D0Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | S02 | doub | 1.42Å | 1.46Å | |
| C01 | S02 | sing | 1.81Å | 1.81Å | |
| S02 | O03 | doub | 1.42Å | 1.45Å | |
| S02 | N05 | sing | 1.66Å | 1.68Å | |
| N05 | C06 | sing | 1.46Å | 1.43Å | |
| N11 | C10 | sing | 1.47Å | 1.45Å | |
| O13 | C12 | doub | 1.21Å | 1.17Å | |
| C06 | C12 | sing | 1.51Å | 1.54Å | |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| C10 | C09 | sing | 1.53Å | 1.53Å | |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C08 | C07 | sing | 1.53Å | 1.55Å | |
| C12 | N14 | sing | 1.35Å | 1.45Å | |
| N14 | C15 | sing | 1.46Å | 1.45Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| O40 | C38 | doub | 1.21Å | 1.28Å | |
| C16 | C38 | sing | 1.51Å | 1.50Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C38 | O39 | sing | 1.34Å | 1.26Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C18 | C19 | sing | 1.54Å | 1.68Å | |
| C18 | C22 | sing | 1.55Å | 1.41Å | |
| C18 | C23 | sing | 1.51Å | 1.51Å | |
| O24 | C23 | doub | 1.21Å | 1.22Å | |
| C19 | C20 | sing | 1.54Å | 1.40Å | |
| C22 | C21 | sing | 1.55Å | 1.60Å | |
| C20 | C21 | sing | 1.54Å | 1.59Å | |
| C23 | N25 | sing | 1.35Å | 1.44Å | |
| N25 | C26 | sing | 1.47Å | 1.46Å | |
| C26 | C35 | sing | 1.51Å | 1.52Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| O37 | C35 | doub | 1.21Å | 1.27Å | |
| C35 | O36 | sing | 1.34Å | 1.28Å | |
| C27 | C28 | sing | 1.51Å | 1.53Å | |
| C29 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C31 | doub | 1.39Å | 1.38Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C32 | sing | 1.39Å | 1.39Å | Aromatic |
| C31 | O34 | sing | 1.36Å | 1.40Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| N11 | H111 | sing | 1.01Å | 1.00Å | |
| N11 | H112 | sing | 1.01Å | 1.00Å | |
| N14 | H141 | sing | 0.97Å | 1.00Å | |
| N25 | H251 | sing | 0.97Å | 1.00Å | |
| O34 | H341 | sing | 0.97Å | 0.95Å | |
| O36 | H2 | sing | 0.97Å | 0.95Å | |
| O39 | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | S02 | C01 | 108.1° | 110.5° |
| O04 | S02 | O03 | 111.5° | 121.0° |
| O04 | S02 | N05 | 107.0° | 104.3° |
| C01 | S02 | O03 | 114.0° | 110.6° |
| C01 | S02 | N05 | 108.2° | 104.5° |
| S02 | C01 | H011 | 109.5° | 109.5° |
| S02 | C01 | H012 | 109.5° | 109.5° |
| S02 | C01 | H013 | 109.5° | 109.5° |
| O03 | S02 | N05 | 107.8° | 104.3° |
| S02 | N05 | C06 | 118.6° | 120.0° |
| S02 | N05 | H051 | 107.1° | 120.0° |
| N05 | C06 | C12 | 108.5° | 109.5° |
| N05 | C06 | C07 | 110.1° | 109.5° |
| N05 | C06 | H061 | 112.1° | 109.5° |
| C06 | N05 | H051 | 107.1° | 120.0° |
| N11 | C10 | C09 | 111.8° | 109.5° |
| N11 | C10 | H101 | 108.9° | 109.5° |
