POV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C12 | sing | 1.47Å | 1.51Å | |
| N | C13 | sing | 1.47Å | 1.49Å | |
| N | C14 | sing | 1.47Å | 1.48Å | |
| N | C15 | sing | 1.47Å | 1.49Å | |
| P | O11 | sing | 1.61Å | 1.60Å | |
| P | O12 | sing | 1.61Å | 1.62Å | |
| P | O13 | sing | 1.55Å | 1.48Å | |
| P | O14 | doub | 1.54Å | 1.47Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | O11 | sing | 1.43Å | 1.41Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | O21 | sing | 1.45Å | 1.39Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | O31 | sing | 1.45Å | 1.37Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C210 | C211 | sing | 1.51Å | 1.52Å | |
| C210 | C29 | doub | 1.31Å | 1.35Å | |
| C210 | H210 | sing | 1.08Å | 1.08Å | |
| C310 | C311 | sing | 1.53Å | 1.54Å | |
| C310 | C39 | sing | 1.53Å | 1.54Å | |
| C310 | H310 | sing | 1.09Å | 1.10Å | |
| C310 | H31A | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | O12 | sing | 1.43Å | 1.41Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C211 | C212 | sing | 1.53Å | 1.54Å | |
| C211 | H211 | sing | 1.09Å | 1.10Å | |
| C211 | H21A | sing | 1.09Å | 1.10Å | |
| C311 | C312 | sing | 1.53Å | 1.54Å | |
| C311 | H311 | sing | 1.09Å | 1.10Å | |
| C311 | H31B | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C212 | C213 | sing | 1.53Å | 1.54Å | |
| C212 | H212 | sing | 1.09Å | 1.10Å | |
| C212 | H21B | sing | 1.09Å | 1.10Å | |
| C312 | C313 | sing | 1.53Å | 1.53Å | |
| C312 | H312 | sing | 1.09Å | 1.10Å | |
| C312 | H31C | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C213 | C214 | sing | 1.53Å | 1.55Å | |
| C213 | H213 | sing | 1.09Å | 1.10Å | |
| C213 | H21C | sing | 1.09Å | 1.10Å | |
| C313 | C314 | sing | 1.53Å | 1.54Å | |
| C313 | H313 | sing | 1.09Å | 1.10Å | |
| C313 | H31D | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C214 | C215 | sing | 1.53Å | 1.54Å | |
| C214 | H214 | sing | 1.09Å | 1.10Å | |
| C214 | H21D | sing | 1.09Å | 1.10Å | |
| C314 | C315 | sing | 1.53Å | 1.53Å | |
| C314 | H314 | sing | 1.09Å | 1.10Å | |
| C314 | H31E | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C215 | C216 | sing | 1.53Å | 1.54Å | |
| C215 | H215 | sing | 1.09Å | 1.10Å | |
| C215 | H21E | sing | 1.09Å | 1.10Å | |
| C315 | C316 | sing | 1.53Å | 1.54Å | |
| C315 | H315 | sing | 1.09Å | 1.10Å | |
| C315 | H31F | sing | 1.09Å | 1.10Å | |
| C216 | C217 | sing | 1.53Å | 1.53Å | |
| C216 | H216 | sing | 1.09Å | 1.10Å | |
| C216 | H21F | sing | 1.09Å | 1.10Å | |
| C316 | H316 | sing | 1.09Å | 1.10Å | |
| C316 | H31G | sing | 1.09Å | 1.10Å | |
| C316 | H31H | sing | 1.09Å | 1.10Å | |
| C217 | C218 | sing | 1.53Å | 1.53Å | |
| C217 | H217 | sing | 1.09Å | 1.10Å | |
| C217 | H21G | sing | 1.09Å | 1.10Å | |
| C218 | H218 | sing | 1.09Å | 1.10Å | |
| C218 | H21H | sing | 1.09Å | 1.10Å | |
| C218 | H21J | sing | 1.09Å | 1.10Å | |
| C21 | O21 | sing | 1.34Å | 1.36Å | |
| C21 | C22 | sing | 1.51Å | 1.53Å | |
| C21 | O22 | doub | 1.21Å | 1.23Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.54Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.51Å | 1.52Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | O31 | sing | 1.34Å | 1.36Å | |
| C31 | C32 | sing | 1.51Å | 1.53Å | |
| C31 | O32 | doub | 1.21Å | 1.24Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | C34 | sing | 1.53Å | 1.54Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.53Å | 1.54Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C38 | C39 | sing | 1.53Å | 1.54Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | N | C13 | 112.4° | 109.5° |
| C12 | N | C14 | 112.1° | 109.5° |
| C12 | N | C15 | 107.1° | 109.5° |
| N | C12 | C11 | 116.8° | 109.5° |
| N | C12 | H12 | 107.1° | 109.4° |
| N | C12 | H12A | 107.1° | 109.5° |
| C13 | N | C14 | 109.3° | 109.5° |
| C13 | N | C15 | 107.9° | 109.5° |
| N | C13 | H13 | 109.5° | 109.5° |
| N | C13 | H13A | 109.5° | 109.5° |
| N | C13 | H13B | 109.4° | 109.5° |
| C14 | N | C15 | 107.8° | 109.5° |
| N | C14 | H14 | 109.5° | 109.5° |
| N | C14 | H14A | 109.4° | 109.5° |
| N | C14 | H14B | 109.5° | 109.5° |
| N | C15 | H15 | 109.5° | 109.5° |
| N | C15 | H15A | 109.4° | 109.5° |
| N | C15 | H15B | 109.5° | 109.4° |
| O11 | P | O12 | 101.5° | 109.5° |
| O11 | P | O13 | 108.3° | 109.4° |
| O11 | P | O14 | 108.9° | 109.5° |
| P | O11 | C1 | 122.1° | 123.0° |
| O12 | P | O13 | 109.3° | 109.5° |
| O12 | P | O14 | 108.2° | 109.5° |
| P | O12 | C11 | 122.5° | 123.0° |
| O13 | P | O14 | 119.2° | 109.5° |
| C2 | C1 | O11 | 112.0° | 109.5° |
| C2 | C1 | H1 | 108.6° | 109.4° |
| C2 | C1 | H1A | 108.6° | 109.5° |
| C1 | C2 | C3 | 110.4° | 109.5° |
