ILQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| O09 | C10 | sing | 1.43Å | 1.39Å | |
| O09 | C08 | sing | 1.43Å | 1.41Å | |
| C08 | C07 | sing | 1.53Å | 1.53Å | |
| O06 | C07 | sing | 1.43Å | 1.41Å | |
| O06 | C05 | sing | 1.43Å | 1.40Å | |
| C05 | C04 | sing | 1.53Å | 1.52Å | |
| C04 | N03 | sing | 1.47Å | 1.44Å | |
| C32 | N31 | sing | 1.47Å | 1.45Å | |
| N03 | C02 | sing | 1.35Å | 1.43Å | |
| N31 | C30 | sing | 1.40Å | 1.47Å | |
| C37 | SI35 | sing | 1.86Å | 1.88Å | |
| C02 | O01 | doub | 1.22Å | 1.19Å | |
| C02 | C16 | sing | 1.48Å | 1.50Å | |
| C33 | C30 | doub | 1.39Å | 1.39Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C29 | sing | 1.39Å | 1.38Å | Aromatic |
| SI35 | C34 | sing | 1.88Å | 1.79Å | |
| SI35 | C36 | sing | 1.86Å | 1.86Å | |
| SI35 | C39 | sing | 1.88Å | 1.80Å | |
| C16 | C45 | doub | 1.40Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C34 | C27 | doub | 1.38Å | 1.37Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.37Å | Aromatic |
| C45 | C25 | sing | 1.38Å | 1.37Å | Aromatic |
| C27 | C28 | sing | 1.40Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.50Å | 1.67Å | |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | sing | 1.51Å | 1.51Å | |
| C25 | C19 | doub | 1.40Å | 1.43Å | Aromatic |
| C39 | C40 | sing | 1.38Å | 1.41Å | Aromatic |
| C39 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C40 | C41 | doub | 1.39Å | 1.41Å | Aromatic |
| C26 | C38 | sing | 1.50Å | 1.64Å | |
| C26 | N21 | sing | 1.48Å | 1.37Å | |
| C18 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C38 | C44 | sing | 1.40Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.46Å | 1.54Å | |
| C41 | N42 | sing | 1.40Å | 1.46Å | |
| C41 | C43 | sing | 1.39Å | 1.41Å | Aromatic |
| N21 | C20 | sing | 1.34Å | 1.42Å | |
| N21 | C22 | sing | 1.36Å | 1.44Å | |
| C44 | C43 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | O24 | doub | 1.22Å | 1.19Å | |
| C22 | N23 | trip | 1.14Å | 1.15Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H373 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.08Å | 1.08Å | |
| C43 | H431 | sing | 1.08Å | 1.08Å | |
| C44 | H441 | sing | 1.08Å | 1.08Å | |
| C45 | H451 | sing | 1.08Å | 1.08Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N31 | H311 | sing | 0.97Å | 1.00Å | |
| N42 | H421 | sing | 0.97Å | 1.00Å | |
| N42 | H422 | sing | 0.97Å | 1.00Å | |
| C15 | CL1 | sing | 1.80Å | 1.38Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | C13 | 108.9° | 109.4° |
| C15 | C14 | H141 | 109.6° | 109.5° |
| C15 | C14 | H142 | 109.6° | 109.4° |
| C14 | C15 | H152 | 108.3° | 109.5° |
| C14 | C15 | H153 | 108.4° | 109.5° |
| C14 | C15 | CL1 | 113.8° | 109.5° |
| C14 | C13 | C12 | 114.4° | 109.5° |
| C14 | C13 | H131 | 108.2° | 109.5° |
| C14 | C13 | H132 | 108.2° | 109.5° |
| C13 | C14 | H141 | 109.6° | 109.5° |
| C13 | C14 | H142 | 109.6° | 109.5° |
