A1BYO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N02 | C01 | sing | 1.47Å | 1.45Å | |
| C03 | N02 | sing | 1.47Å | 1.45Å | |
| C04 | N02 | sing | 1.47Å | 1.45Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| N06 | C05 | sing | 1.47Å | 1.46Å | |
| C07 | N06 | sing | 1.47Å | 1.45Å | |
| C08 | N06 | sing | 1.40Å | 1.46Å | |
| C09 | C08 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C09 | sing | 1.39Å | 1.37Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| N14 | C13 | sing | 1.40Å | 1.45Å | |
| C15 | N14 | sing | 1.35Å | 1.45Å | |
| O16 | C15 | doub | 1.21Å | 1.18Å | |
| C17 | C15 | sing | 1.51Å | 1.41Å | |
| C18 | C17 | sing | 1.53Å | 1.44Å | |
| C12 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| N19 | C11 | sing | 1.40Å | 1.45Å | |
| C20 | N19 | sing | 1.38Å | 1.45Å | |
| N21 | C20 | doub | 1.32Å | 1.31Å | Aromatic |
| C22 | N21 | sing | 1.33Å | 1.31Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| N25 | C24 | doub | 1.33Å | 1.31Å | Aromatic |
| N26 | C24 | sing | 1.39Å | 1.46Å | |
| C27 | N26 | sing | 1.40Å | 1.45Å | |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.40Å | 1.42Å | Aromatic |
| C30 | C29 | doub | 1.41Å | 1.42Å | Aromatic |
| C31 | C30 | sing | 1.36Å | 1.39Å | Aromatic |
| C32 | C31 | doub | 1.39Å | 1.39Å | Aromatic |
| C33 | C32 | sing | 1.36Å | 1.39Å | Aromatic |
| C34 | C33 | doub | 1.41Å | 1.42Å | Aromatic |
| C35 | C34 | sing | 1.41Å | 1.42Å | Aromatic |
| C36 | C35 | doub | 1.36Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.40Å | 1.38Å | Aromatic |
| CL3 | C23 | sing | 1.74Å | 1.77Å | |
| C11 | C10 | doub | 1.39Å | 1.37Å | Aromatic |
| O38 | C10 | sing | 1.36Å | 1.39Å | |
| C39 | O38 | sing | 1.43Å | 1.39Å | |
| C08 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | N25 | sing | 1.32Å | 1.32Å | Aromatic |
| C27 | C36 | sing | 1.40Å | 1.39Å | Aromatic |
| C29 | C34 | sing | 1.42Å | 1.36Å | Aromatic |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | 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 | H073 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C39 | H393 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| N14 | H141 | sing | 0.97Å | 1.00Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å | |
| N26 | H261 | sing | 0.97Å | 1.00Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C18 | H3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C03 | 109.5° | 111.0° |
| C01 | N02 | C04 | 110.4° | 111.0° |
| N02 | C01 | H011 | 109.5° | 109.4° |
