7Q9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C312 | C311 | sing | 1.53Å | 1.53Å | |
| C312 | C313 | sing | 1.53Å | 1.53Å | |
| C314 | C313 | sing | 1.53Å | 1.53Å | |
| C314 | C315 | sing | 1.53Å | 1.53Å | |
| C38 | C39 | sing | 1.51Å | 1.39Å | |
| C38 | C37 | sing | 1.53Å | 1.53Å | |
| C39 | C310 | doub | 1.31Å | 1.39Å | |
| C311 | C310 | sing | 1.51Å | 1.39Å | |
| C315 | C316 | sing | 1.53Å | 1.53Å | |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| C316 | C317 | sing | 1.53Å | 1.53Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C317 | C318 | sing | 1.53Å | 1.53Å | |
| C13 | N | sing | 1.47Å | 1.47Å | |
| C32 | C31 | sing | 1.51Å | 1.53Å | |
| C15 | N | sing | 1.47Å | 1.47Å | |
| N | C12 | sing | 1.47Å | 1.47Å | |
| N | C14 | sing | 1.47Å | 1.47Å | |
| O32 | C31 | doub | 1.21Å | 1.23Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C31 | O31 | sing | 1.34Å | 1.36Å | |
| C11 | O12 | sing | 1.43Å | 1.43Å | |
| O31 | C3 | sing | 1.45Å | 1.43Å | |
| O12 | P | sing | 1.61Å | 1.61Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| O21 | C2 | sing | 1.45Å | 1.44Å | |
| O21 | C21 | sing | 1.34Å | 1.36Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | C21 | sing | 1.51Å | 1.53Å | |
| P | O13 | doub | 1.48Å | 1.48Å | |
| P | O11 | sing | 1.61Å | 1.61Å | |
| P | O14 | sing | 1.61Å | 1.48Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C21 | O22 | doub | 1.21Å | 1.23Å | |
| O11 | C1 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| O14 | H16 | sing | 0.97Å | 0.95Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C32 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å | |
| C33 | H27 | sing | 1.09Å | 1.10Å | |
| C33 | H28 | sing | 1.09Å | 1.10Å | |
| C34 | H29 | sing | 1.09Å | 1.10Å | |
| C34 | H30 | sing | 1.09Å | 1.10Å | |
| C35 | H31 | sing | 1.09Å | 1.10Å | |
| C35 | H32 | sing | 1.09Å | 1.10Å | |
| C36 | H33 | sing | 1.09Å | 1.10Å | |
| C36 | H34 | sing | 1.09Å | 1.10Å | |
| C37 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | H36 | sing | 1.09Å | 1.10Å | |
| C38 | H37 | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C310 | H40 | sing | 1.08Å | 1.08Å | |
| C311 | H41 | sing | 1.09Å | 1.10Å | |
| C311 | H42 | sing | 1.09Å | 1.10Å | |
| C312 | H43 | sing | 1.09Å | 1.10Å | |
| C312 | H44 | sing | 1.09Å | 1.10Å | |
| C313 | H45 | sing | 1.09Å | 1.10Å | |
| C313 | H46 | sing | 1.09Å | 1.10Å | |
| C314 | H47 | sing | 1.09Å | 1.10Å | |
| C314 | H48 | sing | 1.09Å | 1.10Å | |
| C315 | H49 | sing | 1.09Å | 1.10Å | |
| C315 | H50 | sing | 1.09Å | 1.10Å | |
| C316 | H51 | sing | 1.09Å | 1.10Å | |
| C316 | H52 | sing | 1.09Å | 1.10Å | |
| C317 | H53 | sing | 1.09Å | 1.10Å | |
| C317 | H54 | sing | 1.09Å | 1.10Å | |
| C318 | H55 | sing | 1.09Å | 1.10Å | |
| C318 | H56 | sing | 1.09Å | 1.10Å | |
| C318 | H57 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C311 | C312 | C313 | 111.1° | 109.4° |