| C13 | C12 | C11 | 107.7° | 109.5° |
| C13 | C12 | H122 | 109.9° | 109.5° |
| C13 | C12 | H121 | 109.9° | 109.5° |
| C12 | C13 | H131 | 108.2° | 109.4° |
| C12 | C13 | H132 | 108.2° | 109.5° |
| C12 | C11 | C10 | 115.6° | 109.5° |
| C12 | C11 | H112 | 107.9° | 109.4° |
| C12 | C11 | H111 | 107.9° | 109.5° |
| C11 | C12 | H122 | 109.9° | 109.4° |
| C11 | C12 | H121 | 109.9° | 109.5° |
| C11 | C10 | O09 | 106.1° | 109.5° |
| C11 | C10 | H102 | 110.3° | 109.4° |
| C11 | C10 | H101 | 110.3° | 109.4° |
| C10 | C11 | H112 | 107.9° | 109.5° |
| C10 | C11 | H111 | 107.9° | 109.5° |
| C10 | O09 | C08 | 108.8° | 114.0° |
| O09 | C10 | H102 | 110.3° | 109.6° |
| O09 | C10 | H101 | 110.3° | 109.5° |
| O09 | C08 | C07 | 111.5° | 109.4° |
| O09 | C08 | H081 | 109.0° | 109.4° |
| O09 | C08 | H082 | 109.0° | 109.4° |
| C08 | C07 | O06 | 111.0° | 109.4° |
| C08 | C07 | H071 | 109.1° | 109.4° |
| C08 | C07 | H072 | 109.1° | 109.5° |
| C07 | C08 | H081 | 109.0° | 109.5° |
| C07 | C08 | H082 | 109.0° | 109.5° |
| C07 | O06 | C05 | 114.7° | 114.0° |
| O06 | C07 | H071 | 109.1° | 109.5° |
| O06 | C07 | H072 | 109.1° | 109.5° |
| O06 | C05 | C04 | 106.0° | 109.4° |
| O06 | C05 | H052 | 110.3° | 109.4° |
| O06 | C05 | H051 | 110.3° | 109.5° |
| C05 | C04 | N03 | 111.4° | 109.5° |
| C05 | C04 | H042 | 109.0° | 109.4° |
| C05 | C04 | H041 | 109.0° | 109.4° |
| C04 | C05 | H052 | 110.3° | 109.4° |
| C04 | C05 | H051 | 110.4° | 109.5° |
| C04 | N03 | C02 | 120.4° | 120.0° |
| N03 | C04 | H042 | 109.0° | 109.5° |
| N03 | C04 | H041 | 109.0° | 109.5° |
| C04 | N03 | H031 | 119.8° | 120.0° |
| C32 | N31 | C30 | 117.6° | 120.0° |
| N31 | C32 | H323 | 109.5° | 109.4° |
| N31 | C32 | H322 | 109.5° | 109.5° |
| N31 | C32 | H321 | 109.5° | 109.5° |
| C32 | N31 | H311 | 107.4° | 120.0° |
| N03 | C02 | O01 | 122.7° | 120.0° |
| N03 | C02 | C16 | 117.6° | 120.0° |
| C02 | N03 | H031 | 119.8° | 120.0° |
| N31 | C30 | C33 | 117.4° | 120.5° |
| N31 | C30 | C29 | 120.9° | 120.5° |
| C30 | N31 | H311 | 107.4° | 120.0° |
| C37 | SI35 | C34 | 108.8° | 110.3° |
| C37 | SI35 | C36 | 111.7° | 110.3° |
| C37 | SI35 | C39 | 108.0° | 110.3° |
| SI35 | C37 | H372 | 109.5° | 109.4° |
| SI35 | C37 | H373 | 109.5° | 109.5° |
| SI35 | C37 | H371 | 109.5° | 109.5° |
| O01 | C02 | C16 | 119.7° | 120.0° |
| C02 | C16 | C45 | 118.4° | 119.3° |
| C02 | C16 | C17 | 119.0° | 119.3° |
| C30 | C33 | C34 | 120.4° | 119.7° |
| C33 | C30 | C29 | 121.7° | 119.0° |
| C30 | C33 | H331 | 119.8° | 120.2° |
| C33 | C34 | SI35 | 120.6° | 120.1° |
| C33 | C34 | C27 | 115.7° | 122.1° |
| C34 | C33 | H331 | 119.8° | 120.1° |
| C30 | C29 | C28 | 119.4° | 120.5° |
| C30 | C29 | H291 | 120.3° | 119.7° |
| C34 | SI35 | C36 | 110.2° | 110.3° |
| C34 | SI35 | C39 | 107.3° | 105.2° |
| SI35 | C34 | C27 | 123.7° | 117.8° |
| C36 | SI35 | C39 | 110.7° | 110.4° |
| SI35 | C36 | H362 | 109.5° | 109.5° |
| SI35 | C36 | H363 | 109.5° | 109.5° |