| N02 | C01 | H013 | 109.5° | 109.5° |
| N02 | C01 | H012 | 109.5° | 109.4° |
| C03 | N02 | C04 | 108.9° | 111.0° |
| N02 | C03 | H031 | 109.5° | 109.4° |
| N02 | C03 | H033 | 109.5° | 109.5° |
| N02 | C03 | H032 | 109.5° | 109.5° |
| N02 | C04 | C05 | 111.8° | 109.5° |
| N02 | C04 | H041 | 108.9° | 109.5° |
| N02 | C04 | H042 | 108.9° | 109.5° |
| C04 | C05 | N06 | 110.1° | 109.5° |
| C05 | C04 | H041 | 108.9° | 109.5° |
| C05 | C04 | H042 | 108.9° | 109.4° |
| C04 | C05 | H052 | 109.3° | 109.5° |
| C04 | C05 | H051 | 109.3° | 109.5° |
| C05 | N06 | C07 | 119.9° | 111.0° |
| C05 | N06 | C08 | 123.8° | 111.0° |
| N06 | C05 | H052 | 109.3° | 109.5° |
| N06 | C05 | H051 | 109.3° | 109.5° |
| C07 | N06 | C08 | 116.3° | 111.0° |
| N06 | C07 | H071 | 109.5° | 109.5° |
| N06 | C07 | H073 | 109.5° | 109.4° |
| N06 | C07 | H072 | 109.5° | 109.4° |
| N06 | C08 | C09 | 114.7° | 120.0° |
| N06 | C08 | C13 | 125.0° | 120.1° |
| C08 | C09 | C10 | 120.8° | 120.0° |
| C09 | C08 | C13 | 120.3° | 120.0° |
| C08 | C09 | H091 | 119.6° | 120.0° |
| C09 | C10 | C11 | 119.8° | 120.1° |
| C09 | C10 | O38 | 120.0° | 119.9° |
| C10 | C09 | H091 | 119.6° | 120.0° |
| C12 | C13 | N14 | 121.8° | 120.0° |
| C13 | C12 | C11 | 121.1° | 119.9° |
| C12 | C13 | C08 | 118.3° | 120.0° |
| C13 | C12 | H121 | 119.4° | 120.1° |
| C13 | N14 | C15 | 128.5° | 120.0° |
| N14 | C13 | C08 | 119.9° | 120.0° |
| C13 | N14 | H141 | 115.7° | 119.9° |
| N14 | C15 | O16 | 123.6° | 120.0° |
| N14 | C15 | C17 | 118.2° | 120.0° |
| C15 | N14 | H141 | 115.8° | 120.1° |
| O16 | C15 | C17 | 117.9° | 120.0° |
| C15 | C17 | C18 | 121.2° | 109.4° |
| C15 | C17 | H171 | 106.5° | 109.5° |
| C15 | C17 | H2 | 106.5° | 109.5° |
| C18 | C17 | H171 | 106.5° | 109.5° |
| C17 | C18 | H182 | 109.5° | 109.5° |
| C17 | C18 | H181 | 109.4° | 109.5° |
| C18 | C17 | H2 | 106.5° | 109.5° |
| C17 | C18 | H3 | 109.5° | 109.5° |
| C12 | C11 | N19 | 123.6° | 120.0° |
| C12 | C11 | C10 | 119.7° | 120.0° |
| C11 | C12 | H121 | 119.4° | 120.0° |
| C11 | N19 | C20 | 124.8° | 120.0° |
| N19 | C11 | C10 | 116.7° | 120.0° |
| C11 | N19 | H191 | 117.6° | 120.0° |
| N19 | C20 | N21 | 117.3° | 119.2° |
| N19 | C20 | N25 | 120.9° | 119.2° |
| C20 | N19 | H191 | 117.6° | 120.0° |
| C20 | N21 | C22 | 119.7° | 120.9° |
| N21 | C20 | N25 | 121.8° | 121.6° |
| N21 | C22 | C23 | 120.1° | 119.3° |
| N21 | C22 | H221 | 120.0° | 120.4° |
| C22 | C23 | C24 | 118.3° | 118.4° |
| C22 | C23 | CL3 | 121.7° | 120.8° |
