5W1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.42Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.49Å | |
| C21 | C19 | doub | 1.40Å | 1.42Å | Aromatic |
| C21 | N22 | sing | 1.39Å | 1.36Å | |
| C21 | N38 | sing | 1.33Å | 1.35Å | Aromatic |
| C24 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| C26 | C28 | sing | 1.39Å | 1.41Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | CL1 | sing | 1.74Å | 1.69Å | |
| C28 | N29 | sing | 1.40Å | 1.38Å | |
| C28 | C37 | doub | 1.39Å | 1.39Å | Aromatic |
| C01 | N02 | sing | 1.47Å | 1.49Å | |
| N02 | C03 | sing | 1.47Å | 1.49Å | |
| N02 | C05 | sing | 1.47Å | 1.49Å | |
| C03 | C04 | sing | 1.53Å | 1.55Å | |
| C04 | N07 | sing | 1.47Å | 1.45Å | |
| C05 | C06 | sing | 1.53Å | 1.55Å | |
| C06 | N07 | sing | 1.47Å | 1.45Å | |
| N07 | C08 | sing | 1.40Å | 1.38Å | |
| C08 | C09 | doub | 1.39Å | 1.41Å | Aromatic |
| C08 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C09 | F10 | sing | 1.35Å | 1.30Å | |
| C09 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | C14 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | N15 | sing | 1.40Å | 1.36Å | |
| N15 | C16 | sing | 1.39Å | 1.36Å | |
| C16 | N17 | sing | 1.32Å | 1.35Å | Aromatic |
| C16 | N38 | doub | 1.32Å | 1.35Å | Aromatic |
| N17 | C18 | doub | 1.32Å | 1.35Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| N22 | C23 | sing | 1.40Å | 1.37Å | |
| C23 | C37 | sing | 1.39Å | 1.41Å | Aromatic |
| N29 | S30 | sing | 1.66Å | 1.70Å | |
| S30 | C31 | sing | 1.81Å | 1.82Å | |
| S30 | O35 | doub | 1.42Å | 1.56Å | |
| S30 | O36 | doub | 1.42Å | 1.55Å | |
| C31 | C32 | sing | 1.53Å | 1.55Å | |
| C31 | C33 | sing | 1.53Å | 1.55Å | |
| C31 | C34 | sing | 1.53Å | 1.56Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | 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 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| N22 | H221 | sing | 0.97Å | 1.00Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| N29 | H291 | sing | 0.97Å | 1.00Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H343 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C13 | C14 | 121.3° | 120.1° |
| C13 | C12 | C08 | 120.1° | 120.0° |
| C12 | C13 | H131 | 119.4° | 120.0° |
| C13 | C12 | H121 | 120.0° | 120.0° |
| C13 | C14 | C11 | 118.6° | 120.0° |
| C13 | C14 | N15 | 116.5° | 120.0° |
| C14 | C13 | H131 | 119.4° | 119.9° |
| C20 | C19 | C21 | 122.9° | 120.8° |
| C20 | C19 | C18 | 119.9° | 120.8° |
| C19 | C20 | H201 | 109.5° | 109.6° |
| C19 | C20 | H202 | 109.5° | 109.5° |
| C19 | C20 | H203 | 109.5° | 109.4° |
| C19 | C21 | N22 | 121.9° | 120.5° |