| SI35 | C36 | H361 | 109.5° | 109.4° |
| SI35 | C39 | C40 | 119.0° | 120.1° |
| SI35 | C39 | C38 | 122.7° | 117.7° |
| C45 | C16 | C17 | 122.7° | 121.4° |
| C16 | C45 | C25 | 117.5° | 116.7° |
| C16 | C45 | H451 | 121.3° | 121.6° |
| C16 | C17 | C18 | 119.5° | 121.9° |
| C16 | C17 | H171 | 120.2° | 119.1° |
| C34 | C27 | C28 | 126.2° | 117.8° |
| C34 | C27 | C26 | 125.1° | 125.1° |
| C29 | C28 | C27 | 116.5° | 120.9° |
| C29 | C28 | H281 | 121.8° | 119.6° |
| C28 | C29 | H291 | 120.3° | 119.8° |
| C45 | C25 | C26 | 132.1° | 130.9° |
| C45 | C25 | C19 | 120.4° | 122.1° |
| C25 | C45 | H451 | 121.2° | 121.6° |
| C28 | C27 | C26 | 108.6° | 117.1° |
| C27 | C28 | H281 | 121.7° | 119.5° |
| C27 | C26 | C25 | 109.6° | 108.5° |
| C27 | C26 | C38 | 113.2° | 119.1° |
| C27 | C26 | N21 | 110.4° | 107.4° |
| C17 | C18 | C19 | 118.1° | 116.9° |
| C18 | C17 | H171 | 120.2° | 119.1° |
| C17 | C18 | H181 | 120.9° | 121.6° |
| C26 | C25 | C19 | 107.5° | 107.1° |
| C25 | C26 | C38 | 107.9° | 108.5° |
| C25 | C26 | N21 | 106.0° | 105.0° |
| C25 | C19 | C18 | 121.8° | 121.0° |
| C25 | C19 | C20 | 107.7° | 108.4° |
| C40 | C39 | C38 | 118.3° | 122.2° |
| C39 | C40 | C41 | 119.9° | 119.6° |
| C39 | C40 | H401 | 120.1° | 120.2° |
| C39 | C38 | C26 | 125.5° | 125.2° |
| C39 | C38 | C44 | 123.3° | 117.7° |
| C40 | C41 | N42 | 118.5° | 120.5° |
| C40 | C41 | C43 | 120.3° | 119.0° |
| C41 | C40 | H401 | 120.0° | 120.2° |
| C38 | C26 | N21 | 109.5° | 107.4° |
| C26 | C38 | C44 | 111.2° | 117.1° |
| C26 | N21 | C20 | 115.5° | 109.4° |
| C26 | N21 | C22 | 126.3° | 125.3° |
| C18 | C19 | C20 | 130.5° | 130.6° |
| C19 | C18 | H181 | 120.9° | 121.6° |
| C38 | C44 | C43 | 117.7° | 120.8° |
| C38 | C44 | H441 | 121.1° | 119.5° |
| C19 | C20 | N21 | 103.2° | 110.2° |
| C19 | C20 | O24 | 127.5° | 124.9° |
| N42 | C41 | C43 | 121.2° | 120.5° |
| C41 | N42 | H421 | 109.5° | 120.0° |
| C41 | N42 | H422 | 109.5° | 120.0° |
| C41 | C43 | C44 | 120.5° | 120.6° |
| C41 | C43 | H431 | 119.7° | 119.8° |
| C20 | N21 | C22 | 118.2° | 125.3° |
| N21 | C20 | O24 | 129.3° | 124.9° |
| N21 | C22 | N23 | 172.9° | 180.0° |
| C44 | C43 | H431 | 119.8° | 119.7° |
| C43 | C44 | H441 | 121.2° | 119.6° |
| H042 | C04 | H041 | 109.5° | 109.5° |
| H052 | C05 | H051 | 109.5° | 109.5° |
| H071 | C07 | H072 | 109.4° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H102 | C10 | H101 | 109.5° | 109.4° |
| H112 | C11 | H111 | 109.5° | 109.5° |
| H122 | C12 | H121 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H152 | C15 | H153 | 109.5° | 109.5° |
| H152 | C15 | CL1 | 108.4° | 109.4° |
| H153 | C15 | CL1 | 108.4° | 109.4° |
| H323 | C32 | H322 | 109.5° | 109.5° |
| H323 | C32 | H321 | 109.4° | 109.4° |
| H322 | C32 | H321 | 109.5° | 109.6° |
| H362 | C36 | H363 | 109.5° | 109.5° |
| H362 | C36 | H361 | 109.5° | 109.5° |
| H363 | C36 | H361 | 109.5° | 109.5° |