| C312 | C311 | C310 | 111.2° | 109.4° |
| C312 | C311 | H41 | 109.1° | 109.4° |
| C312 | C311 | H42 | 109.0° | 109.5° |
| C311 | C312 | H43 | 109.1° | 109.5° |
| C311 | C312 | H44 | 109.1° | 109.5° |
| C312 | C313 | C314 | 110.9° | 109.4° |
| C313 | C312 | H43 | 109.1° | 109.5° |
| C313 | C312 | H44 | 109.1° | 109.5° |
| C312 | C313 | H45 | 109.1° | 109.5° |
| C312 | C313 | H46 | 109.1° | 109.5° |
| C313 | C314 | C315 | 111.2° | 109.4° |
| C314 | C313 | H45 | 109.1° | 109.5° |
| C314 | C313 | H46 | 109.1° | 109.5° |
| C313 | C314 | H47 | 109.0° | 109.5° |
| C313 | C314 | H48 | 109.0° | 109.5° |
| C314 | C315 | C316 | 110.9° | 109.4° |
| C315 | C314 | H47 | 109.0° | 109.4° |
| C315 | C314 | H48 | 109.0° | 109.5° |
| C314 | C315 | H49 | 109.1° | 109.4° |
| C314 | C315 | H50 | 109.1° | 109.5° |
| C39 | C38 | C37 | 111.5° | 109.5° |
| C38 | C39 | C310 | 120.1° | 119.9° |
| C39 | C38 | H37 | 108.9° | 109.5° |
| C39 | C38 | H38 | 108.9° | 109.4° |
| C38 | C39 | H39 | 120.0° | 120.0° |
| C38 | C37 | C36 | 111.2° | 109.4° |
| C38 | C37 | H35 | 109.1° | 109.5° |
| C38 | C37 | H36 | 109.0° | 109.4° |
| C37 | C38 | H37 | 109.0° | 109.5° |
| C37 | C38 | H38 | 109.0° | 109.5° |
| C39 | C310 | C311 | 119.9° | 120.0° |
| C310 | C39 | H39 | 120.0° | 120.0° |
| C39 | C310 | H40 | 120.0° | 119.9° |
| C311 | C310 | H40 | 120.0° | 120.1° |
| C310 | C311 | H41 | 109.0° | 109.4° |
| C310 | C311 | H42 | 109.1° | 109.5° |
| C315 | C316 | C317 | 111.1° | 109.4° |
| C316 | C315 | H49 | 109.1° | 109.5° |
| C316 | C315 | H50 | 109.1° | 109.5° |
| C315 | C316 | H51 | 109.1° | 109.5° |
| C315 | C316 | H52 | 109.1° | 109.5° |
| C37 | C36 | C35 | 111.0° | 109.5° |
| C37 | C36 | H33 | 109.1° | 109.5° |
| C37 | C36 | H34 | 109.1° | 109.5° |
| C36 | C37 | H35 | 109.0° | 109.4° |
| C36 | C37 | H36 | 109.0° | 109.5° |
| C36 | C35 | C34 | 111.0° | 109.5° |
| C36 | C35 | H31 | 109.1° | 109.4° |
| C36 | C35 | H32 | 109.1° | 109.5° |
| C35 | C36 | H33 | 109.1° | 109.4° |
| C35 | C36 | H34 | 109.1° | 109.5° |
| C35 | C34 | C33 | 111.1° | 109.5° |
| C35 | C34 | H29 | 109.1° | 109.5° |
| C35 | C34 | H30 | 109.1° | 109.5° |
| C34 | C35 | H31 | 109.1° | 109.5° |
| C34 | C35 | H32 | 109.1° | 109.5° |
| C34 | C33 | C32 | 110.9° | 109.5° |
| C34 | C33 | H27 | 109.1° | 109.5° |
| C34 | C33 | H28 | 109.1° | 109.4° |
| C33 | C34 | H29 | 109.1° | 109.4° |
| C33 | C34 | H30 | 109.1° | 109.4° |
| C316 | C317 | C318 | 110.9° | 109.4° |
| C317 | C316 | H51 | 109.1° | 109.5° |
| C317 | C316 | H52 | 109.1° | 109.5° |
| C316 | C317 | H53 | 109.1° | 109.5° |
| C316 | C317 | H54 | 109.1° | 109.5° |
| C33 | C32 | C31 | 111.6° | 109.5° |
| C33 | C32 | H25 | 108.9° | 109.4° |
| C33 | C32 | H26 | 108.9° | 109.4° |
| C32 | C33 | H27 | 109.1° | 109.5° |
| C32 | C33 | H28 | 109.1° | 109.5° |
| C318 | C317 | H53 | 109.1° | 109.5° |
| C318 | C317 | H54 | 109.1° | 109.5° |