| C1 | C2 | O21 | 107.5° | 109.5° |
| C1 | C2 | H2 | 111.0° | 109.5° |
| O11 | C1 | H1 | 108.7° | 109.4° |
| O11 | C1 | H1A | 108.7° | 109.5° |
| H1 | C1 | H1A | 110.2° | 109.5° |
| C3 | C2 | O21 | 111.9° | 109.5° |
| C3 | C2 | H2 | 106.6° | 109.4° |
| C2 | C3 | O31 | 110.2° | 109.4° |
| C2 | C3 | H3 | 109.2° | 109.5° |
| C2 | C3 | H3A | 109.2° | 109.5° |
| O21 | C2 | H2 | 109.5° | 109.4° |
| C2 | O21 | C21 | 118.3° | 117.0° |
| O31 | C3 | H3 | 109.2° | 109.4° |
| O31 | C3 | H3A | 109.3° | 109.5° |
| C3 | O31 | C31 | 116.4° | 117.0° |
| H3 | C3 | H3A | 109.7° | 109.5° |
| C211 | C210 | C29 | 127.4° | 120.0° |
| C211 | C210 | H210 | 116.3° | 120.0° |
| C210 | C211 | C212 | 111.9° | 109.5° |
| C210 | C211 | H211 | 108.7° | 109.5° |
| C210 | C211 | H21A | 108.7° | 109.5° |
| C29 | C210 | H210 | 116.3° | 120.0° |
| C210 | C29 | C28 | 126.6° | 119.9° |
| C210 | C29 | H29 | 116.7° | 120.0° |
| C311 | C310 | C39 | 114.2° | 109.5° |
| C311 | C310 | H310 | 107.9° | 109.5° |
| C311 | C310 | H31A | 107.9° | 109.5° |
| C310 | C311 | C312 | 116.4° | 109.5° |
| C310 | C311 | H311 | 107.2° | 109.5° |
| C310 | C311 | H31B | 107.2° | 109.5° |
| C39 | C310 | H310 | 107.9° | 109.5° |
| C39 | C310 | H31A | 107.9° | 109.5° |
| C310 | C39 | C38 | 116.3° | 109.5° |
| C310 | C39 | H39 | 107.2° | 109.5° |
| C310 | C39 | H39A | 107.2° | 109.5° |
| H310 | C310 | H31A | 111.0° | 109.4° |
| C12 | C11 | O12 | 113.2° | 109.5° |
| C12 | C11 | H11 | 108.2° | 109.5° |
| C12 | C11 | H11A | 108.3° | 109.5° |
| C11 | C12 | H12 | 107.1° | 109.5° |
| C11 | C12 | H12A | 107.1° | 109.5° |
| O12 | C11 | H11 | 108.2° | 109.5° |
| O12 | C11 | H11A | 108.2° | 109.5° |
| H11 | C11 | H11A | 110.7° | 109.5° |
| C212 | C211 | H211 | 108.6° | 109.5° |
| C212 | C211 | H21A | 108.7° | 109.5° |
| C211 | C212 | C213 | 116.1° | 109.5° |
| C211 | C212 | H212 | 107.3° | 109.4° |
| C211 | C212 | H21B | 107.3° | 109.5° |
| H211 | C211 | H21A | 110.2° | 109.5° |
| C312 | C311 | H311 | 107.2° | 109.5° |
| C312 | C311 | H31B | 107.2° | 109.5° |
| C311 | C312 | C313 | 115.5° | 109.5° |
| C311 | C312 | H312 | 107.5° | 109.5° |
| C311 | C312 | H31C | 107.5° | 109.5° |
| H311 | C311 | H31B | 111.6° | 109.5° |
| H12 | C12 | H12A | 111.7° | 109.5° |
| C213 | C212 | H212 | 107.3° | 109.5° |
| C213 | C212 | H21B | 107.3° | 109.5° |
| C212 | C213 | C214 | 114.0° | 109.5° |
| C212 | C213 | H213 | 108.0° | 109.5° |
| C212 | C213 | H21C | 108.0° | 109.5° |
| H212 | C212 | H21B | 111.6° | 109.4° |
| C313 | C312 | H312 | 107.5° | 109.5° |
| C313 | C312 | H31C | 107.5° | 109.4° |
| C312 | C313 | C314 | 113.3° | 109.5° |
| C312 | C313 | H313 | 108.2° | 109.4° |
| C312 | C313 | H31D | 108.2° | 109.4° |
| H312 | C312 | H31C | 111.3° | 109.4° |
| H13 | C13 | H13A | 109.4° | 109.5° |
| H13 | C13 | H13B | 109.5° | 109.5° |
| H13A | C13 | H13B | 109.5° | 109.4° |
| C214 | C213 | H213 | 108.0° | 109.5° |
| C214 | C213 | H21C | 108.0° | 109.4° |
| C213 | C214 | C215 | 112.2° | 109.5° |
| C213 | C214 | H214 | 108.6° | 109.4° |
| C213 | C214 | H21D | 108.6° | 109.4° |
| H213 | C213 | H21C | 110.9° | 109.5° |
| C314 | C313 | H313 | 108.2° | 109.5° |
| C314 | C313 | H31D | 108.2° | 109.5° |
| C313 | C314 | C315 | 114.3° | 109.4° |
| C313 | C314 | H314 | 107.9° | 109.4° |
| C313 | C314 | H31E | 107.9° | 109.5° |
| H313 | C313 | H31D | 110.7° | 109.5° |
| H14 | C14 | H14A | 109.4° | 109.5° |
| H14 | C14 | H14B | 109.4° | 109.5° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| C215 | C214 | H214 | 108.5° | 109.5° |
| C215 | C214 | H21D | 108.6° | 109.5° |
| C214 | C215 | C216 | 113.6° | 109.5° |
| C214 | C215 | H215 | 108.1° | 109.5° |
| C214 | C215 | H21E | 108.1° | 109.5° |
| H214 | C214 | H21D | 110.4° | 109.5° |
| C315 | C314 | H314 | 107.9° | 109.5° |
| C315 | C314 | H31E | 107.9° | 109.5° |
| C314 | C315 | C316 | 114.3° | 109.5° |
| C314 | C315 | H315 | 107.9° | 109.5° |
| C314 | C315 | H31F | 107.9° | 109.4° |
| H314 | C314 | H31E | 111.0° | 109.5° |
| H15 | C15 | H15A | 109.5° | 109.5° |
| H15 | C15 | H15B | 109.4° | 109.4° |
| H15A | C15 | H15B | 109.5° | 109.5° |
| C216 | C215 | H215 | 108.1° | 109.5° |
| C216 | C215 | H21E | 108.1° | 109.5° |
| C215 | C216 | C217 | 113.7° | 109.5° |
| C215 | C216 | H216 | 108.1° | 109.4° |
| C215 | C216 | H21F | 108.1° | 109.4° |
| H215 | C215 | H21E | 110.8° | 109.4° |
| C316 | C315 | H315 | 107.9° | 109.5° |
| C316 | C315 | H31F | 107.9° | 109.5° |
| C315 | C316 | H316 | 109.5° | 109.5° |
| C315 | C316 | H31G | 109.5° | 109.5° |
| C315 | C316 | H31H | 109.5° | 109.5° |
| H315 | C315 | H31F | 111.0° | 109.5° |