| H372 | C37 | H373 | 109.5° | 109.5° |
| H372 | C37 | H371 | 109.5° | 109.5° |
| H373 | C37 | H371 | 109.5° | 109.5° |
| H421 | N42 | H422 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | C13 | H141 | 119.9° | 120.0° |
| C15 | C14 | C13 | H142 | 119.9° | 119.9° |
| C15 | C14 | C13 | C12 | 169.3° | 180.0° |
| C15 | C14 | C13 | H131 | 48.6° | 60.0° |
| C15 | C14 | C13 | H132 | 70.0° | 60.0° |
| C15 | C14 | H141 | H142 | 120.3° | 120.0° |
| C14 | C15 | H152 | H153 | 118.0° | 120.0° |
| C14 | C15 | H152 | CL1 | 124.0° | 120.0° |
| C14 | C15 | H153 | CL1 | 124.0° | 120.0° |
| C14 | C13 | C12 | H131 | 120.7° | 120.0° |
| C14 | C13 | C12 | H132 | 120.7° | 120.0° |
| C14 | C13 | C12 | C11 | 171.7° | 180.0° |
| C14 | C13 | C12 | H122 | 52.0° | 60.0° |
| C14 | C13 | C12 | H121 | 68.6° | 60.0° |
| C14 | C13 | H131 | H132 | 117.8° | 120.0° |
| C13 | C14 | H141 | H142 | 120.2° | 120.0° |
| C13 | C14 | C15 | H152 | 171.8° | 60.0° |
| C13 | C14 | C15 | H153 | 53.1° | 60.0° |
| C13 | C14 | C15 | CL1 | 67.5° | 180.0° |
| C13 | C12 | C11 | H122 | 119.7° | 120.0° |
| C13 | C12 | C11 | H121 | 119.8° | 120.0° |
| C13 | C12 | C11 | C10 | 178.5° | 180.0° |
| C13 | C12 | C11 | H112 | 57.6° | 60.0° |
| C13 | C12 | C11 | H111 | 60.6° | 60.0° |
| C13 | C12 | H122 | H121 | 120.8° | 120.0° |
| C12 | C13 | H131 | H132 | 117.8° | 119.9° |
| C12 | C13 | C14 | H141 | 70.8° | 60.0° |
| C12 | C13 | C14 | H142 | 49.4° | 60.0° |
| C12 | C11 | C10 | H112 | 120.9° | 120.0° |
| C12 | C11 | C10 | H111 | 120.9° | 120.0° |
| C12 | C11 | C10 | O09 | 30.5° | 180.0° |
| C12 | C11 | C10 | H102 | 89.0° | 59.9° |
| C12 | C11 | C10 | H101 | 149.9° | 60.0° |
| C12 | C11 | H112 | H111 | 117.2° | 120.0° |
| C11 | C12 | H122 | H121 | 120.8° | 120.0° |
| C11 | C12 | C13 | H131 | 67.6° | 60.0° |
| C11 | C12 | C13 | H132 | 51.0° | 60.0° |
| C11 | C10 | O09 | H102 | 119.5° | 120.0° |
| C11 | C10 | O09 | H101 | 119.4° | 120.0° |
| C11 | C10 | O09 | C08 | 167.1° | 180.0° |
| C11 | C10 | H102 | H101 | 121.6° | 119.9° |
| C10 | C11 | H112 | H111 | 117.2° | 120.0° |
| C10 | C11 | C12 | H122 | 61.8° | 60.0° |
| C10 | C11 | C12 | H121 | 58.8° | 60.0° |
| C10 | O09 | C08 | C07 | 76.9° | 180.0° |
| C10 | O09 | C08 | H081 | 162.8° | 60.0° |
| C10 | O09 | C08 | H082 | 43.4° | 60.0° |
| O09 | C10 | H102 | H101 | 121.6° | 120.1° |
| O09 | C10 | C11 | H112 | 151.3° | 60.0° |
| O09 | C10 | C11 | H111 | 90.4° | 60.0° |
| O09 | C08 | C07 | H081 | 120.3° | 119.9° |
| O09 | C08 | C07 | H082 | 120.3° | 120.0° |
| O09 | C08 | C07 | O06 | 46.5° | 65.0° |
| O09 | C08 | C07 | H071 | 166.7° | 175.0° |
| O09 | C08 | C07 | H072 | 73.8° | 55.0° |
| O09 | C08 | H081 | H082 | 119.1° | 120.0° |
| C08 | O09 | C10 | H102 | 47.7° | 60.0° |
| C08 | O09 | C10 | H101 | 73.4° | 60.1° |
| C08 | C07 | O06 | H071 | 120.3° | 119.9° |
| C08 | C07 | O06 | H072 | 120.3° | 120.1° |
| C08 | C07 | O06 | C05 | 156.5° | 179.9° |