| C23 | C22 | H221 | 120.0° | 120.3° |
| N25 | C24 | N26 | 123.6° | 120.5° |
| N25 | C24 | C23 | 118.2° | 119.0° |
| C24 | N25 | C20 | 121.9° | 120.6° |
| C24 | N26 | C27 | 126.6° | 120.0° |
| N26 | C24 | C23 | 118.2° | 120.5° |
| C24 | N26 | H261 | 116.7° | 120.0° |
| N26 | C27 | C28 | 122.9° | 119.7° |
| N26 | C27 | C36 | 117.5° | 119.7° |
| C27 | N26 | H261 | 116.7° | 120.0° |
| C27 | C28 | C29 | 119.6° | 119.5° |
| C28 | C27 | C36 | 119.6° | 120.7° |
| C27 | C28 | H281 | 120.2° | 120.2° |
| C28 | C29 | C30 | 119.7° | 121.2° |
| C28 | C29 | C34 | 120.4° | 119.5° |
| C29 | C28 | H281 | 120.2° | 120.2° |
| C29 | C30 | C31 | 119.5° | 119.7° |
| C30 | C29 | C34 | 119.8° | 119.4° |
| C29 | C30 | H301 | 120.2° | 120.2° |
| C30 | C31 | C32 | 120.6° | 120.9° |
| C31 | C30 | H301 | 120.2° | 120.2° |
| C30 | C31 | H311 | 119.7° | 119.5° |
| C31 | C32 | C33 | 119.8° | 121.1° |
| C32 | C31 | H311 | 119.7° | 119.6° |
| C31 | C32 | H321 | 120.1° | 119.5° |
| C32 | C33 | C34 | 119.5° | 119.7° |
| C33 | C32 | H321 | 120.1° | 119.5° |
| C32 | C33 | H331 | 120.2° | 120.2° |
| C33 | C34 | C35 | 119.3° | 121.1° |
| C33 | C34 | C29 | 120.7° | 119.3° |
| C34 | C33 | H331 | 120.3° | 120.1° |
| C34 | C35 | C36 | 119.4° | 119.9° |
| C35 | C34 | C29 | 120.0° | 119.6° |
| C34 | C35 | H351 | 120.3° | 120.1° |
| C35 | C36 | C27 | 121.1° | 120.9° |
| C36 | C35 | H351 | 120.3° | 120.0° |
| C35 | C36 | H361 | 119.5° | 119.6° |
| C24 | C23 | CL3 | 120.0° | 120.8° |
| C11 | C10 | O38 | 120.1° | 120.0° |
| C10 | O38 | C39 | 112.7° | 117.1° |
| O38 | C39 | H393 | 109.5° | 109.5° |
| O38 | C39 | H391 | 109.4° | 109.5° |
| O38 | C39 | H392 | 109.4° | 109.5° |
| C27 | C36 | H361 | 119.5° | 119.5° |
| H011 | C01 | H013 | 109.4° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H031 | C03 | H033 | 109.5° | 109.5° |
| H031 | C03 | H032 | 109.5° | 109.5° |
| H033 | C03 | H032 | 109.4° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.5° |
| H052 | C05 | H051 | 109.5° | 109.4° |
| H071 | C07 | H073 | 109.4° | 109.5° |
| H071 | C07 | H072 | 109.4° | 109.5° |
| H073 | C07 | H072 | 109.5° | 109.5° |
| H171 | C17 | H2 | 109.5° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H182 | C18 | H3 | 109.4° | 109.5° |
| H181 | C18 | H3 | 109.4° | 109.4° |
| H393 | C39 | H391 | 109.5° | 109.5° |
| H393 | C39 | H392 | 109.4° | 109.4° |
| H391 | C39 | H392 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C03 | C04 | 120.8° | 123.9° |
| C01 | N02 | C04 | C05 | 58.1° | 170.0° |