| C217 | C216 | H216 | 108.1° | 109.5° |
| C217 | C216 | H21F | 108.1° | 109.5° |
| C216 | C217 | C218 | 112.6° | 109.5° |
| C216 | C217 | H217 | 108.4° | 109.5° |
| C216 | C217 | H21G | 108.5° | 109.5° |
| H216 | C216 | H21F | 110.8° | 109.5° |
| H316 | C316 | H31G | 109.5° | 109.5° |
| H316 | C316 | H31H | 109.5° | 109.5° |
| H31G | C316 | H31H | 109.5° | 109.5° |
| C218 | C217 | H217 | 108.5° | 109.5° |
| C218 | C217 | H21G | 108.4° | 109.5° |
| C217 | C218 | H218 | 109.5° | 109.4° |
| C217 | C218 | H21H | 109.5° | 109.5° |
| C217 | C218 | H21J | 109.5° | 109.5° |
| H217 | C217 | H21G | 110.5° | 109.5° |
| H218 | C218 | H21H | 109.5° | 109.5° |
| H218 | C218 | H21J | 109.5° | 109.5° |
| H21H | C218 | H21J | 109.4° | 109.5° |
| O21 | C21 | C22 | 111.7° | 120.0° |
| O21 | C21 | O22 | 125.6° | 120.0° |
| C22 | C21 | O22 | 121.5° | 120.0° |
| C21 | C22 | C23 | 115.6° | 109.5° |
| C21 | C22 | H22 | 107.5° | 109.5° |
| C21 | C22 | H22A | 107.4° | 109.5° |
| C23 | C22 | H22 | 107.5° | 109.4° |
| C23 | C22 | H22A | 107.5° | 109.5° |
| C22 | C23 | C24 | 110.1° | 109.5° |
| C22 | C23 | H23 | 109.2° | 109.4° |
| C22 | C23 | H23A | 109.2° | 109.5° |
| H22 | C22 | H22A | 111.4° | 109.5° |
| C24 | C23 | H23 | 109.3° | 109.5° |
| C24 | C23 | H23A | 109.3° | 109.5° |
| C23 | C24 | C25 | 116.0° | 109.5° |
| C23 | C24 | H24 | 107.4° | 109.5° |
| C23 | C24 | H24A | 107.3° | 109.5° |
| H23 | C23 | H23A | 109.7° | 109.4° |
| C25 | C24 | H24 | 107.3° | 109.4° |
| C25 | C24 | H24A | 107.3° | 109.5° |
| C24 | C25 | C26 | 110.9° | 109.5° |
| C24 | C25 | H25 | 109.0° | 109.4° |
| C24 | C25 | H25A | 109.0° | 109.5° |
| H24 | C24 | H24A | 111.5° | 109.5° |
| C26 | C25 | H25 | 109.0° | 109.5° |
| C26 | C25 | H25A | 109.0° | 109.5° |
| C25 | C26 | C27 | 115.4° | 109.5° |
| C25 | C26 | H26 | 107.5° | 109.4° |
| C25 | C26 | H26A | 107.5° | 109.4° |
| H25 | C25 | H25A | 109.9° | 109.4° |
| C27 | C26 | H26 | 107.6° | 109.5° |
| C27 | C26 | H26A | 107.6° | 109.6° |
| C26 | C27 | C28 | 111.6° | 109.4° |
| C26 | C27 | H27 | 108.8° | 109.5° |
| C26 | C27 | H27A | 108.8° | 109.5° |
| H26 | C26 | H26A | 111.3° | 109.5° |
| C28 | C27 | H27 | 108.8° | 109.4° |
| C28 | C27 | H27A | 108.8° | 109.5° |
| C27 | C28 | C29 | 112.6° | 109.5° |
| C27 | C28 | H28 | 108.4° | 109.4° |
| C27 | C28 | H28A | 108.4° | 109.4° |
| H27 | C27 | H27A | 110.1° | 109.5° |
| C29 | C28 | H28 | 108.4° | 109.5° |
| C29 | C28 | H28A | 108.4° | 109.4° |
| C28 | C29 | H29 | 116.7° | 120.0° |
| H28 | C28 | H28A | 110.5° | 109.5° |
| O31 | C31 | C32 | 108.0° | 120.0° |
| O31 | C31 | O32 | 125.9° | 120.0° |
| C32 | C31 | O32 | 120.7° | 120.0° |
| C31 | C32 | C33 | 114.2° | 109.5° |
| C31 | C32 | H32 | 107.9° | 109.5° |
| C31 | C32 | H32A | 107.9° | 109.5° |
| C33 | C32 | H32 | 107.9° | 109.4° |
| C33 | C32 | H32A | 107.9° | 109.5° |
| C32 | C33 | C34 | 111.2° | 109.5° |
| C32 | C33 | H33 | 108.9° | 109.5° |
| C32 | C33 | H33A | 108.9° | 109.5° |
| H32 | C32 | H32A | 111.0° | 109.5° |
| C34 | C33 | H33 | 108.9° | 109.5° |
| C34 | C33 | H33A | 108.9° | 109.5° |
| C33 | C34 | C35 | 113.0° | 109.5° |
| C33 | C34 | H34 | 108.3° | 109.5° |
| C33 | C34 | H34A | 108.3° | 109.4° |
| H33 | C33 | H33A | 110.1° | 109.5° |
| C35 | C34 | H34 | 108.3° | 109.5° |
| C35 | C34 | H34A | 108.3° | 109.5° |
| C34 | C35 | C36 | 113.1° | 109.5° |
| C34 | C35 | H35 | 108.3° | 109.5° |
| C34 | C35 | H35A | 108.3° | 109.5° |
| H34 | C34 | H34A | 110.6° | 109.5° |
| C36 | C35 | H35 | 108.3° | 109.4° |
| C36 | C35 | H35A | 108.3° | 109.5° |
| C35 | C36 | C37 | 116.2° | 109.5° |
| C35 | C36 | H36 | 107.3° | 109.4° |
| C35 | C36 | H36A | 107.3° | 109.5° |
| H35 | C35 | H35A | 110.6° | 109.5° |
| C37 | C36 | H36 | 107.3° | 109.5° |
| C37 | C36 | H36A | 107.3° | 109.5° |
| C36 | C37 | C38 | 112.7° | 109.5° |
| C36 | C37 | H37 | 108.4° | 109.5° |
| C36 | C37 | H37A | 108.4° | 109.5° |
| H36 | C36 | H36A | 111.6° | 109.5° |
| C38 | C37 | H37 | 108.4° | 109.4° |
| C38 | C37 | H37A | 108.4° | 109.5° |
| C37 | C38 | C39 | 118.0° | 109.5° |
| C37 | C38 | H38 | 106.7° | 109.5° |
| C37 | C38 | H38A | 106.7° | 109.4° |
| H37 | C37 | H37A | 110.5° | 109.4° |
| C39 | C38 | H38 | 106.7° | 109.5° |
| C39 | C38 | H38A | 106.7° | 109.5° |
| C38 | C39 | H39 | 107.2° | 109.5° |
| C38 | C39 | H39A | 107.2° | 109.4° |
| H38 | C38 | H38A | 112.1° | 109.5° |
| H39 | C39 | H39A | 111.6° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | N | C13 | C14 | 125.1° | 120.0° |
| C12 | N | C13 | C15 | 117.9° | 120.0° |
| C12 | N | C14 | C15 | 117.7° | 120.0° |
| N | C12 | C11 | H12 | 120.0° | 120.0° |
| N | C12 | C11 | H12A | 120.0° | 120.0° |