| N11 | C10 | H102 | 108.9° | 109.5° |
| C10 | N11 | H111 | 109.5° | 111.0° |
| C10 | N11 | H112 | 109.5° | 111.0° |
| O13 | C12 | C06 | 121.7° | 120.0° |
| O13 | C12 | N14 | 121.6° | 120.0° |
| C12 | C06 | C07 | 104.7° | 109.4° |
| C06 | C12 | N14 | 116.7° | 120.0° |
| C12 | C06 | H061 | 110.6° | 109.5° |
| C06 | C07 | C08 | 115.2° | 109.5° |
| C07 | C06 | H061 | 110.6° | 109.5° |
| C06 | C07 | H072 | 108.0° | 109.5° |
| C06 | C07 | H071 | 108.0° | 109.5° |
| C10 | C09 | C08 | 108.9° | 109.5° |
| C10 | C09 | H092 | 109.6° | 109.5° |
| C10 | C09 | H091 | 109.6° | 109.4° |
| C09 | C10 | H101 | 108.9° | 109.4° |
| C09 | C10 | H102 | 108.9° | 109.4° |
| C09 | C08 | C07 | 111.8° | 109.5° |
| C09 | C08 | H081 | 108.9° | 109.4° |
| C09 | C08 | H082 | 108.9° | 109.5° |
| C08 | C09 | H092 | 109.6° | 109.5° |
| C08 | C09 | H091 | 109.6° | 109.5° |
| C08 | C07 | H072 | 108.0° | 109.4° |
| C08 | C07 | H071 | 108.0° | 109.5° |
| C07 | C08 | H081 | 108.9° | 109.5° |
| C07 | C08 | H082 | 108.9° | 109.5° |
| C12 | N14 | C15 | 120.6° | 120.0° |
| C12 | N14 | H141 | 119.7° | 120.0° |
| N14 | C15 | C16 | 108.7° | 109.5° |
| N14 | C15 | H152 | 109.6° | 109.5° |
| N14 | C15 | H151 | 109.7° | 109.5° |
| C15 | N14 | H141 | 119.7° | 120.0° |
| C15 | C16 | C38 | 109.2° | 109.5° |
| C15 | C16 | C17 | 107.4° | 109.5° |
| C16 | C15 | H152 | 109.7° | 109.4° |
| C16 | C15 | H151 | 109.7° | 109.5° |
| C15 | C16 | H161 | 108.6° | 109.5° |
| O40 | C38 | C16 | 119.5° | 120.0° |
| O40 | C38 | O39 | 120.5° | 120.0° |
| C38 | C16 | C17 | 113.6° | 109.4° |
| C16 | C38 | O39 | 120.0° | 120.1° |
| C38 | C16 | H161 | 109.2° | 109.5° |
| C16 | C17 | C18 | 117.9° | 109.5° |
| C17 | C16 | H161 | 108.7° | 109.5° |
| C16 | C17 | H172 | 107.3° | 109.5° |
| C16 | C17 | H171 | 107.3° | 109.5° |
| C38 | O39 | H3 | 109.5° | 117.1° |
| C17 | C18 | C19 | 108.4° | 110.5° |
| C17 | C18 | C22 | 114.4° | 110.5° |
| C17 | C18 | C23 | 108.0° | 110.4° |
| C18 | C17 | H172 | 107.3° | 109.5° |
| C18 | C17 | H171 | 107.3° | 109.4° |
| C19 | C18 | C22 | 105.6° | 104.2° |
| C19 | C18 | C23 | 104.2° | 110.5° |
| C18 | C19 | C20 | 104.8° | 106.6° |
| C18 | C19 | H191 | 110.6° | 110.1° |
| C18 | C19 | H192 | 110.6° | 110.0° |
| C22 | C18 | C23 | 115.6° | 110.6° |
| C18 | C22 | C21 | 108.0° | 102.7° |
| C18 | C22 | H221 | 109.9° | 110.8° |
| C18 | C22 | H222 | 109.8° | 110.8° |
| C18 | C23 | O24 | 124.0° | 120.0° |
| C18 | C23 | N25 | 112.7° | 120.0° |
| O24 | C23 | N25 | 123.2° | 120.0° |
| C19 | C20 | C21 | 106.2° | 106.6° |
| C20 | C19 | H191 | 110.6° | 110.0° |
| C20 | C19 | H192 | 110.6° | 110.0° |
| C19 | C20 | H201 | 110.3° | 110.0° |
| C19 | C20 | H202 | 110.3° | 110.0° |