| N02 | C01 | H011 | H013 | 120.0° | 120.0° |
| N02 | C01 | H011 | H012 | 120.0° | 120.0° |
| N02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C01 | N02 | C03 | H031 | 180.0° | 176.1° |
| C01 | N02 | C03 | H033 | 60.0° | 56.1° |
| C01 | N02 | C03 | H032 | 60.0° | 64.0° |
| C01 | N02 | C04 | H041 | 62.2° | 50.0° |
| C01 | N02 | C04 | H042 | 178.5° | 70.0° |
| C03 | N02 | C04 | C05 | 178.4° | 66.1° |
| C03 | N02 | C01 | H011 | 180.0° | 56.1° |
| C03 | N02 | C01 | H013 | 60.0° | 176.0° |
| C03 | N02 | C01 | H012 | 60.0° | 63.9° |
| N02 | C03 | H031 | H033 | 120.0° | 120.0° |
| N02 | C03 | H031 | H032 | 120.0° | 120.0° |
| N02 | C03 | H033 | H032 | 120.0° | 120.0° |
| C03 | N02 | C04 | H041 | 58.1° | 174.0° |
| C03 | N02 | C04 | H042 | 61.2° | 53.9° |
| N02 | C04 | C05 | H041 | 120.4° | 120.0° |
| N02 | C04 | C05 | H042 | 120.3° | 120.0° |
| N02 | C04 | C05 | N06 | 71.6° | 180.0° |
| C04 | N02 | C01 | H011 | 60.1° | 180.0° |
| C04 | N02 | C01 | H013 | 179.9° | 60.0° |
| C04 | N02 | C01 | H012 | 59.9° | 60.0° |
| C04 | N02 | C03 | H031 | 59.2° | 60.0° |
| C04 | N02 | C03 | H033 | 60.8° | 180.0° |
| C04 | N02 | C03 | H032 | 179.2° | 60.0° |
| N02 | C04 | H041 | H042 | 119.0° | 120.1° |
| N02 | C04 | C05 | H052 | 48.5° | 60.0° |
| N02 | C04 | C05 | H051 | 168.3° | 60.0° |
| C04 | C05 | N06 | H052 | 120.1° | 120.0° |
| C04 | C05 | N06 | H051 | 120.1° | 120.0° |
| C04 | C05 | N06 | C07 | 21.8° | 66.1° |
| C04 | C05 | N06 | C08 | 160.5° | 170.0° |
| C05 | C04 | H041 | H042 | 118.9° | 120.0° |
| C04 | C05 | H052 | H051 | 119.7° | 120.0° |
| C05 | N06 | C07 | C08 | 177.8° | 124.0° |
| C05 | N06 | C08 | C09 | 135.0° | 59.8° |
| C05 | N06 | C08 | C13 | 46.0° | 120.0° |
| N06 | C05 | C04 | H041 | 168.1° | 60.0° |
| N06 | C05 | C04 | H042 | 48.8° | 60.0° |
| N06 | C05 | H052 | H051 | 119.7° | 120.0° |
| C05 | N06 | C07 | H071 | 180.0° | 176.0° |
| C05 | N06 | C07 | H073 | 60.0° | 56.0° |
| C05 | N06 | C07 | H072 | 60.0° | 63.9° |
| C07 | N06 | C08 | C09 | 42.7° | 64.2° |
| C07 | N06 | C08 | C13 | 136.2° | 116.0° |
| C07 | N06 | C05 | H052 | 141.9° | 54.0° |
| C07 | N06 | C05 | H051 | 98.3° | 173.9° |
| N06 | C07 | H071 | H073 | 120.0° | 120.0° |
| N06 | C07 | H071 | H072 | 120.0° | 120.0° |
| N06 | C07 | H073 | H072 | 120.0° | 120.0° |
| N06 | C08 | C09 | C13 | 179.0° | 179.8° |
| N06 | C08 | C09 | C10 | 179.6° | 180.0° |
| N06 | C08 | C13 | C12 | 179.3° | 179.7° |
| N06 | C08 | C13 | N14 | 0.7° | 0.0° |
| C08 | N06 | C05 | H052 | 40.4° | 70.0° |