| C19 | C21 | N38 | 118.8° | 119.1° |
| C21 | C19 | C18 | 117.3° | 118.4° |
| N22 | C21 | N38 | 119.3° | 120.4° |
| C21 | N22 | C23 | 128.1° | 120.0° |
| C21 | N22 | H221 | 115.9° | 120.0° |
| C21 | N38 | C16 | 122.6° | 120.6° |
| C23 | C24 | C25 | 119.9° | 120.0° |
| C24 | C23 | N22 | 118.6° | 120.0° |
| C24 | C23 | C37 | 118.6° | 119.9° |
| C23 | C24 | H241 | 120.0° | 119.9° |
| C24 | C25 | C26 | 120.1° | 120.2° |
| C25 | C24 | H241 | 120.1° | 120.0° |
| C24 | C25 | H251 | 120.0° | 119.9° |
| C28 | C26 | C25 | 121.1° | 120.1° |
| C28 | C26 | CL1 | 120.3° | 120.0° |
| C26 | C28 | N29 | 120.1° | 120.0° |
| C26 | C28 | C37 | 117.3° | 119.9° |
| C25 | C26 | CL1 | 118.5° | 119.9° |
| C26 | C25 | H251 | 120.0° | 120.0° |
| N29 | C28 | C37 | 122.6° | 120.1° |
| C28 | N29 | S30 | 126.8° | 120.0° |
| C28 | N29 | H291 | 105.0° | 120.0° |
| C28 | C37 | C23 | 123.0° | 119.9° |
| C28 | C37 | H371 | 118.5° | 120.1° |
| C01 | N02 | C03 | 111.6° | 111.0° |
| C01 | N02 | C05 | 112.8° | 111.0° |
| N02 | C01 | H011 | 109.5° | 109.4° |
| N02 | C01 | H012 | 109.5° | 109.5° |
| N02 | C01 | H013 | 109.5° | 109.5° |
| C03 | N02 | C05 | 112.2° | 110.9° |
| N02 | C03 | C04 | 110.3° | 109.4° |
| N02 | C03 | H031 | 109.3° | 109.5° |
| N02 | C03 | H032 | 109.3° | 109.5° |
| N02 | C05 | C06 | 109.4° | 109.4° |
| N02 | C05 | H051 | 109.5° | 109.5° |
| N02 | C05 | H052 | 109.5° | 109.5° |
| C03 | C04 | N07 | 111.6° | 109.3° |
| C04 | C03 | H031 | 109.2° | 109.4° |
| C04 | C03 | H032 | 109.3° | 109.5° |
| C03 | C04 | H041 | 108.9° | 109.5° |
| C03 | C04 | H042 | 108.9° | 109.5° |
| C04 | N07 | C06 | 119.5° | 110.9° |
| C04 | N07 | C08 | 119.4° | 111.0° |
| N07 | C04 | H041 | 108.9° | 109.5° |
| N07 | C04 | H042 | 109.0° | 109.5° |
| C05 | C06 | N07 | 111.9° | 109.4° |
| C06 | C05 | H051 | 109.5° | 109.5° |
| C06 | C05 | H052 | 109.5° | 109.5° |
| C05 | C06 | H061 | 108.8° | 109.5° |
| C05 | C06 | H062 | 108.9° | 109.5° |
| C06 | N07 | C08 | 119.1° | 111.0° |
| N07 | C06 | H061 | 108.9° | 109.4° |
| N07 | C06 | H062 | 108.8° | 109.5° |
| N07 | C08 | C09 | 120.3° | 120.0° |
| N07 | C08 | C12 | 121.2° | 120.0° |
| C09 | C08 | C12 | 118.6° | 120.0° |
| C08 | C09 | F10 | 119.3° | 120.0° |
| C08 | C09 | C11 | 121.6° | 120.0° |
| C08 | C12 | H121 | 119.9° | 120.0° |
| F10 | C09 | C11 | 119.1° | 120.0° |
| C09 | C11 | C14 | 119.9° | 120.0° |
| C09 | C11 | H111 | 120.1° | 120.0° |
| C11 | C14 | N15 | 124.9° | 120.0° |
| C14 | C11 | H111 | 120.1° | 120.0° |
| C14 | N15 | C16 | 132.1° | 120.0° |
| C14 | N15 | H151 | 114.0° | 120.0° |