| N | C12 | C11 | O12 | 68.3° | 67.6° |
| N | C12 | C11 | H11 | 51.6° | 172.4° |
| N | C12 | C11 | H11A | 171.7° | 52.4° |
| N | C12 | H12 | H12A | 117.0° | 120.0° |
| C12 | N | C13 | H13 | 180.0° | 60.0° |
| C12 | N | C13 | H13A | 60.0° | 180.0° |
| C12 | N | C13 | H13B | 60.0° | 60.0° |
| C12 | N | C14 | H14 | 180.0° | 60.0° |
| C12 | N | C14 | H14A | 60.0° | 180.0° |
| C12 | N | C14 | H14B | 60.0° | 60.0° |
| C12 | N | C15 | H15 | 180.0° | 76.5° |
| C12 | N | C15 | H15A | 60.0° | 163.4° |
| C12 | N | C15 | H15B | 60.0° | 43.4° |
| C13 | N | C14 | C15 | 117.0° | 120.0° |
| C13 | N | C12 | C11 | 57.2° | 53.1° |
| C13 | N | C12 | H12 | 62.8° | 173.1° |
| C13 | N | C12 | H12A | 177.2° | 66.9° |
| N | C13 | H13 | H13A | 120.0° | 120.0° |
| N | C13 | H13 | H13B | 120.0° | 120.0° |
| N | C13 | H13A | H13B | 120.0° | 120.0° |
| C13 | N | C14 | H14 | 54.7° | 180.0° |
| C13 | N | C14 | H14A | 65.3° | 60.0° |
| C13 | N | C14 | H14B | 174.7° | 60.0° |
| C13 | N | C15 | H15 | 58.8° | 43.5° |
| C13 | N | C15 | H15A | 178.8° | 76.6° |
| C13 | N | C15 | H15B | 61.2° | 163.4° |
| C14 | N | C12 | C11 | 66.4° | 173.1° |
| C14 | N | C12 | H12 | 173.6° | 66.9° |
| C14 | N | C12 | H12A | 53.6° | 53.1° |
| C14 | N | C13 | H13 | 54.9° | 60.0° |
| C14 | N | C13 | H13A | 174.8° | 60.0° |
| C14 | N | C13 | H13B | 65.1° | 180.0° |
| N | C14 | H14 | H14A | 120.0° | 120.0° |
| N | C14 | H14 | H14B | 120.0° | 120.0° |
| N | C14 | H14A | H14B | 120.0° | 120.0° |
| C14 | N | C15 | H15 | 59.2° | 163.4° |
| C14 | N | C15 | H15A | 60.8° | 43.4° |
| C14 | N | C15 | H15B | 179.1° | 76.6° |
| C15 | N | C12 | C11 | 175.5° | 66.9° |
| C15 | N | C12 | H12 | 55.5° | 53.1° |
| C15 | N | C12 | H12A | 64.5° | 173.1° |
| C15 | N | C13 | H13 | 62.1° | 180.0° |
| C15 | N | C13 | H13A | 57.9° | 60.0° |
| C15 | N | C13 | H13B | 177.9° | 60.0° |
| C15 | N | C14 | H14 | 62.3° | 60.0° |
| C15 | N | C14 | H14A | 177.7° | 60.0° |
| C15 | N | C14 | H14B | 57.7° | 180.0° |
| N | C15 | H15 | H15A | 120.0° | 120.0° |
| N | C15 | H15 | H15B | 120.0° | 119.9° |
| N | C15 | H15A | H15B | 120.0° | 120.0° |
| O11 | P | O12 | O13 | 114.2° | 120.0° |
| O11 | P | O12 | O14 | 114.5° | 120.0° |
| O11 | P | O13 | O14 | 125.2° | 120.0° |
| P | O11 | C1 | C2 | 104.0° | 180.0° |
| P | O11 | C1 | H1 | 136.0° | 60.1° |
| P | O11 | C1 | H1A | 16.0° | 60.0° |
| O11 | P | O12 | C11 | 163.7° | 175.0° |
| O12 | P | O13 | O14 | 125.1° | 120.1° |
| O12 | P | O11 | C1 | 72.7° | 175.0° |
| P | O12 | C11 | C12 | 74.0° | 180.0° |
| P | O12 | C11 | H11 | 166.0° | 60.0° |
| P | O12 | C11 | H11A | 46.0° | 60.0° |
| O13 | P | O11 | C1 | 42.2° | 65.0° |
| O13 | P | O12 | C11 | 82.1° | 65.0° |
| O14 | P | O11 | C1 | 173.3° | 54.9° |
| O14 | P | O12 | C11 | 49.1° | 55.0° |
| C2 | C1 | O11 | H1 | 120.0° | 119.9° |
| C2 | C1 | O11 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1A | 119.0° | 120.0° |
| C1 | C2 | C3 | O21 | 119.7° | 120.1° |
| C1 | C2 | C3 | H2 | 120.6° | 120.0° |
| C1 | C2 | O21 | H2 | 120.7° | 120.0° |
| C1 | C2 | C3 | O31 | 71.9° | 55.0° |
| C1 | C2 | C3 | H3 | 48.1° | 64.9° |
| C1 | C2 | C3 | H3A | 168.1° | 175.0° |
| C1 | C2 | O21 | C21 | 169.6° | 90.0° |
| O11 | C1 | H1 | H1A | 119.0° | 120.0° |
| O11 | C1 | C2 | C3 | 58.6° | 55.1° |
| O11 | C1 | C2 | O21 | 179.0° | 65.0° |
| O11 | C1 | C2 | H2 | 59.3° | 175.0° |
| H1 | C1 | C2 | C3 | 61.4° | 175.0° |
| H1 | C1 | C2 | O21 | 60.9° | 54.9° |
| H1 | C1 | C2 | H2 | 179.4° | 65.0° |
| H1A | C1 | C2 | C3 | 178.6° | 65.0° |
| H1A | C1 | C2 | O21 | 59.0° | 174.9° |
| H1A | C1 | C2 | H2 | 60.7° | 55.0° |
| C3 | C2 | O21 | H2 | 117.9° | 119.9° |
| C2 | C3 | O31 | H3 | 120.0° | 120.0° |
| C2 | C3 | O31 | H3A | 120.0° | 120.0° |
| C2 | C3 | H3 | H3A | 119.7° | 120.1° |
| C3 | C2 | O21 | C21 | 69.0° | 150.0° |
| C2 | C3 | O31 | C31 | 178.1° | 180.0° |
| O21 | C2 | C3 | O31 | 47.8° | 65.0° |
| O21 | C2 | C3 | H3 | 167.8° | 175.0° |
| O21 | C2 | C3 | H3A | 72.2° | 54.9° |
| C2 | O21 | C21 | C22 | 177.3° | 180.0° |
| C2 | O21 | C21 | O22 | 10.0° | 0.0° |
| H2 | C2 | C3 | O31 | 167.4° | 175.0° |
| H2 | C2 | C3 | H3 | 72.6° | 55.1° |
| H2 | C2 | C3 | H3A | 47.4° | 65.0° |
| H2 | C2 | O21 | C21 | 48.9° | 30.0° |
| O31 | C3 | H3 | H3A | 119.7° | 120.0° |
| C3 | O31 | C31 | C32 | 159.8° | 180.0° |
| C3 | O31 | C31 | O32 | 5.9° | 0.0° |
| H3 | C3 | O31 | C31 | 58.1° | 60.0° |
| H3A | C3 | O31 | C31 | 61.9° | 60.0° |
| C211 | C210 | C29 | H210 | 180.0° | 180.0° |
| C210 | C211 | C212 | H211 | 120.0° | 120.0° |
| C210 | C211 | C212 | H21A | 120.0° | 120.0° |
| C210 | C211 | H211 | H21A | 119.0° | 120.0° |
| C210 | C211 | C212 | C213 | 63.8° | 180.0° |