| C22 | C21 | C20 | 99.1° | 104.2° |
| C22 | C21 | H212 | 112.0° | 110.5° |
| C22 | C21 | H211 | 112.0° | 110.6° |
| C21 | C22 | H221 | 109.9° | 110.8° |
| C21 | C22 | H222 | 109.9° | 110.8° |
| C21 | C20 | H201 | 110.3° | 110.1° |
| C21 | C20 | H202 | 110.3° | 110.0° |
| C20 | C21 | H212 | 112.0° | 110.4° |
| C20 | C21 | H211 | 112.0° | 110.5° |
| C23 | N25 | C26 | 121.2° | 120.0° |
| C23 | N25 | H251 | 119.4° | 120.0° |
| N25 | C26 | C35 | 108.6° | 109.4° |
| N25 | C26 | C27 | 109.9° | 109.5° |
| N25 | C26 | H261 | 109.6° | 109.5° |
| C26 | N25 | H251 | 119.4° | 120.0° |
| C35 | C26 | C27 | 111.1° | 109.5° |
| C26 | C35 | O37 | 120.6° | 120.0° |
| C26 | C35 | O36 | 118.3° | 120.0° |
| C35 | C26 | H261 | 108.8° | 109.5° |
| C26 | C27 | C28 | 115.0° | 109.4° |
| C27 | C26 | H261 | 108.7° | 109.5° |
| C26 | C27 | H271 | 108.1° | 109.5° |
| C26 | C27 | H272 | 108.1° | 109.5° |
| O37 | C35 | O36 | 121.1° | 120.1° |
| C35 | O36 | H2 | 109.5° | 116.9° |
| C27 | C28 | C29 | 117.8° | 119.9° |
| C27 | C28 | C33 | 120.7° | 120.0° |
| C28 | C27 | H271 | 108.1° | 109.5° |
| C28 | C27 | H272 | 108.1° | 109.5° |
| C28 | C29 | C30 | 119.2° | 120.0° |
| C29 | C28 | C33 | 121.5° | 120.1° |
| C28 | C29 | H291 | 120.4° | 120.0° |
| C29 | C30 | C31 | 119.1° | 120.0° |
| C30 | C29 | H291 | 120.4° | 120.0° |
| C29 | C30 | H301 | 120.4° | 120.0° |
| C28 | C33 | C32 | 119.3° | 120.1° |
| C28 | C33 | H331 | 120.3° | 120.0° |
| C30 | C31 | C32 | 121.9° | 119.9° |
| C30 | C31 | O34 | 118.6° | 120.1° |
| C31 | C30 | H301 | 120.4° | 120.0° |
| C33 | C32 | C31 | 118.9° | 119.9° |
| C33 | C32 | H321 | 120.5° | 120.1° |
| C32 | C33 | H331 | 120.3° | 119.9° |
| C32 | C31 | O34 | 119.6° | 120.1° |
| C31 | C32 | H321 | 120.5° | 120.0° |
| C31 | O34 | H341 | 109.5° | 114.0° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.4° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.4° |
| H072 | C07 | H071 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H092 | C09 | H091 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H152 | C15 | H151 | 109.5° | 109.4° |
| H172 | C17 | H171 | 109.4° | 109.5° |
| H191 | C19 | H192 | 109.5° | 110.0° |
| H201 | C20 | H202 | 109.4° | 110.1° |
| H212 | C21 | H211 | 109.5° | 110.5° |
| H221 | C22 | H222 | 109.4° | 110.8° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H111 | N11 | H112 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | S02 | C01 | O03 | 124.5° | 136.7° |
| O04 | S02 | C01 | N05 | 115.6° | 111.6° |
| O04 | S02 | O03 | N05 | 117.2° | 116.7° |
| O04 | S02 | N05 | C06 | 156.0° | 179.2° |
| O04 | S02 | C01 | H011 | 180.0° | 68.4° |
| O04 | S02 | C01 | H012 | 60.0° | 171.6° |