| N15 | C16 | N17 | 118.7° | 119.2° |
| N15 | C16 | N38 | 121.8° | 119.2° |
| C16 | N15 | H151 | 113.9° | 120.0° |
| N17 | C16 | N38 | 119.6° | 121.7° |
| C16 | N17 | C18 | 121.0° | 120.9° |
| N17 | C18 | C19 | 120.9° | 119.3° |
| N17 | C18 | H181 | 119.5° | 120.4° |
| C19 | C18 | H181 | 119.6° | 120.3° |
| N22 | C23 | C37 | 122.8° | 120.0° |
| C23 | N22 | H221 | 116.0° | 120.0° |
| C23 | C37 | H371 | 118.5° | 120.1° |
| N29 | S30 | C31 | 107.4° | 104.4° |
| N29 | S30 | O35 | 108.0° | 104.3° |
| N29 | S30 | O36 | 109.0° | 104.3° |
| S30 | N29 | H291 | 105.0° | 120.0° |
| C31 | S30 | O35 | 109.1° | 110.5° |
| C31 | S30 | O36 | 110.9° | 110.5° |
| S30 | C31 | C32 | 109.9° | 109.5° |
| S30 | C31 | C33 | 106.6° | 109.5° |
| S30 | C31 | C34 | 108.5° | 109.5° |
| O35 | S30 | O36 | 112.3° | 121.1° |
| C32 | C31 | C33 | 111.6° | 109.5° |
| C32 | C31 | C34 | 108.8° | 109.4° |
| C31 | C32 | H321 | 109.5° | 109.5° |
| C31 | C32 | H322 | 109.5° | 109.5° |
| C31 | C32 | H323 | 109.4° | 109.5° |
| C33 | C31 | C34 | 111.3° | 109.5° |
| C31 | C33 | H331 | 109.5° | 109.5° |
| C31 | C33 | H332 | 109.5° | 109.5° |
| C31 | C33 | H333 | 109.5° | 109.4° |
| C31 | C34 | H341 | 109.5° | 109.5° |
| C31 | C34 | H342 | 109.5° | 109.5° |
| C31 | C34 | H343 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H201 | C20 | H203 | 109.5° | 109.4° |
| H202 | C20 | H203 | 109.4° | 109.4° |
| H011 | C01 | H012 | 109.4° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H031 | C03 | H032 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.5° |
| H051 | C05 | H052 | 109.5° | 109.5° |
| H061 | C06 | H062 | 109.5° | 109.6° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H321 | C32 | H323 | 109.5° | 109.4° |
| H322 | C32 | H323 | 109.5° | 109.5° |
| H331 | C33 | H332 | 109.5° | 109.5° |
| H331 | C33 | H333 | 109.5° | 109.5° |
| H332 | C33 | H333 | 109.4° | 109.5° |
| H341 | C34 | H342 | 109.5° | 109.4° |
| H341 | C34 | H343 | 109.4° | 109.5° |
| H342 | C34 | H343 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C13 | C14 | H131 | 180.0° | 179.8° |
| C13 | C12 | C08 | N07 | 179.3° | 180.0° |
| C13 | C12 | C08 | C09 | 1.0° | 0.0° |
| C13 | C12 | C08 | H121 | 180.0° | 180.0° |
| C12 | C13 | C14 | C11 | 0.9° | 0.1° |
| C12 | C13 | C14 | N15 | 180.0° | 180.0° |
| C14 | C13 | C12 | C08 | 1.3° | 0.0° |
| C13 | C14 | C11 | C09 | 0.4° | 0.1° |
| C13 | C14 | C11 | N15 | 179.0° | 179.9° |
| C13 | C14 | N15 | C16 | 172.1° | 145.4° |
| C13 | C14 | C11 | H111 | 179.6° | 180.0° |
| C14 | C13 | C12 | H121 | 178.8° | 180.0° |
| C13 | C14 | N15 | H151 | 7.9° | 34.6° |
| C20 | C19 | C21 | C18 | 178.9° | 180.0° |