| C08 | C07 | H071 | H072 | 119.3° | 120.1° |
| C07 | C08 | H081 | H082 | 119.1° | 120.1° |
| C07 | O06 | C05 | C04 | 88.4° | 180.0° |
| C07 | O06 | C05 | H052 | 31.1° | 60.1° |
| C07 | O06 | C05 | H051 | 152.2° | 60.0° |
| O06 | C07 | H071 | H072 | 119.2° | 120.0° |
| O06 | C07 | C08 | H081 | 73.8° | 175.0° |
| O06 | C07 | C08 | H082 | 166.8° | 54.9° |
| O06 | C05 | C04 | H052 | 119.4° | 119.9° |
| O06 | C05 | C04 | H051 | 119.4° | 120.0° |
| O06 | C05 | C04 | N03 | 170.1° | 65.0° |
| O06 | C05 | C04 | H042 | 69.6° | 174.9° |
| O06 | C05 | C04 | H041 | 49.8° | 55.0° |
| O06 | C05 | H052 | H051 | 121.6° | 120.1° |
| C05 | O06 | C07 | H071 | 36.2° | 60.0° |
| C05 | O06 | C07 | H072 | 83.3° | 60.0° |
| C05 | C04 | N03 | H042 | 120.3° | 120.0° |
| C05 | C04 | N03 | H041 | 120.3° | 120.0° |
| C05 | C04 | N03 | C02 | 92.2° | 180.0° |
| C05 | C04 | H042 | H041 | 119.1° | 119.9° |
| C04 | C05 | H052 | H051 | 121.6° | 120.0° |
| C05 | C04 | N03 | H031 | 87.7° | 0.0° |
| C04 | N03 | C02 | H031 | 180.0° | 180.0° |
| C04 | N03 | C02 | O01 | 1.2° | 0.0° |
| C04 | N03 | C02 | C16 | 179.9° | 179.7° |
| N03 | C04 | H042 | H041 | 119.1° | 120.1° |
| N03 | C04 | C05 | H052 | 50.7° | 175.1° |
| N03 | C04 | C05 | H051 | 70.4° | 55.0° |
| C32 | N31 | C30 | H311 | 121.2° | 179.9° |
| C32 | N31 | C30 | C33 | 20.9° | 179.9° |
| C32 | N31 | C30 | C29 | 160.0° | 0.0° |
| N31 | C32 | H323 | H322 | 120.0° | 120.0° |
| N31 | C32 | H323 | H321 | 120.0° | 119.9° |
| N31 | C32 | H322 | H321 | 120.0° | 120.1° |
| N03 | C02 | O01 | C16 | 179.0° | 179.7° |
| N03 | C02 | C16 | C45 | 31.4° | 179.8° |
| N03 | C02 | C16 | C17 | 149.1° | 0.6° |
| C02 | N03 | C04 | H042 | 147.5° | 60.0° |
| C02 | N03 | C04 | H041 | 28.1° | 60.0° |
| N31 | C30 | C33 | C29 | 179.1° | 180.0° |
| N31 | C30 | C33 | C34 | 179.8° | 179.7° |
| N31 | C30 | C29 | C28 | 179.3° | 178.9° |
| N31 | C30 | C29 | H291 | 0.8° | 1.1° |
| C30 | N31 | C32 | H323 | 180.0° | 60.1° |
| C30 | N31 | C32 | H322 | 60.0° | 59.9° |
| C30 | N31 | C32 | H321 | 60.0° | 180.0° |
| N31 | C30 | C33 | H331 | 0.2° | 0.4° |
| C37 | SI35 | C34 | C33 | 75.5° | 79.5° |
| C37 | SI35 | C34 | C36 | 122.8° | 122.0° |
| C37 | SI35 | C34 | C39 | 116.6° | 118.9° |
| C37 | SI35 | C36 | C39 | 120.4° | 122.1° |
| C37 | SI35 | C34 | C27 | 107.1° | 102.3° |
| C37 | SI35 | C39 | C40 | 74.9° | 79.9° |
| C37 | SI35 | C39 | C38 | 106.2° | 101.9° |
| C37 | SI35 | C36 | H362 | 180.0° | 60.0° |
| C37 | SI35 | C36 | H363 | 60.0° | 180.0° |
| C37 | SI35 | C36 | H361 | 60.0° | 60.0° |
| SI35 | C37 | H372 | H373 | 120.0° | 120.0° |
| SI35 | C37 | H372 | H371 | 120.0° | 120.0° |
| SI35 | C37 | H373 | H371 | 120.0° | 120.0° |
| O01 | C02 | C16 | C45 | 147.6° | 0.0° |
| O01 | C02 | C16 | C17 | 31.9° | 179.7° |
| O01 | C02 | N03 | H031 | 178.8° | 180.0° |
| C02 | C16 | C45 | C17 | 179.5° | 179.7° |
| C02 | C16 | C45 | C25 | 179.8° | 179.8° |