| C210 | C211 | C212 | H212 | 56.2° | 59.9° |
| C210 | C211 | C212 | H21B | 176.3° | 60.0° |
| C211 | C210 | C29 | C28 | 1.3° | 7.1° |
| C211 | C210 | C29 | H29 | 178.7° | 172.9° |
| C29 | C210 | C211 | C212 | 141.9° | 126.4° |
| C29 | C210 | C211 | H211 | 22.0° | 113.6° |
| C29 | C210 | C211 | H21A | 98.0° | 6.4° |
| C210 | C29 | C28 | C27 | 133.6° | 126.4° |
| C210 | C29 | C28 | H29 | 180.0° | 180.0° |
| C210 | C29 | C28 | H28 | 106.4° | 6.4° |
| C210 | C29 | C28 | H28A | 13.6° | 113.7° |
| H210 | C210 | C211 | C212 | 38.1° | 53.6° |
| H210 | C210 | C211 | H211 | 158.1° | 66.4° |
| H210 | C210 | C211 | H21A | 81.9° | 173.6° |
| H210 | C210 | C29 | C28 | 178.8° | 172.9° |
| H210 | C210 | C29 | H29 | 1.2° | 7.1° |
| C311 | C310 | C39 | H310 | 120.0° | 120.1° |
| C311 | C310 | C39 | H31A | 120.0° | 120.0° |
| C311 | C310 | H310 | H31A | 118.1° | 120.0° |
| C310 | C311 | C312 | H311 | 120.0° | 120.0° |
| C310 | C311 | C312 | H31B | 120.0° | 120.0° |
| C310 | C311 | H311 | H31B | 117.1° | 120.0° |
| C310 | C311 | C312 | C313 | 78.5° | 180.0° |
| C310 | C311 | C312 | H312 | 41.5° | 60.0° |
| C310 | C311 | C312 | H31C | 161.5° | 60.0° |
| C311 | C310 | C39 | C38 | 148.5° | 180.0° |
| C311 | C310 | C39 | H39 | 91.5° | 59.9° |
| C311 | C310 | C39 | H39A | 28.5° | 60.0° |
| C39 | C310 | H310 | H31A | 118.1° | 120.0° |
| C39 | C310 | C311 | C312 | 89.0° | 179.9° |
| C39 | C310 | C311 | H311 | 151.0° | 60.0° |
| C39 | C310 | C311 | H31B | 31.0° | 60.0° |
| C310 | C39 | C38 | C37 | 51.4° | 180.0° |
| C310 | C39 | C38 | H39 | 120.0° | 120.1° |
| C310 | C39 | C38 | H39A | 120.0° | 120.0° |
| C310 | C39 | C38 | H38 | 171.4° | 60.0° |
| C310 | C39 | C38 | H38A | 68.6° | 60.0° |
| C310 | C39 | H39 | H39A | 117.2° | 120.0° |
| H310 | C310 | C311 | C312 | 151.0° | 60.0° |
| H310 | C310 | C311 | H311 | 31.0° | 60.1° |
| H310 | C310 | C311 | H31B | 89.0° | 180.0° |
| H310 | C310 | C39 | C38 | 28.5° | 59.9° |
| H310 | C310 | C39 | H39 | 148.5° | 180.0° |
| H310 | C310 | C39 | H39A | 91.5° | 60.0° |
| H31A | C310 | C311 | C312 | 31.0° | 60.0° |
| H31A | C310 | C311 | H311 | 89.0° | 180.0° |
| H31A | C310 | C311 | H31B | 151.0° | 60.0° |
| H31A | C310 | C39 | C38 | 91.5° | 60.0° |
| H31A | C310 | C39 | H39 | 28.5° | 60.0° |
| H31A | C310 | C39 | H39A | 148.5° | 180.0° |
| C12 | C11 | O12 | H11 | 120.0° | 120.0° |
| C12 | C11 | O12 | H11A | 120.0° | 120.0° |
| C12 | C11 | H11 | H11A | 118.5° | 120.0° |
| C11 | C12 | H12 | H12A | 117.0° | 120.0° |
| O12 | C11 | H11 | H11A | 118.5° | 120.0° |
| O12 | C11 | C12 | H12 | 171.7° | 52.3° |
| O12 | C11 | C12 | H12A | 51.7° | 172.4° |
| H11 | C11 | C12 | H12 | 68.3° | 67.7° |
| H11 | C11 | C12 | H12A | 171.7° | 52.4° |
| H11A | C11 | C12 | H12 | 51.7° | 172.3° |
| H11A | C11 | C12 | H12A | 68.3° | 67.6° |
| C212 | C211 | H211 | H21A | 119.0° | 120.0° |
| C211 | C212 | C213 | H212 | 120.0° | 120.0° |
| C211 | C212 | C213 | H21B | 120.0° | 120.0° |
| C211 | C212 | H212 | H21B | 117.3° | 119.9° |
| C211 | C212 | C213 | C214 | 51.6° | 180.0° |
| C211 | C212 | C213 | H213 | 68.4° | 60.0° |
| C211 | C212 | C213 | H21C | 171.6° | 60.0° |
| H211 | C211 | C212 | C213 | 176.2° | 60.0° |
| H211 | C211 | C212 | H212 | 63.8° | 180.0° |
| H211 | C211 | C212 | H21B | 56.2° | 60.0° |
| H21A | C211 | C212 | C213 | 56.2° | 60.0° |
| H21A | C211 | C212 | H212 | 176.2° | 60.1° |
| H21A | C211 | C212 | H21B | 63.7° | NaN° |
| C312 | C311 | H311 | H31B | 117.2° | 120.0° |
| C311 | C312 | C313 | H312 | 120.0° | 120.0° |
| C311 | C312 | C313 | H31C | 120.0° | 120.0° |
| C311 | C312 | H312 | H31C | 117.5° | 120.1° |
| C311 | C312 | C313 | C314 | 115.5° | 180.0° |
| C311 | C312 | C313 | H313 | 124.5° | 60.0° |
| C311 | C312 | C313 | H31D | 4.6° | 60.0° |
| H311 | C311 | C312 | C313 | 161.5° | 60.0° |
| H311 | C311 | C312 | H312 | 78.5° | 180.0° |
| H311 | C311 | C312 | H31C | 41.5° | 60.0° |
| H31B | C311 | C312 | C313 | 41.5° | 60.0° |
| H31B | C311 | C312 | H312 | 161.5° | 60.0° |
| H31B | C311 | C312 | H31C | 78.5° | 180.0° |
| C213 | C212 | H212 | H21B | 117.2° | 120.0° |
| C212 | C213 | C214 | H213 | 120.0° | 120.0° |
| C212 | C213 | C214 | H21C | 120.0° | 120.0° |
| C212 | C213 | H213 | H21C | 118.1° | 120.0° |
| C212 | C213 | C214 | C215 | 159.5° | 180.0° |
| C212 | C213 | C214 | H214 | 39.5° | 60.0° |
| C212 | C213 | C214 | H21D | 80.5° | 60.0° |
| H212 | C212 | C213 | C214 | 171.6° | 60.0° |
| H212 | C212 | C213 | H213 | 51.6° | 180.0° |
| H212 | C212 | C213 | H21C | 68.4° | 60.0° |
| H21B | C212 | C213 | C214 | 68.4° | 60.0° |
| H21B | C212 | C213 | H213 | 171.6° | 60.0° |