| C20 | C19 | C21 | N22 | 0.5° | 0.0° |
| C20 | C19 | C21 | N38 | 179.8° | 179.8° |
| C20 | C19 | C18 | N17 | 179.5° | 179.5° |
| C19 | C20 | H201 | H202 | 120.0° | 120.1° |
| C19 | C20 | H201 | H203 | 120.0° | 120.0° |
| C19 | C20 | H202 | H203 | 120.0° | 119.9° |
| C20 | C19 | C18 | H181 | 0.5° | 0.1° |
| C19 | C21 | N22 | N38 | 179.7° | 179.8° |
| C19 | C21 | N38 | C16 | 0.8° | 0.0° |
| C21 | C19 | C18 | N17 | 0.6° | 0.5° |
| C19 | C21 | N22 | C23 | 167.9° | 174.4° |
| C21 | C19 | C20 | H201 | 90.6° | 90.0° |
| C21 | C19 | C20 | H202 | 149.4° | 150.0° |
| C21 | C19 | C20 | H203 | 29.4° | 30.0° |
| C21 | C19 | C18 | H181 | 179.4° | 180.0° |
| C19 | C21 | N22 | H221 | 12.1° | 5.6° |
| C21 | N22 | C23 | C24 | 158.0° | 33.5° |
| N22 | C21 | N38 | C16 | 179.5° | 179.7° |
| N22 | C21 | C19 | C18 | 179.4° | 180.0° |
| C21 | N22 | C23 | H221 | 180.0° | 180.0° |
| C21 | N22 | C23 | C37 | 22.4° | 146.6° |
| C21 | N38 | C16 | N15 | 179.2° | 180.0° |
| C21 | N38 | C16 | N17 | 0.4° | 0.0° |
| N38 | C21 | C19 | C18 | 0.9° | 0.3° |
| N38 | C21 | N22 | C23 | 12.4° | 5.8° |
| N38 | C21 | N22 | H221 | 167.6° | 174.1° |
| C23 | C24 | C25 | H241 | 180.0° | 179.6° |
| C23 | C24 | C25 | C26 | 1.1° | 0.1° |
| C24 | C23 | C37 | C28 | 0.1° | 0.1° |
| C24 | C23 | N22 | C37 | 179.6° | 180.0° |
| C24 | C23 | N22 | H221 | 22.0° | 146.6° |
| C23 | C24 | C25 | H251 | 178.9° | 180.0° |
| C24 | C23 | C37 | H371 | 180.0° | 180.0° |
| C24 | C25 | C26 | C28 | 1.2° | 0.1° |
| C24 | C25 | C26 | H251 | 180.0° | 180.0° |
| C24 | C25 | C26 | CL1 | 179.5° | 180.0° |
| C25 | C24 | C23 | N22 | 179.9° | 180.0° |
| C25 | C24 | C23 | C37 | 0.5° | 0.1° |
| C28 | C26 | C25 | CL1 | 179.3° | 180.0° |
| C26 | C28 | N29 | C37 | 178.3° | 179.9° |
| C26 | C28 | C37 | C23 | 0.2° | 0.0° |
| C26 | C28 | N29 | S30 | 142.0° | 144.4° |
| C28 | C26 | C25 | H251 | 178.8° | 180.0° |
| C26 | C28 | N29 | H291 | 95.7° | 35.7° |
| C26 | C28 | C37 | H371 | 179.8° | 180.0° |
| C25 | C26 | C28 | N29 | 177.6° | 180.0° |
| C25 | C26 | C28 | C37 | 0.7° | 0.0° |
| C26 | C25 | C24 | H241 | 178.9° | 179.7° |
| CL1 | C26 | C28 | N29 | 1.6° | 0.0° |
| CL1 | C26 | C28 | C37 | 180.0° | 180.0° |
| CL1 | C26 | C25 | H251 | 0.5° | 0.0° |
| N29 | C28 | C37 | C23 | 178.2° | 180.0° |
| C28 | N29 | S30 | H291 | 122.3° | 179.9° |
| C28 | N29 | S30 | C31 | 77.0° | 65.4° |
| C28 | N29 | S30 | O35 | 165.5° | 178.6° |
| C28 | N29 | S30 | O36 | 43.3° | 50.6° |
| N29 | C28 | C37 | H371 | 1.8° | 0.1° |
| C28 | C37 | C23 | N22 | 179.6° | 180.0° |
| C28 | C37 | C23 | H371 | 180.0° | 180.0° |