| C02 | C16 | C17 | C18 | 179.7° | 180.0° |
| C02 | C16 | C17 | H171 | 0.3° | 0.1° |
| C02 | C16 | C45 | H451 | 0.2° | 0.1° |
| C16 | C02 | N03 | H031 | 0.1° | 0.3° |
| C30 | C33 | C34 | H331 | 180.0° | 179.9° |
| C30 | C33 | C34 | SI35 | 179.5° | 176.0° |
| C30 | C33 | C34 | C27 | 1.9° | 2.2° |
| C33 | C30 | C29 | C28 | 1.7° | 1.2° |
| C33 | C30 | C29 | H291 | 178.3° | 178.9° |
| C33 | C30 | N31 | H311 | 100.3° | 0.0° |
| C34 | C33 | C30 | C29 | 1.1° | 0.2° |
| C33 | C34 | SI35 | C27 | 177.4° | 178.3° |
| C33 | C34 | SI35 | C36 | 47.3° | 42.6° |
| C33 | C34 | SI35 | C39 | 167.9° | 161.6° |
| C33 | C34 | C27 | C28 | 3.5° | 2.6° |
| C33 | C34 | C27 | C26 | 179.1° | 175.9° |
| C30 | C29 | C28 | H291 | 180.0° | 180.0° |
| C30 | C29 | C28 | C27 | 2.9° | 0.7° |
| C30 | C29 | C28 | H281 | 177.1° | 179.3° |
| C29 | C30 | C33 | H331 | 178.9° | 179.7° |
| C29 | C30 | N31 | H311 | 78.8° | 179.9° |
| C34 | SI35 | C36 | C39 | 118.5° | 115.8° |
| SI35 | C34 | C27 | C28 | 178.9° | 175.6° |
| SI35 | C34 | C27 | C26 | 3.4° | 5.9° |
| C34 | SI35 | C39 | C40 | 168.0° | 161.2° |
| C34 | SI35 | C39 | C38 | 10.9° | 17.0° |
| SI35 | C34 | C33 | H331 | 0.5° | 4.1° |
| C34 | SI35 | C36 | H362 | 59.0° | 62.1° |
| C34 | SI35 | C36 | H363 | 179.0° | 58.0° |
| C34 | SI35 | C36 | H361 | 61.0° | 177.9° |
| C34 | SI35 | C37 | H372 | 180.0° | 40.8° |
| C34 | SI35 | C37 | H373 | 60.0° | 160.8° |
| C34 | SI35 | C37 | H371 | 60.0° | 79.2° |
| C36 | SI35 | C34 | C27 | 130.1° | 135.7° |
| C36 | SI35 | C39 | C40 | 47.8° | 42.2° |
| C36 | SI35 | C39 | C38 | 131.2° | 136.0° |
| SI35 | C36 | H362 | H363 | 120.0° | 120.0° |
| SI35 | C36 | H362 | H361 | 120.0° | 120.0° |
| SI35 | C36 | H363 | H361 | 120.0° | 120.0° |
| C36 | SI35 | C37 | H372 | 58.1° | 81.3° |
| C36 | SI35 | C37 | H373 | 178.1° | 38.7° |
| C36 | SI35 | C37 | H371 | 61.8° | 158.7° |
| C39 | SI35 | C34 | C27 | 9.5° | 16.6° |
| SI35 | C39 | C40 | C38 | 179.0° | 178.1° |
| SI35 | C39 | C40 | C41 | 179.8° | 176.1° |
| SI35 | C39 | C38 | C26 | 0.7° | 5.1° |
| SI35 | C39 | C38 | C44 | 179.6° | 175.4° |
| C39 | SI35 | C36 | H362 | 59.5° | 177.9° |
| C39 | SI35 | C36 | H363 | 60.4° | 57.9° |
| C39 | SI35 | C36 | H361 | 179.6° | 62.1° |
| C39 | SI35 | C37 | H372 | 63.9° | 156.5° |
| C39 | SI35 | C37 | H373 | 56.1° | 83.5° |
| C39 | SI35 | C37 | H371 | 176.1° | 36.5° |
| SI35 | C39 | C40 | H401 | 0.2° | 4.0° |
| C16 | C45 | C25 | H451 | 180.0° | 179.7° |
| C45 | C16 | C17 | C18 | 0.2° | 0.3° |
| C16 | C45 | C25 | C26 | 179.6° | 179.8° |
| C16 | C45 | C25 | C19 | 0.7° | 0.5° |
| C45 | C16 | C17 | H171 | 179.8° | 179.7° |
| C17 | C16 | C45 | C25 | 0.3° | 0.6° |
| C16 | C17 | C18 | H171 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.6° | 0.0° |
| C16 | C17 | C18 | H181 | 179.4° | 180.0° |
| C17 | C16 | C45 | H451 | 179.7° | 179.7° |
| C34 | C27 | C28 | C29 | 4.1° | 1.2° |