| H21B | C212 | C213 | H21C | 51.6° | 180.0° |
| C313 | C312 | H312 | H31C | 117.6° | 119.9° |
| C312 | C313 | C314 | H313 | 120.0° | 119.9° |
| C312 | C313 | C314 | H31D | 120.0° | 119.9° |
| C312 | C313 | H313 | H31D | 118.4° | 120.0° |
| C312 | C313 | C314 | C315 | 178.7° | 180.0° |
| C312 | C313 | C314 | H314 | 61.3° | 60.0° |
| C312 | C313 | C314 | H31E | 58.7° | 60.0° |
| H312 | C312 | C313 | C314 | 4.5° | 60.0° |
| H312 | C312 | C313 | H313 | 115.5° | 180.0° |
| H312 | C312 | C313 | H31D | 124.6° | 60.0° |
| H31C | C312 | C313 | C314 | 124.5° | 59.9° |
| H31C | C312 | C313 | H313 | 4.5° | 60.0° |
| H31C | C312 | C313 | H31D | 115.4° | 179.9° |
| H13 | C13 | H13A | H13B | 120.0° | 120.0° |
| C214 | C213 | H213 | H21C | 118.1° | 120.0° |
| C213 | C214 | C215 | H214 | 120.0° | 120.0° |
| C213 | C214 | C215 | H21D | 120.0° | 119.9° |
| C213 | C214 | H214 | H21D | 118.9° | 120.0° |
| C213 | C214 | C215 | C216 | 168.9° | 180.0° |
| C213 | C214 | C215 | H215 | 71.1° | 59.9° |
| C213 | C214 | C215 | H21E | 48.9° | 60.0° |
| H213 | C213 | C214 | C215 | 80.5° | 60.0° |
| H213 | C213 | C214 | H214 | 159.5° | 180.0° |
| H213 | C213 | C214 | H21D | 39.5° | 60.0° |
| H21C | C213 | C214 | C215 | 39.5° | 60.0° |
| H21C | C213 | C214 | H214 | 80.5° | 60.0° |
| H21C | C213 | C214 | H21D | 159.5° | 180.0° |
| C314 | C313 | H313 | H31D | 118.4° | 120.1° |
| C313 | C314 | C315 | H314 | 120.0° | 120.0° |
| C313 | C314 | C315 | H31E | 120.0° | 120.0° |
| C313 | C314 | H314 | H31E | 118.0° | 120.0° |
| C313 | C314 | C315 | C316 | 69.5° | 180.0° |
| C313 | C314 | C315 | H315 | 50.5° | 60.0° |
| C313 | C314 | C315 | H31F | 170.5° | 60.0° |
| H313 | C313 | C314 | C315 | 58.7° | 60.1° |
| H313 | C313 | C314 | H314 | 178.7° | 179.9° |
| H313 | C313 | C314 | H31E | 61.3° | 59.9° |
| H31D | C313 | C314 | C315 | 61.3° | 60.0° |
| H31D | C313 | C314 | H314 | 58.7° | 60.0° |
| H31D | C313 | C314 | H31E | 178.7° | 180.0° |
| H14 | C14 | H14A | H14B | 120.0° | 120.0° |
| C215 | C214 | H214 | H21D | 118.9° | 120.0° |
| C214 | C215 | C216 | H215 | 120.0° | 120.0° |
| C214 | C215 | C216 | H21E | 120.0° | 120.0° |
| C214 | C215 | H215 | H21E | 118.3° | 120.0° |
| C214 | C215 | C216 | C217 | 71.5° | 180.0° |
| C214 | C215 | C216 | H216 | 168.5° | 60.0° |
| C214 | C215 | C216 | H21F | 48.5° | 60.0° |
| H214 | C214 | C215 | C216 | 48.9° | 60.0° |
| H214 | C214 | C215 | H215 | 168.9° | 179.9° |
| H214 | C214 | C215 | H21E | 71.1° | 60.0° |
| H21D | C214 | C215 | C216 | 71.1° | 60.1° |
| H21D | C214 | C215 | H215 | 48.9° | 60.0° |
| H21D | C214 | C215 | H21E | 168.9° | 180.0° |
| C315 | C314 | H314 | H31E | 118.0° | 120.0° |
| C314 | C315 | C316 | H315 | 120.0° | 120.0° |
| C314 | C315 | C316 | H31F | 120.0° | 120.0° |
| C314 | C315 | H315 | H31F | 118.0° | 120.0° |
| C314 | C315 | C316 | H316 | 180.0° | 180.0° |
| C314 | C315 | C316 | H31G | 60.0° | 60.0° |
| C314 | C315 | C316 | H31H | 60.0° | 60.0° |
| H314 | C314 | C315 | C316 | 170.5° | 60.0° |
| H314 | C314 | C315 | H315 | 69.5° | 180.0° |
| H314 | C314 | C315 | H31F | 50.5° | 60.0° |
| H31E | C314 | C315 | C316 | 50.5° | 60.0° |
| H31E | C314 | C315 | H315 | 170.5° | 60.0° |
| H31E | C314 | C315 | H31F | 69.5° | 180.0° |
| H15 | C15 | H15A | H15B | 120.0° | 120.0° |
| C216 | C215 | H215 | H21E | 118.3° | 120.0° |
| C215 | C216 | C217 | H216 | 120.0° | 120.0° |
| C215 | C216 | C217 | H21F | 120.0° | 120.0° |
| C215 | C216 | H216 | H21F | 118.2° | 120.0° |
| C215 | C216 | C217 | C218 | 175.4° | 180.0° |
| C215 | C216 | C217 | H217 | 64.6° | 60.0° |
| C215 | C216 | C217 | H21G | 55.4° | 60.0° |
| H215 | C215 | C216 | C217 | 48.5° | 60.0° |
| H215 | C215 | C216 | H216 | 71.5° | 180.0° |
| H215 | C215 | C216 | H21F | 168.5° | 60.0° |
| H21E | C215 | C216 | C217 | 168.5° | 60.0° |
| H21E | C215 | C216 | H216 | 48.5° | 60.0° |
| H21E | C215 | C216 | H21F | 71.5° | 180.0° |
| C316 | C315 | H315 | H31F | 118.0° | 120.0° |
| C315 | C316 | H316 | H31G | 120.0° | 120.0° |
| C315 | C316 | H316 | H31H | 120.0° | 120.0° |
| C315 | C316 | H31G | H31H | 120.0° | 120.0° |
| H315 | C315 | C316 | H316 | 60.0° | 60.0° |
| H315 | C315 | C316 | H31G | 180.0° | 180.0° |
| H315 | C315 | C316 | H31H | 60.0° | 60.0° |
| H31F | C315 | C316 | H316 | 60.0° | 60.0° |
| H31F | C315 | C316 | H31G | 60.0° | 60.0° |
| H31F | C315 | C316 | H31H | 180.0° | 179.9° |
| C217 | C216 | H216 | H21F | 118.3° | 120.0° |
| C216 | C217 | C218 | H217 | 120.0° | 120.0° |
| C216 | C217 | C218 | H21G | 120.0° | 120.0° |
| C216 | C217 | H217 | H21G | 118.7° | 120.0° |
| C216 | C217 | C218 | H218 | 180.0° | 60.0° |