| C37 | C28 | N29 | S30 | 39.7° | 35.7° |
| C37 | C28 | N29 | H291 | 82.6° | 144.2° |
| C01 | N02 | C03 | C05 | 127.7° | 123.8° |
| C01 | N02 | C03 | C04 | 173.7° | 176.8° |
| C01 | N02 | C05 | C06 | 174.1° | 176.8° |
| N02 | C01 | H011 | H012 | 120.0° | 120.0° |
| N02 | C01 | H011 | H013 | 120.0° | 120.0° |
| N02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | N02 | C03 | H031 | 53.6° | 56.9° |
| C01 | N02 | C03 | H032 | 66.2° | 63.1° |
| C01 | N02 | C05 | H051 | 65.9° | 63.2° |
| C01 | N02 | C05 | H052 | 54.1° | 56.8° |
| N02 | C03 | C04 | H031 | 120.1° | 120.0° |
| N02 | C03 | C04 | H032 | 120.1° | 120.0° |
| N02 | C03 | C04 | N07 | 48.9° | 58.4° |
| C03 | N02 | C05 | C06 | 58.9° | 59.3° |
| C03 | N02 | C01 | H011 | 180.0° | 60.0° |
| C03 | N02 | C01 | H012 | 60.0° | 180.0° |
| C03 | N02 | C01 | H013 | 60.0° | 59.9° |
| N02 | C03 | H031 | H032 | 119.6° | 120.1° |
| N02 | C03 | C04 | H041 | 71.4° | 61.5° |
| N02 | C03 | C04 | H042 | 169.2° | 178.4° |
| C03 | N02 | C05 | H051 | 61.1° | 60.7° |
| C03 | N02 | C05 | H052 | 178.9° | 179.3° |
| C05 | N02 | C03 | C04 | 58.7° | 59.3° |
| N02 | C05 | C06 | H051 | 120.0° | 120.0° |
| N02 | C05 | C06 | H052 | 120.0° | 120.0° |
| N02 | C05 | C06 | N07 | 50.0° | 58.4° |
| C05 | N02 | C01 | H011 | 52.7° | 176.2° |
| C05 | N02 | C01 | H012 | 67.3° | 56.2° |
| C05 | N02 | C01 | H013 | 172.7° | 63.8° |
| C05 | N02 | C03 | H031 | 178.8° | 179.3° |
| C05 | N02 | C03 | H032 | 61.5° | 60.7° |
| N02 | C05 | H051 | H052 | 120.0° | 120.0° |
| N02 | C05 | C06 | H061 | 170.4° | 178.3° |
| N02 | C05 | C06 | H062 | 70.4° | 61.5° |
| C03 | C04 | N07 | H041 | 120.3° | 119.9° |
| C03 | C04 | N07 | H042 | 120.3° | 120.0° |
| C03 | C04 | N07 | C06 | 44.7° | 59.3° |
| C03 | C04 | N07 | C08 | 151.6° | 176.8° |
| C04 | C03 | H031 | H032 | 119.6° | 120.0° |
| C03 | C04 | H041 | H042 | 119.0° | 120.1° |
| C04 | N07 | C06 | C05 | 45.6° | 59.3° |
| C04 | N07 | C06 | C08 | 163.8° | 123.9° |
| C04 | N07 | C08 | C09 | 133.4° | 120.0° |
| C04 | N07 | C08 | C12 | 46.2° | 60.0° |
| N07 | C04 | C03 | H031 | 169.1° | 178.4° |
| N07 | C04 | C03 | H032 | 71.2° | 61.6° |
| N07 | C04 | H041 | H042 | 119.1° | 120.0° |
| C04 | N07 | C06 | H061 | 165.9° | 179.3° |
| C04 | N07 | C06 | H062 | 74.8° | 60.6° |
| C05 | C06 | N07 | H061 | 120.4° | 120.0° |
| C05 | C06 | N07 | H062 | 120.4° | 119.9° |
| C05 | C06 | N07 | C08 | 150.7° | 176.8° |
| C06 | C05 | H051 | H052 | 120.0° | 120.1° |
| C05 | C06 | H061 | H062 | 118.9° | 120.1° |
| C06 | N07 | C08 | C09 | 62.8° | 116.2° |
| C06 | N07 | C08 | C12 | 117.5° | 63.8° |