| O04 | S02 | C01 | H013 | 60.0° | 51.6° |
| O04 | S02 | N05 | H051 | 34.7° | 0.8° |
| C01 | S02 | O03 | N05 | 120.1° | 111.8° |
| C01 | S02 | N05 | C06 | 87.7° | 64.8° |
| S02 | C01 | H011 | H012 | 120.0° | 120.0° |
| S02 | C01 | H011 | H013 | 120.0° | 120.0° |
| S02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | S02 | N05 | H051 | 151.0° | 115.3° |
| O03 | S02 | N05 | C06 | 36.0° | 51.4° |
| O03 | S02 | C01 | H011 | 55.4° | 68.4° |
| O03 | S02 | C01 | H012 | 175.4° | 51.7° |
| O03 | S02 | C01 | H013 | 64.6° | 171.6° |
| O03 | S02 | N05 | H051 | 85.3° | 128.6° |
| S02 | N05 | C06 | H051 | 121.3° | 180.0° |
| S02 | N05 | C06 | C12 | 89.4° | 95.6° |
| S02 | N05 | C06 | C07 | 156.5° | 144.4° |
| N05 | S02 | C01 | H011 | 64.5° | 180.0° |
| N05 | S02 | C01 | H012 | 55.5° | 60.0° |
| N05 | S02 | C01 | H013 | 175.6° | 60.0° |
| S02 | N05 | C06 | H061 | 33.0° | 24.4° |
| N05 | C06 | C12 | O13 | 34.5° | 19.9° |
| N05 | C06 | C12 | C07 | 117.5° | 119.9° |
| N05 | C06 | C12 | H061 | 123.4° | 120.1° |
| N05 | C06 | C07 | H061 | 124.4° | 120.0° |
| N05 | C06 | C07 | C08 | 52.9° | 61.5° |
| N05 | C06 | C12 | N14 | 145.2° | 160.0° |
| N05 | C06 | C07 | H072 | 67.9° | 58.4° |
| N05 | C06 | C07 | H071 | 173.7° | 178.5° |
| N11 | C10 | C09 | H101 | 120.4° | 120.1° |
| N11 | C10 | C09 | H102 | 120.3° | 120.0° |
| N11 | C10 | C09 | C08 | 152.4° | 180.0° |
| N11 | C10 | C09 | H092 | 32.5° | 60.0° |
| N11 | C10 | C09 | H091 | 87.7° | 60.0° |
| N11 | C10 | H101 | H102 | 119.0° | 120.0° |
| C10 | N11 | H111 | H112 | 120.0° | 124.0° |
| O13 | C12 | C06 | N14 | 179.7° | 180.0° |
| O13 | C12 | C06 | C07 | 83.0° | 100.0° |
| O13 | C12 | N14 | C15 | 2.4° | 0.0° |
| O13 | C12 | C06 | H061 | 157.9° | 140.0° |
| O13 | C12 | N14 | H141 | 177.6° | 180.0° |
| C12 | C06 | C07 | H061 | 119.1° | 120.0° |
| C12 | C06 | C07 | C08 | 169.3° | 178.5° |
| C06 | C12 | N14 | C15 | 177.9° | 179.9° |
| C12 | C06 | C07 | H072 | 48.5° | 61.5° |
| C12 | C06 | C07 | H071 | 69.8° | 58.5° |
| C12 | C06 | N05 | H051 | 149.3° | 84.4° |
| C06 | C12 | N14 | H141 | 2.1° | 0.0° |
| C06 | C07 | C08 | C09 | 66.5° | 175.0° |
| C06 | C07 | C08 | H072 | 120.9° | 120.0° |
| C06 | C07 | C08 | H071 | 120.8° | 120.0° |
| C07 | C06 | C12 | N14 | 97.3° | 80.0° |
| C06 | C07 | H072 | H071 | 117.4° | 120.0° |
| C06 | C07 | C08 | H081 | 173.2° | 55.0° |
| C06 | C07 | C08 | H082 | 53.9° | 65.0° |
| C07 | C06 | N05 | H051 | 35.3° | 35.5° |
| C10 | C09 | C08 | H092 | 119.9° | 120.0° |
| C10 | C09 | C08 | H091 | 119.9° | 120.0° |
| C10 | C09 | C08 | C07 | 172.5° | 180.0° |
| C10 | C09 | C08 | H081 | 52.2° | 60.0° |
| C10 | C09 | C08 | H082 | 67.1° | 60.0° |