| C317 | C318 | H55 | 109.5° | 109.4° |
| C317 | C318 | H56 | 109.5° | 109.4° |
| C317 | C318 | H57 | 109.5° | 109.5° |
| C13 | N | C15 | 109.3° | 109.5° |
| C13 | N | C12 | 109.9° | 109.5° |
| C13 | N | C14 | 109.7° | 109.4° |
| N | C13 | H10 | 109.5° | 109.4° |
| N | C13 | H11 | 109.5° | 109.5° |
| N | C13 | H12 | 109.4° | 109.4° |
| C32 | C31 | O32 | 120.7° | 120.0° |
| C32 | C31 | O31 | 119.3° | 120.0° |
| C31 | C32 | H25 | 108.9° | 109.5° |
| C31 | C32 | H26 | 108.9° | 109.5° |
| C15 | N | C12 | 109.0° | 109.5° |
| C15 | N | C14 | 109.3° | 109.5° |
| N | C15 | H17 | 109.5° | 109.4° |
| N | C15 | H18 | 109.5° | 109.5° |
| N | C15 | H19 | 109.5° | 109.5° |
| C12 | N | C14 | 109.7° | 109.5° |
| N | C12 | C11 | 110.6° | 109.5° |
| N | C12 | H8 | 109.2° | 109.5° |
| N | C12 | H9 | 109.2° | 109.4° |
| N | C14 | H13 | 109.5° | 109.5° |
| N | C14 | H14 | 109.5° | 109.5° |
| N | C14 | H15 | 109.4° | 109.5° |
| O32 | C31 | O31 | 120.0° | 120.0° |
| C12 | C11 | O12 | 110.8° | 109.5° |
| C12 | C11 | H6 | 109.1° | 109.5° |
| C12 | C11 | H7 | 109.1° | 109.5° |
| C11 | C12 | H8 | 109.2° | 109.5° |
| C11 | C12 | H9 | 109.2° | 109.5° |
| C31 | O31 | C3 | 111.2° | 117.0° |
| C11 | O12 | P | 121.0° | 123.1° |
| O12 | C11 | H6 | 109.1° | 109.4° |
| O12 | C11 | H7 | 109.1° | 109.4° |
| O31 | C3 | C2 | 109.2° | 109.5° |
| O31 | C3 | H4 | 109.5° | 109.5° |
| O31 | C3 | H5 | 109.6° | 109.5° |
| O12 | P | O13 | 109.5° | 109.5° |
| O12 | P | O11 | 103.5° | 109.5° |
| O12 | P | O14 | 108.9° | 109.5° |
| C3 | C2 | O21 | 109.6° | 109.5° |
| C3 | C2 | C1 | 108.9° | 109.5° |
| C3 | C2 | H3 | 109.5° | 109.4° |
| C2 | C3 | H4 | 109.5° | 109.5° |
| C2 | C3 | H5 | 109.5° | 109.4° |
| C2 | O21 | C21 | 109.3° | 117.0° |
| O21 | C2 | C1 | 108.7° | 109.5° |
| O21 | C2 | H3 | 110.7° | 109.5° |
| O21 | C21 | C22 | 119.9° | 120.0° |
| O21 | C21 | O22 | 119.6° | 120.0° |
| C23 | C22 | C21 | 110.7° | 109.5° |
| C23 | C22 | H20 | 109.2° | 109.5° |
| C23 | C22 | H21 | 109.2° | 109.4° |
| C22 | C23 | H22 | 109.5° | 109.5° |
| C22 | C23 | H23 | 109.4° | 109.5° |
| C22 | C23 | H24 | 109.5° | 109.5° |
| C22 | C21 | O22 | 120.5° | 120.0° |
| C21 | C22 | H20 | 109.2° | 109.5° |
| C21 | C22 | H21 | 109.2° | 109.4° |
| O13 | P | O11 | 107.4° | 109.5° |
| O13 | P | O14 | 118.0° | 109.5° |
| O11 | P | O14 | 108.6° | 109.4° |
| P | O11 | C1 | 120.0° | 123.0° |
| P | O14 | H16 | 109.5° | 114.1° |
| C2 | C1 | O11 | 111.7° | 109.4° |
| C2 | C1 | H1 | 108.9° | 109.5° |
| C2 | C1 | H2 | 108.9° | 109.5° |
| C1 | C2 | H3 | 109.4° | 109.5° |
| O11 | C1 | H1 | 108.9° | 109.5° |
| O11 | C1 | H2 | 108.9° | 109.4° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.4° |
| H6 | C11 | H7 | 109.5° | 109.4° |
| H8 | C12 | H9 | 109.5° | 109.5° |
| H10 | C13 | H11 | 109.5° | 109.5° |
| H10 | C13 | H12 | 109.5° | 109.5° |
| H11 | C13 | H12 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.4° |