| C08 | N06 | C05 | H051 | 79.4° | 50.0° |
| C08 | N06 | C07 | H071 | 2.2° | 60.0° |
| C08 | N06 | C07 | H073 | 117.8° | 180.0° |
| C08 | N06 | C07 | H072 | 122.2° | 60.0° |
| N06 | C08 | C09 | H091 | 0.4° | 0.0° |
| C08 | C09 | C10 | H091 | 180.0° | 179.9° |
| C09 | C08 | C13 | C12 | 0.5° | 0.5° |
| C09 | C08 | C13 | N14 | 179.6° | 179.7° |
| C08 | C09 | C10 | C11 | 0.7° | 0.0° |
| C08 | C09 | C10 | O38 | 179.7° | 180.0° |
| C09 | C10 | C11 | C12 | 0.7° | 0.1° |
| C09 | C10 | C11 | N19 | 179.6° | 180.0° |
| C09 | C10 | C11 | O38 | 179.6° | 180.0° |
| C09 | C10 | O38 | C39 | 2.6° | 0.0° |
| C10 | C09 | C08 | C13 | 0.6° | 0.3° |
| C12 | C13 | N14 | C08 | 180.0° | 179.8° |
| C12 | C13 | N14 | C15 | 16.1° | 21.0° |
| C13 | C12 | C11 | H121 | 180.0° | 179.7° |
| C13 | C12 | C11 | N19 | 179.4° | 179.8° |
| C13 | C12 | C11 | C10 | 0.6° | 0.3° |
| C12 | C13 | N14 | H141 | 163.9° | 158.9° |
| C13 | N14 | C15 | H141 | 180.0° | 179.9° |
| C13 | N14 | C15 | O16 | 0.6° | 5.1° |
| C13 | N14 | C15 | C17 | 173.9° | 174.9° |
| N14 | C13 | C12 | C11 | 179.6° | 179.7° |
| N14 | C13 | C12 | H121 | 0.4° | 0.0° |
| N14 | C15 | O16 | C17 | 174.5° | 179.9° |
| N14 | C15 | C17 | C18 | 133.4° | 180.0° |
| C15 | N14 | C13 | C08 | 163.9° | 159.2° |
| N14 | C15 | C17 | H171 | 105.0° | 60.0° |
| N14 | C15 | C17 | H2 | 11.8° | 60.1° |
| O16 | C15 | C17 | C18 | 41.4° | 0.1° |
| O16 | C15 | C17 | H171 | 80.3° | 119.9° |
| O16 | C15 | N14 | H141 | 179.4° | 174.9° |
| O16 | C15 | C17 | H2 | 163.0° | 120.0° |
| C15 | C17 | C18 | H171 | 121.6° | 120.0° |
| C15 | C17 | C18 | H2 | 121.6° | 120.0° |
| C15 | C17 | H171 | H2 | 114.7° | 120.0° |
| C15 | C17 | C18 | H182 | 180.0° | 60.0° |
| C15 | C17 | C18 | H181 | 60.0° | 60.1° |
| C17 | C15 | N14 | H141 | 6.1° | 5.0° |
| C15 | C17 | C18 | H3 | 60.0° | 180.0° |
| C18 | C17 | H171 | H2 | 114.7° | 120.0° |
| C17 | C18 | H182 | H181 | 120.0° | 120.0° |
| C17 | C18 | H182 | H3 | 120.0° | 120.0° |
| C17 | C18 | H181 | H3 | 120.0° | 120.0° |
| C12 | C11 | N19 | C10 | 178.9° | 179.9° |
| C12 | C11 | N19 | C20 | 36.2° | 26.4° |
| C12 | C11 | C10 | O38 | 179.7° | 179.9° |
| C11 | C12 | C13 | C08 | 0.5° | 0.5° |
| C12 | C11 | N19 | H191 | 143.8° | 153.6° |
| C11 | N19 | C20 | H191 | 180.0° | 180.0° |
| C11 | N19 | C20 | N21 | 179.6° | 6.2° |
| N19 | C11 | C10 | O38 | 0.8° | 0.0° |
| C11 | N19 | C20 | N25 | 0.3° | 174.1° |
| N19 | C11 | C12 | H121 | 0.6° | 0.0° |
| N19 | C20 | N21 | N25 | 179.9° | 179.7° |