| C06 | N07 | C04 | H041 | 75.6° | 60.6° |
| C06 | N07 | C04 | H042 | 165.0° | 179.3° |
| N07 | C06 | C05 | H051 | 70.0° | 61.6° |
| N07 | C06 | C05 | H052 | 169.9° | 178.4° |
| N07 | C06 | H061 | H062 | 118.9° | 120.0° |
| N07 | C08 | C09 | C12 | 179.7° | 179.9° |
| N07 | C08 | C09 | F10 | 1.1° | 0.1° |
| N07 | C08 | C09 | C11 | 179.8° | 180.0° |
| C08 | N07 | C04 | H041 | 88.1° | 63.2° |
| C08 | N07 | C04 | H042 | 31.3° | 56.8° |
| C08 | N07 | C06 | H061 | 30.3° | 56.9° |
| C08 | N07 | C06 | H062 | 89.0° | 63.2° |
| N07 | C08 | C12 | H121 | 0.7° | 0.0° |
| C08 | C09 | F10 | C11 | 178.7° | 179.9° |
| C08 | C09 | C11 | C14 | 0.2° | 0.0° |
| C08 | C09 | C11 | H111 | 179.8° | 180.0° |
| C09 | C08 | C12 | H121 | 179.0° | 180.0° |
| C12 | C08 | C09 | F10 | 179.2° | 180.0° |
| C12 | C08 | C09 | C11 | 0.5° | 0.1° |
| C08 | C12 | C13 | H131 | 178.7° | 179.8° |
| F10 | C09 | C11 | C14 | 178.9° | 179.9° |
| F10 | C09 | C11 | H111 | 1.1° | 0.0° |
| C09 | C11 | C14 | H111 | 180.0° | 180.0° |
| C09 | C11 | C14 | N15 | 179.4° | 179.9° |
| C11 | C14 | N15 | C16 | 8.9° | 34.7° |
| C11 | C14 | C13 | H131 | 179.1° | 179.7° |
| C11 | C14 | N15 | H151 | 171.1° | 145.3° |
| C14 | N15 | C16 | H151 | 180.0° | 180.0° |
| C14 | N15 | C16 | N17 | 178.9° | 5.2° |
| C14 | N15 | C16 | N38 | 1.5° | 174.8° |
| N15 | C14 | C13 | H131 | 0.0° | 0.2° |
| N15 | C14 | C11 | H111 | 0.6° | 0.1° |
| N15 | C16 | N17 | N38 | 179.6° | 180.0° |
| N15 | C16 | N17 | C18 | 179.6° | 179.7° |
| C16 | N17 | C18 | C19 | 0.2° | 0.5° |
| N17 | C16 | N15 | H151 | 1.1° | 174.7° |
| C16 | N17 | C18 | H181 | 179.8° | 180.0° |
| N38 | C16 | N17 | C18 | 0.1° | 0.3° |
| N38 | C16 | N15 | H151 | 178.5° | 5.3° |
| N17 | C18 | C19 | H181 | 180.0° | 179.4° |
| C18 | C19 | C20 | H201 | 90.5° | 90.0° |
| C18 | C19 | C20 | H202 | 29.5° | 30.1° |
| C18 | C19 | C20 | H203 | 149.4° | 150.0° |
| N22 | C23 | C24 | H241 | 0.1° | 0.3° |
| N22 | C23 | C37 | H371 | 0.4° | 0.0° |
| C37 | C23 | C24 | H241 | 179.5° | 179.7° |
| C37 | C23 | N22 | H221 | 157.5° | 33.4° |
| N29 | S30 | C31 | O35 | 116.8° | 111.6° |
| N29 | S30 | C31 | O36 | 119.0° | 111.7° |
| N29 | S30 | O35 | O36 | 120.2° | 116.8° |
| N29 | S30 | C31 | C32 | 60.8° | 60.0° |
| N29 | S30 | C31 | C33 | 178.0° | 180.0° |
| N29 | S30 | C31 | C34 | 58.0° | 60.0° |
| C31 | S30 | O35 | O36 | 123.4° | 131.4° |
| S30 | C31 | C32 | C33 | 118.1° | 120.0° |
| S30 | C31 | C32 | C34 | 118.7° | 120.0° |
| S30 | C31 | C33 | C34 | 118.2° | 120.0° |
| C31 | S30 | N29 | H291 | 160.7° | 114.6° |
| S30 | C31 | C32 | H321 | 180.0° | 60.0° |
| S30 | C31 | C32 | H322 | 60.0° | 180.0° |