| C216 | C217 | C218 | H21H | 60.0° | 60.0° |
| C216 | C217 | C218 | H21J | 60.0° | 180.0° |
| H216 | C216 | C217 | C218 | 55.4° | 60.1° |
| H216 | C216 | C217 | H217 | 175.4° | 179.9° |
| H216 | C216 | C217 | H21G | 64.6° | 59.9° |
| H21F | C216 | C217 | C218 | 64.6° | 60.0° |
| H21F | C216 | C217 | H217 | 55.4° | 60.0° |
| H21F | C216 | C217 | H21G | 175.4° | 180.0° |
| H316 | C316 | H31G | H31H | 120.0° | 120.0° |
| C218 | C217 | H217 | H21G | 118.7° | 120.0° |
| C217 | C218 | H218 | H21H | 120.0° | 120.0° |
| C217 | C218 | H218 | H21J | 120.0° | 120.0° |
| C217 | C218 | H21H | H21J | 120.0° | 120.0° |
| H217 | C217 | C218 | H218 | 60.0° | 180.0° |
| H217 | C217 | C218 | H21H | 180.0° | 60.0° |
| H217 | C217 | C218 | H21J | 60.0° | 60.0° |
| H21G | C217 | C218 | H218 | 60.0° | 60.0° |
| H21G | C217 | C218 | H21H | 60.0° | 180.0° |
| H21G | C217 | C218 | H21J | 180.0° | 60.0° |
| H218 | C218 | H21H | H21J | 120.0° | 120.1° |
| O21 | C21 | C22 | O22 | 167.9° | 180.0° |
| O21 | C21 | C22 | C23 | 48.5° | 180.0° |
| O21 | C21 | C22 | H22 | 168.5° | 60.0° |
| O21 | C21 | C22 | H22A | 71.5° | 60.0° |
| C21 | C22 | C23 | H22 | 120.0° | 120.0° |
| C21 | C22 | C23 | H22A | 120.0° | 120.0° |
| C21 | C22 | H22 | H22A | 117.4° | 120.0° |
| C21 | C22 | C23 | C24 | 173.3° | 180.0° |
| C21 | C22 | C23 | H23 | 66.6° | 60.0° |
| C21 | C22 | C23 | H23A | 53.4° | 60.0° |
| O22 | C21 | C22 | C23 | 143.7° | 0.0° |
| O22 | C21 | C22 | H22 | 23.7° | 119.9° |
| O22 | C21 | C22 | H22A | 96.3° | 120.0° |
| C23 | C22 | H22 | H22A | 117.5° | 120.0° |
| C22 | C23 | C24 | H23 | 120.0° | 119.9° |
| C22 | C23 | C24 | H23A | 120.0° | 120.1° |
| C22 | C23 | H23 | H23A | 119.7° | 120.0° |
| C22 | C23 | C24 | C25 | 171.5° | NaN° |
| C22 | C23 | C24 | H24 | 68.5° | 60.1° |
| C22 | C23 | C24 | H24A | 51.6° | 59.9° |
| H22 | C22 | C23 | C24 | 53.3° | 60.1° |
| H22 | C22 | C23 | H23 | 173.4° | 180.0° |
| H22 | C22 | C23 | H23A | 66.7° | 60.0° |
| H22A | C22 | C23 | C24 | 66.7° | 59.9° |
| H22A | C22 | C23 | H23 | 53.3° | 60.0° |
| H22A | C22 | C23 | H23A | 173.3° | 180.0° |
| C24 | C23 | H23 | H23A | 119.8° | 120.1° |
| C23 | C24 | C25 | H24 | 120.0° | 119.9° |
| C23 | C24 | C25 | H24A | 120.0° | 120.1° |
| C23 | C24 | H24 | H24A | 117.3° | 120.1° |
| C23 | C24 | C25 | C26 | 171.7° | 180.0° |
| C23 | C24 | C25 | H25 | 51.7° | 60.0° |
| C23 | C24 | C25 | H25A | 68.3° | 59.9° |
| H23 | C23 | C24 | C25 | 51.5° | 60.1° |
| H23 | C23 | C24 | H24 | 171.5° | 180.0° |
| H23 | C23 | C24 | H24A | 68.4° | 60.0° |
| H23A | C23 | C24 | C25 | 68.5° | 59.9° |
| H23A | C23 | C24 | H24 | 51.5° | 60.0° |
| H23A | C23 | C24 | H24A | 171.5° | 180.0° |
| C25 | C24 | H24 | H24A | 117.3° | 120.0° |
| C24 | C25 | C26 | H25 | 120.0° | 120.0° |
| C24 | C25 | C26 | H25A | 120.0° | 120.1° |
| C24 | C25 | H25 | H25A | 119.4° | 120.0° |
| C24 | C25 | C26 | C27 | 174.6° | 180.0° |
| C24 | C25 | C26 | H26 | 65.4° | 60.0° |
| C24 | C25 | C26 | H26A | 54.6° | 59.9° |
| H24 | C24 | C25 | C26 | 68.3° | 60.1° |
| H24 | C24 | C25 | H25 | 171.7° | 180.0° |
| H24 | C24 | C25 | H25A | 51.7° | 60.0° |
| H24A | C24 | C25 | C26 | 51.7° | 59.9° |
| H24A | C24 | C25 | H25 | 68.3° | 60.1° |
| H24A | C24 | C25 | H25A | 171.7° | 180.0° |
| C26 | C25 | H25 | H25A | 119.4° | 120.0° |
| C25 | C26 | C27 | H26 | 120.0° | 119.9° |
| C25 | C26 | C27 | H26A | 120.0° | 120.0° |
| C25 | C26 | H26 | H26A | 117.5° | 119.9° |
| C25 | C26 | C27 | C28 | 166.7° | 180.0° |
| C25 | C26 | C27 | H27 | 46.6° | 60.1° |
| C25 | C26 | C27 | H27A | 73.3° | 60.0° |
| H25 | C25 | C26 | C27 | 54.6° | 60.0° |
| H25 | C25 | C26 | H26 | 174.6° | 180.0° |
| H25 | C25 | C26 | H26A | 65.4° | 60.0° |
| H25A | C25 | C26 | C27 | 65.4° | 59.9° |
| H25A | C25 | C26 | H26 | 54.6° | 60.0° |
| H25A | C25 | C26 | H26A | 174.6° | 180.0° |
| C27 | C26 | H26 | H26A | 117.6° | 120.1° |
| C26 | C27 | C28 | H27 | 120.0° | 120.0° |
| C26 | C27 | C28 | H27A | 120.0° | 120.0° |
| C26 | C27 | H27 | H27A | 119.1° | 120.1° |
| C26 | C27 | C28 | C29 | 175.3° | 180.0° |
| C26 | C27 | C28 | H28 | 55.3° | 60.0° |
| C26 | C27 | C28 | H28A | 64.8° | 60.0° |
| H26 | C26 | C27 | C28 | 73.3° | 60.0° |
| H26 | C26 | C27 | H27 | 166.7° | 180.0° |
| H26 | C26 | C27 | H27A | 46.7° | 59.9° |
| H26A | C26 | C27 | C28 | 46.7° | 60.0° |
| H26A | C26 | C27 | H27 | 73.3° | 59.9° |
| H26A | C26 | C27 | H27A | 166.7° | 180.0° |
| C28 | C27 | H27 | H27A | 119.1° | 120.0° |
| C27 | C28 | C29 | H28 | 120.0° | 120.0° |
| C27 | C28 | C29 | H28A | 120.0° | 119.9° |
| C27 | C28 | H28 | H28A | 118.7° | 120.0° |
| C27 | C28 | C29 | H29 | 46.4° | 53.6° |