| N19 | C20 | N21 | C22 | 179.7° | 180.0° |
| N19 | C20 | N25 | C24 | 179.7° | 180.0° |
| C20 | N19 | C11 | C10 | 144.9° | 153.5° |
| C20 | N21 | C22 | C23 | 0.4° | 0.0° |
| N21 | C20 | N25 | C24 | 0.2° | 0.3° |
| C20 | N21 | C22 | H221 | 179.7° | 180.0° |
| N21 | C20 | N19 | H191 | 0.4° | 173.8° |
| N21 | C22 | C23 | H221 | 180.0° | 180.0° |
| N21 | C22 | C23 | C24 | 0.4° | 0.2° |
| N21 | C22 | C23 | CL3 | 179.9° | 180.0° |
| C22 | N21 | C20 | N25 | 0.3° | 0.3° |
| C22 | C23 | C24 | N25 | 0.3° | 0.2° |
| C22 | C23 | C24 | N26 | 180.0° | 180.0° |
| C22 | C23 | C24 | CL3 | 179.6° | 179.7° |
| N25 | C24 | N26 | C23 | 179.7° | 179.8° |
| N25 | C24 | N26 | C27 | 5.2° | 5.1° |
| N25 | C24 | C23 | CL3 | 179.9° | 180.0° |
| N25 | C24 | N26 | H261 | 174.8° | 174.9° |
| C24 | N26 | C27 | H261 | 180.0° | 180.0° |
| C24 | N26 | C27 | C28 | 37.1° | 143.0° |
| N26 | C24 | C23 | CL3 | 0.4° | 0.3° |
| N26 | C24 | N25 | C20 | 180.0° | 179.8° |
| C24 | N26 | C27 | C36 | 144.4° | 37.2° |
| N26 | C27 | C28 | C36 | 178.4° | 179.8° |
| N26 | C27 | C28 | C29 | 179.5° | 180.0° |
| N26 | C27 | C36 | C35 | 179.5° | 179.7° |
| C27 | N26 | C24 | C23 | 175.1° | 175.2° |
| N26 | C27 | C28 | H281 | 0.5° | 0.0° |
| N26 | C27 | C36 | H361 | 0.6° | 0.0° |
| C27 | C28 | C29 | H281 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 179.6° | 179.9° |
| C28 | C27 | C36 | C35 | 1.0° | 0.5° |
| C27 | C28 | C29 | C34 | 0.8° | 0.0° |
| C28 | C27 | C36 | H361 | 179.1° | 179.7° |
| C28 | C27 | N26 | H261 | 142.8° | 37.0° |
| C28 | C29 | C30 | C34 | 179.6° | 180.0° |
| C28 | C29 | C30 | C31 | 179.9° | 180.0° |
| C28 | C29 | C34 | C33 | 179.7° | 180.0° |
| C28 | C29 | C34 | C35 | 0.3° | 0.0° |
| C29 | C28 | C27 | C36 | 1.1° | 0.2° |
| C28 | C29 | C30 | H301 | 0.1° | 0.1° |
| C29 | C30 | C31 | H301 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.6° | 0.0° |
| C30 | C29 | C34 | C33 | 0.1° | 0.0° |
| C30 | C29 | C34 | C35 | 179.9° | 179.9° |
| C30 | C29 | C28 | H281 | 0.4° | 0.0° |
| C29 | C30 | C31 | H311 | 179.5° | 179.9° |
| C30 | C31 | C32 | H311 | 180.0° | 179.9° |
| C30 | C31 | C32 | C33 | 0.3° | 0.0° |
| C31 | C30 | C29 | C34 | 0.5° | 0.0° |
| C30 | C31 | C32 | H321 | 179.8° | 180.0° |
| C31 | C32 | C33 | H321 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.1° | 0.0° |
| C32 | C31 | C30 | H301 | 179.4° | 179.9° |
| C31 | C32 | C33 | H331 | 179.9° | 180.0° |
| C32 | C33 | C34 | H331 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 179.8° | 180.0° |
| C32 | C33 | C34 | C29 | 0.2° | 0.0° |