| C10 | C09 | H092 | H091 | 120.2° | 119.9° |
| C09 | C10 | H101 | H102 | 118.9° | 119.9° |
| C09 | C10 | N11 | H111 | 180.0° | 56.0° |
| C09 | C10 | N11 | H112 | 60.0° | 180.0° |
| C09 | C08 | C07 | H081 | 120.4° | 120.0° |
| C09 | C08 | C07 | H082 | 120.3° | 120.0° |
| C09 | C08 | C07 | H072 | 172.7° | 65.0° |
| C09 | C08 | C07 | H071 | 54.4° | 55.0° |
| C09 | C08 | H081 | H082 | 118.9° | 120.0° |
| C08 | C09 | H092 | H091 | 120.2° | 120.1° |
| C08 | C09 | C10 | H101 | 87.3° | 60.0° |
| C08 | C09 | C10 | H102 | 32.0° | 60.0° |
| C08 | C07 | C06 | H061 | 71.5° | 58.5° |
| C08 | C07 | H072 | H071 | 117.3° | 120.0° |
| C07 | C08 | H081 | H082 | 118.9° | 120.1° |
| C07 | C08 | C09 | H092 | 67.6° | 60.0° |
| C07 | C08 | C09 | H091 | 52.6° | 60.0° |
| C12 | N14 | C15 | H141 | 180.0° | 180.0° |
| C12 | N14 | C15 | C16 | 129.0° | 180.0° |
| N14 | C12 | C06 | H061 | 21.8° | 40.0° |
| C12 | N14 | C15 | H152 | 9.1° | 60.0° |
| C12 | N14 | C15 | H151 | 111.1° | 60.0° |
| N14 | C15 | C16 | H152 | 119.9° | 120.0° |
| N14 | C15 | C16 | H151 | 119.9° | 120.0° |
| N14 | C15 | C16 | C38 | 50.4° | 85.5° |
| N14 | C15 | C16 | C17 | 174.0° | 154.5° |
| N14 | C15 | H152 | H151 | 120.4° | 120.0° |
| N14 | C15 | C16 | H161 | 68.6° | 34.5° |
| C15 | C16 | C38 | O40 | 54.6° | 4.6° |
| C15 | C16 | C38 | C17 | 119.8° | 120.0° |
| C15 | C16 | C38 | H161 | 118.7° | 120.0° |
| C15 | C16 | C17 | H161 | 117.3° | 120.0° |
| C15 | C16 | C38 | O39 | 125.5° | 175.4° |
| C15 | C16 | C17 | C18 | 174.5° | 55.0° |
| C16 | C15 | H152 | H151 | 120.4° | 120.0° |
| C15 | C16 | C17 | H172 | 53.2° | 65.1° |
| C15 | C16 | C17 | H171 | 64.3° | 174.9° |
| C16 | C15 | N14 | H141 | 51.0° | 0.0° |
| O40 | C38 | C16 | O39 | 179.9° | 180.0° |
| O40 | C38 | C16 | C17 | 65.2° | 115.4° |
| O40 | C38 | C16 | H161 | 173.3° | 124.6° |
| O40 | C38 | O39 | H3 | 0.0° | 0.0° |
| C38 | C16 | C17 | H161 | 121.9° | 120.0° |
| C38 | C16 | C17 | C18 | 53.7° | 65.1° |
| C38 | C16 | C15 | H152 | 69.4° | 154.5° |
| C38 | C16 | C15 | H151 | 170.3° | 34.5° |
| C38 | C16 | C17 | H172 | 67.6° | 174.9° |
| C38 | C16 | C17 | H171 | 174.9° | 54.9° |
| C16 | C38 | O39 | H3 | 180.0° | 180.0° |
| C17 | C16 | C38 | O39 | 114.7° | 64.6° |
| C16 | C17 | C18 | H172 | 121.2° | 120.0° |
| C16 | C17 | C18 | H171 | 121.2° | 120.0° |
| C16 | C17 | C18 | C19 | 178.9° | 177.4° |
| C16 | C17 | C18 | C22 | 61.4° | 67.8° |
| C16 | C17 | C18 | C23 | 68.8° | 54.8° |
| C17 | C16 | C15 | H152 | 54.1° | 34.5° |
| C17 | C16 | C15 | H151 | 66.1° | 85.5° |
| C16 | C17 | H172 | H171 | 116.2° | 120.0° |
| O39 | C38 | C16 | H161 | 6.8° | 55.4° |
| C17 | C18 | C19 | C22 | 123.0° | 118.7° |