| C34 | C27 | C28 | C26 | 176.1° | 178.6° |
| C34 | C27 | C26 | C25 | 104.9° | 92.5° |
| C34 | C27 | C26 | C38 | 15.5° | 32.2° |
| C34 | C27 | C26 | N21 | 138.6° | 154.5° |
| C34 | C27 | C28 | H281 | 175.9° | 178.9° |
| C27 | C34 | C33 | H331 | 178.1° | 177.7° |
| C29 | C28 | C27 | H281 | 180.0° | 180.0° |
| C29 | C28 | C27 | C26 | 179.8° | 177.4° |
| C45 | C25 | C26 | C27 | 59.0° | 65.7° |
| C45 | C25 | C26 | C19 | 179.0° | 179.7° |
| C45 | C25 | C26 | C38 | 64.6° | 65.1° |
| C45 | C25 | C26 | N21 | 178.2° | 179.7° |
| C45 | C25 | C19 | C18 | 1.1° | 0.3° |
| C45 | C25 | C19 | C20 | 178.3° | 179.7° |
| C28 | C27 | C26 | C25 | 71.2° | 86.0° |
| C28 | C27 | C26 | C38 | 168.3° | 149.3° |
| C28 | C27 | C26 | N21 | 45.2° | 27.0° |
| C27 | C28 | C29 | H291 | 177.0° | 179.4° |
| C27 | C26 | C25 | C38 | 123.6° | 130.8° |
| C27 | C26 | C25 | N21 | 119.2° | 114.6° |
| C27 | C26 | C25 | C19 | 122.0° | 114.6° |
| C27 | C26 | C38 | C39 | 14.0° | 31.7° |
| C27 | C26 | C38 | N21 | 123.6° | 122.3° |
| C27 | C26 | C38 | C44 | 167.0° | 148.8° |
| C27 | C26 | N21 | C20 | 120.7° | 115.4° |
| C27 | C26 | N21 | C22 | 59.5° | 64.7° |
| C26 | C27 | C28 | H281 | 0.2° | 2.5° |
| C17 | C18 | C19 | C25 | 1.0° | 0.0° |
| C17 | C18 | C19 | H181 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 177.5° | 180.0° |
| C25 | C26 | C38 | C39 | 107.4° | 93.0° |
| C25 | C26 | C38 | N21 | 115.0° | 113.0° |
| C26 | C25 | C19 | C18 | 179.7° | 180.0° |
| C25 | C26 | C38 | C44 | 71.6° | 86.5° |
| C26 | C25 | C19 | C20 | 2.6° | 0.0° |
| C25 | C26 | N21 | C20 | 2.1° | 0.0° |
| C25 | C26 | N21 | C22 | 178.2° | 180.0° |
| C26 | C25 | C45 | H451 | 0.4° | 0.1° |
| C19 | C25 | C26 | C38 | 114.4° | 114.6° |
| C19 | C25 | C26 | N21 | 2.8° | 0.0° |
| C25 | C19 | C18 | C20 | 176.4° | 180.0° |
| C25 | C19 | C20 | N21 | 1.4° | 0.0° |
| C25 | C19 | C20 | O24 | 179.7° | 179.9° |
| C25 | C19 | C18 | H181 | 178.9° | 180.0° |
| C19 | C25 | C45 | H451 | 179.3° | 179.7° |
| C39 | C40 | C41 | H401 | 180.0° | 179.9° |
| C40 | C39 | C38 | C26 | 179.6° | 176.7° |
| C40 | C39 | C38 | C44 | 1.5° | 2.7° |
| C39 | C40 | C41 | N42 | 179.6° | 179.9° |
| C39 | C40 | C41 | C43 | 0.4° | 0.1° |
| C38 | C39 | C40 | C41 | 0.8° | 2.0° |
| C39 | C38 | C26 | C44 | 179.1° | 179.5° |
| C39 | C38 | C26 | N21 | 137.6° | 154.0° |
| C39 | C38 | C44 | C43 | 1.5° | 1.6° |
| C38 | C39 | C40 | H401 | 179.1° | 177.9° |
| C39 | C38 | C44 | H441 | 178.5° | 178.4° |
| C40 | C41 | N42 | C43 | 180.0° | 180.0° |
| C40 | C41 | C43 | C44 | 0.4° | 1.0° |
| C40 | C41 | C43 | H431 | 179.6° | 179.0° |
| C40 | C41 | N42 | H421 | 180.0° | 0.0° |
| C40 | C41 | N42 | H422 | 60.0° | 180.0° |
| C38 | C26 | N21 | C20 | 114.1° | 115.3° |
| C38 | C26 | N21 | C22 | 65.7° | 64.6° |
| C26 | C38 | C44 | C43 | 179.4° | 177.9° |
| C26 | C38 | C44 | H441 | 0.6° | 2.1° |
| N21 | C26 | C38 | C44 | 43.3° | 26.5° |
| C26 | N21 | C20 | C19 | 0.5° | 0.0° |
