42.1° | 59.9° |
| O24 | C11 | C13 | O33 | 76.8° | 0.3° |
| O24 | C11 | C13 | O34 | 103.7° | 179.7° |
| O24 | C11 | C10 | H102 | 77.6° | 177.8° |
| O24 | C11 | C10 | H101 | 40.7° | 57.5° |
| C11 | O24 | C17 | H171 | 146.4° | 13.7° |
| C21 | C25 | O26 | H252 | 120.3° | 120.0° |
| C21 | C25 | O26 | H251 | 120.2° | 120.0° |
| C25 | C21 | C16 | H161 | 77.5° | 62.5° |
| C21 | C25 | H252 | H251 | 119.1° | 120.0° |
| C21 | C25 | O26 | H261 | 180.0° | 180.0° |
| O26 | C25 | C21 | H211 | 59.4° | 54.8° |
| O26 | C25 | H252 | H251 | 119.2° | 120.0° |
| O27 | C18 | C17 | H171 | 124.7° | 63.3° |
| O27 | C18 | C19 | H191 | 45.9° | 57.5° |
| N15 | C28 | C29 | O30 | 178.6° | 180.0° |
| N15 | C28 | C29 | O31 | 159.3° | 180.0° |
| C28 | N15 | C08 | H081 | 13.8° | 34.8° |
| N15 | C28 | C29 | H292 | 39.4° | 60.0° |
| N15 | C28 | C29 | H291 | 80.8° | 60.0° |
| C28 | C29 | O31 | H292 | 119.9° | 120.0° |
| C28 | C29 | O31 | H291 | 119.9° | 120.0° |
| C28 | C29 | H292 | H291 | 120.3° | 120.0° |
| C29 | C28 | N15 | H151 | 0.7° | 0.0° |
| C28 | C29 | O31 | H311 | 9.0° | 180.0° |
| O30 | C28 | C29 | O31 | 22.1° | 0.0° |
| O30 | C28 | C29 | H292 | 142.1° | 120.0° |
| O30 | C28 | C29 | H291 | 97.7° | 120.0° |
| O30 | C28 | N15 | H151 | 177.9° | 180.0° |
| O31 | C29 | H292 | H291 | 120.2° | 120.0° |
| C32 | O22 | C19 | H191 | 53.1° | 55.0° |
| O22 | C32 | H323 | H322 | 120.0° | 120.1° |
| O22 | C32 | H323 | H321 | 120.0° | 120.0° |
| O22 | C32 | H322 | H321 | 120.0° | 120.0° |
| O33 | C13 | O34 | H1 | 0.0° | 0.1° |
| H011 | C01 | C02 | H021 | 177.2° | 173.5° |
| H011 | C01 | C07 | H071 | 53.7° | 62.2° |
| H011 | C01 | O06 | H061 | 66.2° | 180.0° |
| H021 | C02 | C03 | H031 | 111.4° | 174.9° |
| H021 | C02 | C03 | H032 | 7.7° | 65.0° |
| H021 | C02 | O05 | H051 | 57.2° | 174.2° |
| H031 | C03 | O04 | H041 | 59.5° | 60.0° |
| H032 | C03 | O04 | H041 | 59.6° | 60.0° |
| H071 | C07 | C08 | H081 | 15.5° | 57.5° |
| H081 | C08 | C09 | H091 | 149.0° | 63.2° |
| H081 | C08 | N15 | H151 | 166.2° | 145.1° |
| H091 | C09 | C10 | H102 | 56.8° | 57.0° |
| H091 | C09 | C10 | H101 | 175.1° | 63.2° |
| H091 | C09 | O14 | H141 | 61.8° | 59.8° |
| H161 | C16 | C17 | H171 | 127.0° | 63.2° |
| H161 | C16 | C21 | H211 | 43.7° | 57.5° |
| H161 | C16 | O23 | H231 | 63.4° | 59.9° |
| H171 | C17 | C18 | H181 | 10.9° | 56.8° |
| H181 | C18 | C19 | H191 | 156.9° | 177.6° |
| H181 | C18 | O27 | H271 | 66.5° | 54.7° |
| H211 | C21 | C25 | H252 | 60.9° | 65.2° |
| H211 | C21 | C25 | H251 | 179.7° | 174.8° |
| H252 | C25 | O26 | H261 | 59.7° | 60.0° |
| H251 | C25 | O26 | H261 | 59.8° | 60.0° |
| H292 | C29 | O31 | H311 | 129.0° | 60.0° |
| H291 | C29 | O31 | H311 | 110.9° | 60.0° |
| H323 | C32 | H322 | H321 | 120.0° | 119.9° |