| C17 | C18 | C19 | C23 | 114.8° | 122.5° |
| C17 | C18 | C22 | C23 | 126.3° | 122.5° |
| C17 | C18 | C23 | O24 | 23.1° | 27.7° |
| C17 | C18 | C19 | C20 | 112.2° | 142.3° |
| C17 | C18 | C22 | C21 | 134.5° | 156.6° |
| C17 | C18 | C23 | N25 | 160.6° | 152.4° |
| C18 | C17 | C16 | H161 | 68.2° | 175.0° |
| C18 | C17 | H172 | H171 | 116.1° | 120.0° |
| C17 | C18 | C19 | H191 | 7.1° | 23.0° |
| C17 | C18 | C19 | H192 | 128.6° | 98.4° |
| C17 | C18 | C22 | H221 | 105.7° | 85.0° |
| C17 | C18 | C22 | H222 | 14.7° | 38.3° |
| C19 | C18 | C22 | C23 | 114.6° | 118.8° |
| C19 | C18 | C23 | O24 | 92.0° | 94.9° |
| C18 | C19 | C20 | H191 | 119.3° | 119.3° |
| C18 | C19 | C20 | H192 | 119.3° | 119.3° |
| C19 | C18 | C22 | C21 | 15.4° | 38.0° |
| C18 | C19 | C20 | C21 | 32.3° | 0.0° |
| C19 | C18 | C23 | N25 | 84.3° | 85.1° |
| C19 | C18 | C17 | H172 | 57.7° | 62.6° |
| C19 | C18 | C17 | H171 | 59.9° | 57.4° |
| C18 | C19 | H191 | H192 | 122.2° | 121.5° |
| C18 | C19 | C20 | H201 | 87.2° | 119.3° |
| C18 | C19 | C20 | H202 | 151.8° | 119.2° |
| C19 | C18 | C22 | H221 | 135.2° | 156.3° |
| C19 | C18 | C22 | H222 | 104.4° | 80.4° |
| C22 | C18 | C23 | O24 | 152.6° | 150.3° |
| C22 | C18 | C19 | C20 | 10.8° | 23.6° |
| C18 | C22 | C21 | H221 | 119.8° | 118.3° |
| C18 | C22 | C21 | H222 | 119.8° | 118.3° |
| C18 | C22 | C21 | C20 | 33.3° | 38.0° |
| C22 | C18 | C23 | N25 | 31.1° | 29.8° |
| C22 | C18 | C17 | H172 | 59.8° | 52.2° |
| C22 | C18 | C17 | H171 | 177.3° | 172.2° |
| C22 | C18 | C19 | H191 | 130.1° | 95.6° |
| C22 | C18 | C19 | H192 | 108.5° | 142.9° |
| C18 | C22 | C21 | H212 | 85.0° | 156.6° |
| C18 | C22 | C21 | H211 | 151.6° | 80.8° |
| C18 | C22 | H221 | H222 | 120.6° | 123.3° |
| C18 | C23 | O24 | N25 | 175.9° | 180.0° |
| C23 | C18 | C19 | C20 | 133.0° | 95.2° |
| C23 | C18 | C22 | C21 | 99.2° | 80.8° |
| C18 | C23 | N25 | C26 | 175.3° | 172.3° |
| C23 | C18 | C17 | H172 | 170.0° | 174.8° |
| C23 | C18 | C17 | H171 | 52.5° | 65.2° |
| C23 | C18 | C19 | H191 | 107.7° | 145.5° |
| C23 | C18 | C19 | H192 | 13.8° | 24.1° |
| C23 | C18 | C22 | H221 | 20.6° | 37.5° |
| C23 | C18 | C22 | H222 | 141.0° | 160.9° |
| C18 | C23 | N25 | H251 | 4.8° | 7.6° |
| O24 | C23 | N25 | C26 | 1.0° | 7.7° |
| O24 | C23 | N25 | H251 | 179.0° | 172.4° |
| C19 | C20 | C21 | C22 | 40.6° | 23.6° |
| C19 | C20 | C21 | H201 | 119.5° | 119.3° |
| C19 | C20 | C21 | H202 | 119.5° | 119.2° |
| C20 | C19 | H191 | H192 | 122.1° | 121.4° |
| C19 | C20 | H201 | H202 | 121.5° | 121.4° |
| C19 | C20 | C21 | H212 | 77.7° | 142.3° |
| C19 | C20 | C21 | H211 | 158.9° | 95.2° |
| C22 | C21 | C20 | H212 | 118.3° | 118.7° |