| C26 | N21 | C20 | C22 | 179.8° | 179.9° |
| C26 | N21 | C20 | O24 | 178.4° | 179.9° |
| C26 | N21 | C22 | N23 | 101.0° | 86.5° |
| C18 | C19 | C20 | N21 | 178.2° | 179.9° |
| C18 | C19 | C20 | O24 | 2.9° | 0.1° |
| C19 | C18 | C17 | H171 | 179.4° | 180.0° |
| C38 | C44 | C43 | C41 | 0.9° | 0.3° |
| C38 | C44 | C43 | H441 | 180.0° | 180.0° |
| C38 | C44 | C43 | H431 | 179.1° | 179.7° |
| C19 | C20 | N21 | O24 | 178.9° | 180.0° |
| C19 | C20 | N21 | C22 | 179.7° | 180.0° |
| C20 | C19 | C18 | H181 | 2.5° | 0.1° |
| N42 | C41 | C43 | C44 | 179.5° | 179.0° |
| N42 | C41 | C40 | H401 | 0.4° | 0.2° |
| N42 | C41 | C43 | H431 | 0.5° | 1.0° |
| C41 | N42 | H421 | H422 | 120.0° | 180.0° |
| C41 | C43 | C44 | H431 | 180.0° | 180.0° |
| C43 | C41 | C40 | H401 | 179.6° | 179.8° |
| C41 | C43 | C44 | H441 | 179.1° | 179.8° |
| C43 | C41 | N42 | H421 | 0.0° | 180.0° |
| C43 | C41 | N42 | H422 | 120.0° | 0.0° |
| C20 | N21 | C22 | N23 | 79.3° | 93.6° |
| C22 | N21 | C20 | O24 | 1.4° | 0.0° |
| H042 | C04 | C05 | H052 | 171.0° | 55.0° |
| H042 | C04 | C05 | H051 | 49.9° | 65.0° |
| H042 | C04 | N03 | H031 | 32.5° | 120.0° |
| H041 | C04 | C05 | H052 | 69.6° | 64.9° |
| H041 | C04 | C05 | H051 | 169.3° | 175.0° |
| H041 | C04 | N03 | H031 | 151.9° | 120.0° |
| H071 | C07 | C08 | H081 | 46.4° | 55.1° |
| H071 | C07 | C08 | H082 | 73.0° | 65.0° |
| H072 | C07 | C08 | H081 | 166.0° | 64.9° |
| H072 | C07 | C08 | H082 | 46.6° | 175.0° |
| H102 | C10 | C11 | H112 | 31.9° | 60.0° |
| H102 | C10 | C11 | H111 | 150.1° | 180.0° |
| H101 | C10 | C11 | H112 | 89.2° | 180.0° |
| H101 | C10 | C11 | H111 | 29.0° | 60.0° |
| H112 | C11 | C12 | H122 | 177.4° | 180.0° |
| H112 | C11 | C12 | H121 | 62.1° | 60.0° |
| H111 | C11 | C12 | H122 | 59.1° | 60.0° |
| H111 | C11 | C12 | H121 | 179.7° | NaN° |
| H122 | C12 | C13 | H131 | 172.7° | 180.0° |
| H122 | C12 | C13 | H132 | 68.8° | 60.0° |
| H121 | C12 | C13 | H131 | 52.2° | 60.0° |
| H121 | C12 | C13 | H132 | 170.7° | 180.0° |
| H131 | C13 | C14 | H141 | 168.5° | 180.0° |
| H131 | C13 | C14 | H142 | 71.4° | 60.0° |
| H132 | C13 | C14 | H141 | 49.9° | 60.0° |
| H132 | C13 | C14 | H142 | 170.1° | 180.0° |
| H141 | C14 | C15 | H152 | 51.9° | 180.0° |
| H141 | C14 | C15 | H153 | 66.8° | 60.0° |
| H141 | C14 | C15 | CL1 | 172.6° | 60.0° |
| H142 | C14 | C15 | H152 | 68.3° | 60.0° |
| H142 | C14 | C15 | H153 | 173.0° | 180.0° |
| H142 | C14 | C15 | CL1 | 52.4° | 60.0° |
| H152 | C15 | H153 | CL1 | 118.0° | 119.9° |
| H171 | C17 | C18 | H181 | 0.6° | 0.1° |
| H281 | C28 | C29 | H291 | 3.0° | 0.7° |
| H323 | C32 | H322 | H321 | 120.0° | 120.0° |
| H323 | C32 | N31 | H311 | 58.9° | 120.1° |
| H322 | C32 | N31 | H311 | 61.2° | 120.0° |
| H321 | C32 | N31 | H311 | 178.8° | 0.2° |
| H362 | C36 | H363 | H361 | 120.0° | 120.0° |
| H372 | C37 | H373 | H371 | 120.0° | 120.0° |
| H431 | C43 | C44 | H441 | 0.9° | 0.3° |