| H27 | C27 | C28 | C29 | 64.7° | 60.0° |
| H27 | C27 | C28 | H28 | 175.3° | 180.0° |
| H27 | C27 | C28 | H28A | 55.2° | 60.0° |
| H27A | C27 | C28 | C29 | 55.2° | 60.0° |
| H27A | C27 | C28 | H28 | 64.8° | 60.0° |
| H27A | C27 | C28 | H28A | 175.2° | 180.0° |
| C29 | C28 | H28 | H28A | 118.7° | 120.0° |
| H28 | C28 | C29 | H29 | 73.6° | 173.6° |
| H28A | C28 | C29 | H29 | 166.4° | 66.3° |
| O31 | C31 | C32 | O32 | 155.4° | 180.0° |
| O31 | C31 | C32 | C33 | 69.2° | 180.0° |
| O31 | C31 | C32 | H32 | 170.8° | 60.1° |
| O31 | C31 | C32 | H32A | 50.8° | 60.0° |
| C31 | C32 | C33 | H32 | 120.0° | 119.9° |
| C31 | C32 | C33 | H32A | 120.0° | 120.0° |
| C31 | C32 | H32 | H32A | 118.0° | 120.0° |
| C31 | C32 | C33 | C34 | 131.1° | 180.0° |
| C31 | C32 | C33 | H33 | 11.2° | 60.0° |
| C31 | C32 | C33 | H33A | 108.9° | 60.0° |
| O32 | C31 | C32 | C33 | 135.4° | 0.0° |
| O32 | C31 | C32 | H32 | 15.3° | 120.0° |
| O32 | C31 | C32 | H32A | 104.7° | 120.0° |
| C33 | C32 | H32 | H32A | 118.1° | 120.0° |
| C32 | C33 | C34 | H33 | 120.0° | 120.0° |
| C32 | C33 | C34 | H33A | 120.0° | 120.0° |
| C32 | C33 | H33 | H33A | 119.3° | 120.0° |
| C32 | C33 | C34 | C35 | 167.8° | 180.0° |
| C32 | C33 | C34 | H34 | 47.7° | 60.0° |
| C32 | C33 | C34 | H34A | 72.2° | 60.0° |
| H32 | C32 | C33 | C34 | 108.8° | 60.0° |
| H32 | C32 | C33 | H33 | 131.2° | 180.0° |
| H32 | C32 | C33 | H33A | 11.2° | 60.0° |
| H32A | C32 | C33 | C34 | 11.2° | 60.0° |
| H32A | C32 | C33 | H33 | 108.8° | 60.0° |
| H32A | C32 | C33 | H33A | 131.2° | 180.0° |
| C34 | C33 | H33 | H33A | 119.3° | 120.0° |
| C33 | C34 | C35 | H34 | 120.0° | 120.0° |
| C33 | C34 | C35 | H34A | 120.0° | 120.0° |
| C33 | C34 | H34 | H34A | 118.6° | 120.0° |
| C33 | C34 | C35 | C36 | 158.1° | 180.0° |
| C33 | C34 | C35 | H35 | 38.1° | 60.0° |
| C33 | C34 | C35 | H35A | 81.8° | 60.0° |
| H33 | C33 | C34 | C35 | 72.3° | 60.0° |
| H33 | C33 | C34 | H34 | 167.7° | 180.0° |
| H33 | C33 | C34 | H34A | 47.7° | 60.0° |
| H33A | C33 | C34 | C35 | 47.8° | 60.0° |
| H33A | C33 | C34 | H34 | 72.2° | 60.0° |
| H33A | C33 | C34 | H34A | 167.8° | 180.0° |
| C35 | C34 | H34 | H34A | 118.5° | 120.0° |
| C34 | C35 | C36 | H35 | 120.0° | 120.0° |
| C34 | C35 | C36 | H35A | 120.0° | 120.0° |
| C34 | C35 | H35 | H35A | 118.5° | 120.0° |
| C34 | C35 | C36 | C37 | 68.7° | 180.0° |
| C34 | C35 | C36 | H36 | 51.3° | 60.0° |
| C34 | C35 | C36 | H36A | 171.3° | 60.0° |
| H34 | C34 | C35 | C36 | 81.8° | 60.0° |
| H34 | C34 | C35 | H35 | 158.2° | 180.0° |
| H34 | C34 | C35 | H35A | 38.2° | 60.0° |
| H34A | C34 | C35 | C36 | 38.1° | 60.0° |
| H34A | C34 | C35 | H35 | 81.9° | 60.0° |
| H34A | C34 | C35 | H35A | 158.1° | 180.0° |
| C36 | C35 | H35 | H35A | 118.5° | 120.0° |
| C35 | C36 | C37 | H36 | 120.0° | 119.9° |
| C35 | C36 | C37 | H36A | 120.0° | 120.0° |
| C35 | C36 | H36 | H36A | 117.2° | 120.0° |
| C35 | C36 | C37 | C38 | 168.5° | 180.0° |
| C35 | C36 | C37 | H37 | 71.5° | 60.0° |
| C35 | C36 | C37 | H37A | 48.5° | 59.9° |
| H35 | C35 | C36 | C37 | 171.3° | 60.0° |
| H35 | C35 | C36 | H36 | 68.7° | 180.0° |
| H35 | C35 | C36 | H36A | 51.3° | 60.0° |
| H35A | C35 | C36 | C37 | 51.3° | 60.0° |
| H35A | C35 | C36 | H36 | 171.3° | 60.0° |
| H35A | C35 | C36 | H36A | 68.7° | 180.0° |
| C37 | C36 | H36 | H36A | 117.3° | 120.1° |
| C36 | C37 | C38 | H37 | 120.0° | 120.0° |
| C36 | C37 | C38 | H37A | 120.0° | 120.1° |
| C36 | C37 | H37 | H37A | 118.7° | 120.0° |
| C36 | C37 | C38 | C39 | 106.1° | 180.0° |
| C36 | C37 | C38 | H38 | 133.9° | 60.0° |
| C36 | C37 | C38 | H38A | 13.9° | 60.0° |
| H36 | C36 | C37 | C38 | 48.5° | 60.1° |
| H36 | C36 | C37 | H37 | 168.5° | 179.9° |
| H36 | C36 | C37 | H37A | 71.5° | 60.0° |
| H36A | C36 | C37 | C38 | 71.5° | 60.0° |
| H36A | C36 | C37 | H37 | 48.5° | 60.0° |
| H36A | C36 | C37 | H37A | 168.5° | 179.9° |
| C38 | C37 | H37 | H37A | 118.7° | 120.0° |
| C37 | C38 | C39 | H38 | 120.0° | 120.0° |
| C37 | C38 | C39 | H38A | 120.0° | 120.0° |
| C37 | C38 | H38 | H38A | 116.5° | 120.0° |
| C37 | C38 | C39 | H39 | 171.4° | 60.0° |
| C37 | C38 | C39 | H39A | 68.5° | 60.0° |
| H37 | C37 | C38 | C39 | 13.8° | 60.0° |
| H37 | C37 | C38 | H38 | 106.2° | 180.0° |
| H37 | C37 | C38 | H38A | 133.9° | 60.0° |
| H37A | C37 | C38 | C39 | 133.8° | 59.9° |
| H37A | C37 | C38 | H38 | 13.8° | 60.1° |
| H37A | C37 | C38 | H38A | 106.2° | 180.0° |
| C39 | C38 | H38 | H38A | 116.5° | 120.0° |
| C38 | C39 | H39 | H39A | 117.2° | 119.9° |
| H38 | C38 | C39 | H39 | 68.6° | 60.1° |
| H38 | C38 | C39 | H39A | 51.4° | 180.0° |
| H38A | C38 | C39 | H39 | 51.4° | 179.9° |
| H38A | C38 | C39 | H39A | 171.4° | 60.0° |