| C22 | C21 | C20 | H211 | 118.3° | 118.8° |
| C22 | C21 | C20 | H201 | 78.9° | 95.7° |
| C22 | C21 | C20 | H202 | 160.1° | 142.8° |
| C22 | C21 | H212 | H211 | 124.8° | 122.7° |
| C21 | C22 | H221 | H222 | 120.7° | 123.3° |
| C21 | C20 | C19 | H191 | 151.6° | 119.3° |
| C21 | C20 | C19 | H192 | 87.0° | 119.3° |
| C21 | C20 | H201 | H202 | 121.5° | 121.5° |
| C20 | C21 | H212 | H211 | 124.9° | 122.5° |
| C20 | C21 | C22 | H221 | 153.1° | 156.3° |
| C20 | C21 | C22 | H222 | 86.5° | 80.4° |
| C23 | N25 | C26 | H251 | 180.0° | 179.9° |
| C23 | N25 | C26 | C35 | 81.7° | 85.0° |
| C23 | N25 | C26 | C27 | 156.5° | 155.0° |
| C23 | N25 | C26 | H261 | 37.1° | 35.0° |
| N25 | C26 | C35 | C27 | 121.1° | 120.0° |
| N25 | C26 | C35 | H261 | 119.3° | 120.0° |
| N25 | C26 | C27 | H261 | 120.0° | 120.0° |
| N25 | C26 | C35 | O37 | 6.3° | 0.0° |
| N25 | C26 | C35 | O36 | 173.9° | 180.0° |
| N25 | C26 | C27 | C28 | 42.9° | 65.0° |
| N25 | C26 | C27 | H271 | 163.7° | 55.0° |
| N25 | C26 | C27 | H272 | 78.0° | 175.0° |
| C35 | C26 | C27 | H261 | 119.7° | 120.0° |
| C26 | C35 | O37 | O36 | 179.8° | 179.9° |
| C35 | C26 | C27 | C28 | 77.4° | 175.0° |
| C35 | C26 | C27 | H271 | 43.4° | 65.0° |
| C35 | C26 | C27 | H272 | 161.7° | 55.0° |
| C35 | C26 | N25 | H251 | 98.3° | 95.1° |
| C26 | C35 | O36 | H2 | 179.8° | 180.0° |
| C27 | C26 | C35 | O37 | 114.8° | 119.9° |
| C27 | C26 | C35 | O36 | 65.0° | 60.0° |
| C26 | C27 | C28 | H271 | 120.8° | 120.0° |
| C26 | C27 | C28 | H272 | 120.8° | 120.0° |
| C26 | C27 | C28 | C29 | 93.7° | 89.8° |
| C26 | C27 | C28 | C33 | 89.4° | 90.0° |
| C26 | C27 | H271 | H272 | 117.5° | 120.0° |
| C27 | C26 | N25 | H251 | 23.5° | 24.9° |
| O37 | C35 | C26 | H261 | 125.6° | 120.0° |
| O37 | C35 | O36 | H2 | 0.0° | 0.1° |
| O36 | C35 | C26 | H261 | 54.7° | 60.0° |
| C27 | C28 | C29 | C33 | 176.9° | 179.8° |
| C27 | C28 | C29 | C30 | 179.6° | 180.0° |
| C27 | C28 | C33 | C32 | 179.1° | 179.7° |
| C28 | C27 | C26 | H261 | 162.8° | 55.0° |
| C28 | C27 | H271 | H272 | 117.5° | 120.0° |
| C27 | C28 | C29 | H291 | 0.4° | 0.0° |
| C27 | C28 | C33 | H331 | 0.9° | 0.0° |
| C28 | C29 | C30 | H291 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 2.1° | 0.1° |
| C29 | C28 | C33 | C32 | 2.3° | 0.5° |
| C29 | C28 | C27 | H271 | 145.5° | 150.2° |
| C29 | C28 | C27 | H272 | 27.1° | 30.2° |
| C28 | C29 | C30 | H301 | 177.9° | 180.0° |
| C29 | C28 | C33 | H331 | 177.7° | 179.8° |
| C30 | C29 | C28 | C33 | 2.8° | 0.2° |
| C29 | C30 | C31 | H301 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 1.1° | 0.0° |
| C29 | C30 | C31 | O34 | 179.4° | 180.0° |
| C28 | C33 | C32 | H331 | 180.0° | 179.7° |