| S30 | C31 | C32 | H323 | 60.0° | 60.0° |
| S30 | C31 | C33 | H331 | 180.0° | 60.0° |
| S30 | C31 | C33 | H332 | 60.0° | 180.0° |
| S30 | C31 | C33 | H333 | 60.0° | 60.0° |
| S30 | C31 | C34 | H341 | 180.0° | 60.0° |
| S30 | C31 | C34 | H342 | 60.0° | 180.0° |
| S30 | C31 | C34 | H343 | 60.0° | 60.0° |
| O35 | S30 | C31 | C32 | 177.7° | 51.7° |
| O35 | S30 | C31 | C33 | 61.2° | 68.4° |
| O35 | S30 | C31 | C34 | 58.8° | 171.6° |
| O35 | S30 | N29 | H291 | 43.2° | 1.4° |
| O36 | S30 | C31 | C32 | 58.2° | 171.6° |
| O36 | S30 | C31 | C33 | 62.9° | 68.4° |
| O36 | S30 | C31 | C34 | 177.0° | 51.7° |
| O36 | S30 | N29 | H291 | 79.0° | 129.3° |
| C32 | C31 | C33 | C34 | 121.8° | 119.9° |
| C31 | C32 | H321 | H322 | 120.0° | 120.0° |
| C31 | C32 | H321 | H323 | 120.0° | 120.0° |
| C31 | C32 | H322 | H323 | 120.0° | 120.0° |
| C32 | C31 | C33 | H331 | 59.9° | 180.0° |
| C32 | C31 | C33 | H332 | 60.1° | 60.0° |
| C32 | C31 | C33 | H333 | 180.0° | 60.0° |
| C32 | C31 | C34 | H341 | 60.4° | 60.0° |
| C32 | C31 | C34 | H342 | 179.6° | 60.0° |
| C32 | C31 | C34 | H343 | 59.6° | 180.0° |
| C33 | C31 | C32 | H321 | 61.9° | 60.1° |
| C33 | C31 | C32 | H322 | 178.1° | 60.0° |
| C33 | C31 | C32 | H323 | 58.1° | 180.0° |
| C31 | C33 | H331 | H332 | 120.0° | 120.0° |
| C31 | C33 | H331 | H333 | 120.0° | 120.0° |
| C31 | C33 | H332 | H333 | 120.0° | 120.0° |
| C33 | C31 | C34 | H341 | 63.0° | 180.0° |
| C33 | C31 | C34 | H342 | 57.0° | 60.0° |
| C33 | C31 | C34 | H343 | 177.0° | 60.0° |
| C34 | C31 | C32 | H321 | 61.3° | 180.0° |
| C34 | C31 | C32 | H322 | 58.7° | 60.0° |
| C34 | C31 | C32 | H323 | 178.7° | 60.0° |
| C34 | C31 | C33 | H331 | 61.9° | 60.0° |
| C34 | C31 | C33 | H332 | 178.1° | 60.0° |
| C34 | C31 | C33 | H333 | 58.2° | 180.0° |
| C31 | C34 | H341 | H342 | 120.0° | 120.0° |
| C31 | C34 | H341 | H343 | 120.0° | 120.0° |
| C31 | C34 | H342 | H343 | 120.0° | 120.0° |
| H131 | C13 | C12 | H121 | 1.3° | 0.2° |
| H201 | C20 | H202 | H203 | 120.0° | 119.9° |
| H241 | C24 | C25 | H251 | 1.1° | 0.3° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H031 | C03 | C04 | H041 | 48.7° | 58.5° |
| H031 | C03 | C04 | H042 | 70.6° | 61.7° |
| H032 | C03 | C04 | H041 | 168.5° | 178.5° |
| H032 | C03 | C04 | H042 | 49.1° | 58.3° |
| H051 | C05 | C06 | H061 | 50.4° | 58.4° |
| H051 | C05 | C06 | H062 | 169.6° | 178.5° |
| H052 | C05 | C06 | H061 | 69.7° | 61.7° |
| H052 | C05 | C06 | H062 | 49.6° | 58.4° |
| H321 | C32 | H322 | H323 | 120.0° | 120.0° |
| H331 | C33 | H332 | H333 | 120.0° | 120.0° |
| H341 | C34 | H342 | H343 | 119.9° | 120.0° |