| C33 | C32 | C31 | H311 | 179.8° | 179.9° |
| C33 | C34 | C35 | C29 | 179.9° | 179.9° |
| C33 | C34 | C35 | C36 | 179.8° | 179.7° |
| C34 | C33 | C32 | H321 | 179.9° | 180.0° |
| C33 | C34 | C35 | H351 | 0.2° | 0.0° |
| C34 | C35 | C36 | H351 | 180.0° | 179.7° |
| C34 | C35 | C36 | C27 | 0.5° | 0.5° |
| C35 | C34 | C33 | H331 | 0.2° | 0.1° |
| C34 | C35 | C36 | H361 | 179.5° | 179.7° |
| C35 | C36 | C27 | H361 | 180.0° | 179.7° |
| C36 | C35 | C34 | C29 | 0.1° | 0.2° |
| C23 | C24 | N25 | C20 | 0.2° | 0.0° |
| C24 | C23 | C22 | H221 | 179.7° | 179.8° |
| C23 | C24 | N26 | H261 | 5.0° | 4.8° |
| CL3 | C23 | C22 | H221 | 0.1° | 0.0° |
| C11 | C10 | O38 | C39 | 177.8° | 180.0° |
| C11 | C10 | C09 | H091 | 179.3° | 180.0° |
| C10 | C11 | C12 | H121 | 179.5° | 180.0° |
| C10 | C11 | N19 | H191 | 35.0° | 26.5° |
| O38 | C10 | C09 | H091 | 0.3° | 0.0° |
| C10 | O38 | C39 | H393 | 180.0° | 60.0° |
| C10 | O38 | C39 | H391 | 60.0° | 60.0° |
| C10 | O38 | C39 | H392 | 60.0° | 180.0° |
| O38 | C39 | H393 | H391 | 120.0° | 120.0° |
| O38 | C39 | H393 | H392 | 120.0° | 120.0° |
| O38 | C39 | H391 | H392 | 120.0° | 120.1° |
| C13 | C08 | C09 | H091 | 179.4° | 179.8° |
| C08 | C13 | C12 | H121 | 179.6° | 179.7° |
| C08 | C13 | N14 | H141 | 16.1° | 20.9° |
| N25 | C20 | N19 | H191 | 179.7° | 6.0° |
| C36 | C27 | C28 | H281 | 178.9° | 179.8° |
| C27 | C36 | C35 | H351 | 179.6° | 179.8° |
| C36 | C27 | N26 | H261 | 35.6° | 142.8° |
| C34 | C29 | C28 | H281 | 179.2° | 180.0° |
| C34 | C29 | C30 | H301 | 179.5° | 179.9° |
| C29 | C34 | C33 | H331 | 179.8° | 180.0° |
| C29 | C34 | C35 | H351 | 179.9° | 180.0° |
| H011 | C01 | H013 | H012 | 120.0° | 120.1° |
| H031 | C03 | H033 | H032 | 120.0° | 120.0° |
| H041 | C04 | C05 | H052 | 71.9° | 60.0° |
| H041 | C04 | C05 | H051 | 48.0° | 179.9° |
| H042 | C04 | C05 | H052 | 168.8° | 180.0° |
| H042 | C04 | C05 | H051 | 71.3° | 60.0° |
| H071 | C07 | H073 | H072 | 119.9° | 120.0° |
| H171 | C17 | C18 | H182 | 58.4° | 180.0° |
| H171 | C17 | C18 | H181 | 178.4° | 59.9° |
| H171 | C17 | C18 | H3 | 61.6° | 60.0° |
| H182 | C18 | H181 | H3 | 120.0° | 120.0° |
| H182 | C18 | C17 | H2 | 58.4° | 60.0° |
| H181 | C18 | C17 | H2 | 61.7° | 180.0° |
| H301 | C30 | C31 | H311 | 0.5° | 0.0° |
| H311 | C31 | C32 | H321 | 0.2° | 0.1° |
| H321 | C32 | C33 | H331 | 0.1° | 0.0° |
| H351 | C35 | C36 | H361 | 0.4° | 0.0° |
| H393 | C39 | H391 | H392 | 120.0° | 119.9° |
| H2 | C17 | C18 | H3 | 178.4° | 60.0° |