| C28 | C33 | C32 | C31 | 1.3° | 0.5° |
| C33 | C28 | C27 | H271 | 31.4° | 30.0° |
| C33 | C28 | C27 | H272 | 149.8° | 150.0° |
| C33 | C28 | C29 | H291 | 177.3° | 179.8° |
| C28 | C33 | C32 | H321 | 178.8° | 179.8° |
| C30 | C31 | C32 | C33 | 0.7° | 0.3° |
| C30 | C31 | C32 | O34 | 179.5° | 180.0° |
| C31 | C30 | C29 | H291 | 177.9° | 180.0° |
| C30 | C31 | C32 | H321 | 179.3° | 180.0° |
| C30 | C31 | O34 | H341 | 180.0° | 90.0° |
| C33 | C32 | C31 | H321 | 180.0° | 179.7° |
| C33 | C32 | C31 | O34 | 179.8° | 179.7° |
| C32 | C31 | C30 | H301 | 178.9° | 180.0° |
| C31 | C32 | C33 | H331 | 178.7° | 179.8° |
| C32 | C31 | O34 | H341 | 0.5° | 90.0° |
| O34 | C31 | C30 | H301 | 0.6° | 0.0° |
| O34 | C31 | C32 | H321 | 0.2° | 0.0° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H061 | C06 | C07 | H072 | 167.6° | 178.5° |
| H061 | C06 | C07 | H071 | 49.3° | 61.5° |
| H061 | C06 | N05 | H051 | 88.3° | 155.5° |
| H072 | C07 | C08 | H081 | 52.3° | 175.0° |
| H072 | C07 | C08 | H082 | 67.0° | 55.0° |
| H071 | C07 | C08 | H081 | 66.0° | 65.0° |
| H071 | C07 | C08 | H082 | 174.7° | 175.0° |
| H081 | C08 | C09 | H092 | 172.1° | 180.0° |
| H081 | C08 | C09 | H091 | 67.7° | 60.0° |
| H082 | C08 | C09 | H092 | 52.8° | 60.0° |
| H082 | C08 | C09 | H091 | 173.0° | 180.0° |
| H092 | C09 | C10 | H101 | 152.8° | 180.0° |
| H092 | C09 | C10 | H102 | 87.9° | 60.0° |
| H091 | C09 | C10 | H101 | 32.6° | 60.1° |
| H091 | C09 | C10 | H102 | 151.9° | 180.0° |
| H101 | C10 | N11 | H111 | 59.7° | 64.0° |
| H101 | C10 | N11 | H112 | 60.3° | 60.0° |
| H102 | C10 | N11 | H111 | 59.7° | 176.0° |
| H102 | C10 | N11 | H112 | 179.7° | 60.0° |
| H152 | C15 | C16 | H161 | 171.5° | 85.5° |
| H152 | C15 | N14 | H141 | 170.9° | 120.0° |
| H151 | C15 | C16 | H161 | 51.3° | 154.5° |
| H151 | C15 | N14 | H141 | 68.9° | 120.0° |
| H161 | C16 | C17 | H172 | 170.6° | 55.0° |
| H161 | C16 | C17 | H171 | 53.0° | 65.0° |
| H191 | C19 | C20 | H201 | 32.1° | 0.0° |
| H191 | C19 | C20 | H202 | 88.9° | 121.4° |
| H192 | C19 | C20 | H201 | 153.5° | 121.4° |
| H192 | C19 | C20 | H202 | 32.5° | 0.0° |
| H201 | C20 | C21 | H212 | 162.8° | 23.0° |
| H201 | C20 | C21 | H211 | 39.4° | 145.5° |
| H202 | C20 | C21 | H212 | 41.9° | 98.5° |
| H202 | C20 | C21 | H211 | 81.6° | 24.0° |
| H212 | C21 | C22 | H221 | 34.8° | 85.1° |
| H212 | C21 | C22 | H222 | 155.2° | 38.3° |
| H211 | C21 | C22 | H221 | 88.6° | 37.5° |
| H211 | C21 | C22 | H222 | 31.8° | 160.9° |
| H261 | C26 | C27 | H271 | 76.4° | 175.0° |
| H261 | C26 | C27 | H272 | 42.0° | 65.0° |
| H261 | C26 | N25 | H251 | 142.9° | 145.0° |
| H291 | C29 | C30 | H301 | 2.1° | 0.0° |
| H321 | C32 | C33 | H331 | 1.2° | 0.0° |