| H13 | C14 | H15 | 109.5° | 109.4° |
| H14 | C14 | H15 | 109.5° | 109.5° |
| H17 | C15 | H18 | 109.5° | 109.5° |
| H17 | C15 | H19 | 109.5° | 109.4° |
| H18 | C15 | H19 | 109.5° | 109.5° |
| H20 | C22 | H21 | 109.5° | 109.5° |
| H22 | C23 | H23 | 109.5° | 109.4° |
| H22 | C23 | H24 | 109.5° | 109.5° |
| H23 | C23 | H24 | 109.5° | 109.5° |
| H25 | C32 | H26 | 109.5° | 109.5° |
| H27 | C33 | H28 | 109.5° | 109.4° |
| H29 | C34 | H30 | 109.5° | 109.5° |
| H31 | C35 | H32 | 109.5° | 109.5° |
| H33 | C36 | H34 | 109.5° | 109.5° |
| H35 | C37 | H36 | 109.5° | 109.6° |
| H37 | C38 | H38 | 109.5° | 109.4° |
| H41 | C311 | H42 | 109.4° | 109.5° |
| H43 | C312 | H44 | 109.4° | 109.5° |
| H45 | C313 | H46 | 109.5° | 109.5° |
| H47 | C314 | H48 | 109.5° | 109.5° |
| H49 | C315 | H50 | 109.5° | 109.5° |
| H51 | C316 | H52 | 109.5° | 109.5° |
| H53 | C317 | H54 | 109.5° | 109.4° |
| H55 | C318 | H56 | 109.4° | 109.4° |
| H55 | C318 | H57 | 109.5° | 109.5° |
| H56 | C318 | H57 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C311 | C312 | C313 | H43 | 120.3° | 120.0° |
| C311 | C312 | C313 | H44 | 120.3° | 120.0° |
| C311 | C312 | C313 | C314 | 179.4° | NaN° |
| C312 | C311 | C310 | C39 | 133.7° | 126.2° |
| C312 | C311 | C310 | H41 | 120.3° | 119.9° |
| C312 | C311 | C310 | H42 | 120.3° | 120.0° |
| C312 | C311 | C310 | H40 | 46.3° | 53.8° |
| C312 | C311 | H41 | H42 | 119.2° | 120.0° |
| C311 | C312 | H43 | H44 | 119.2° | 120.0° |
| C311 | C312 | C313 | H45 | 59.2° | 60.0° |
| C311 | C312 | C313 | H46 | 60.4° | 60.0° |
| C312 | C313 | C314 | H45 | 120.2° | 120.0° |
| C312 | C313 | C314 | H46 | 120.2° | 120.0° |
| C312 | C313 | C314 | C315 | 179.2° | 180.0° |
| C313 | C312 | C311 | C310 | 60.3° | 180.0° |
| C313 | C312 | C311 | H41 | 60.0° | 60.1° |
| C313 | C312 | C311 | H42 | 179.4° | 60.0° |
| C313 | C312 | H43 | H44 | 119.3° | 120.0° |
| C312 | C313 | H45 | H46 | 119.4° | 120.0° |
| C312 | C313 | C314 | H47 | 60.5° | 60.0° |
| C312 | C313 | C314 | H48 | 58.9° | 60.0° |
| C313 | C314 | C315 | H47 | 120.3° | 120.0° |
| C313 | C314 | C315 | H48 | 120.3° | 120.0° |
| C313 | C314 | C315 | C316 | 60.8° | 180.0° |
| C314 | C313 | C312 | H43 | 60.4° | 60.0° |
| C314 | C313 | C312 | H44 | 59.1° | 60.0° |
| C314 | C313 | H45 | H46 | 119.3° | 120.0° |
| C313 | C314 | H47 | H48 | 119.2° | 120.1° |
| C313 | C314 | C315 | H49 | 59.5° | 60.0° |
| C313 | C314 | C315 | H50 | 179.0° | 60.0° |
| C314 | C315 | C316 | H49 | 120.2° | 119.9° |
| C314 | C315 | C316 | H50 | 120.2° | 120.0° |
| C314 | C315 | C316 | C317 | 179.3° | 180.0° |
| C315 | C314 | C313 | H45 | 59.0° | 60.1° |
| C315 | C314 | C313 | H46 | 60.6° | 60.0° |
| C315 | C314 | H47 | H48 | 119.2° | 120.0° |
| C314 | C315 | H49 | H50 | 119.3° | 120.0° |
| C314 | C315 | C316 | H51 | 59.1° | 60.1° |
| C314 | C315 | C316 | H52 | 60.5° | 60.0° |
| C39 | C38 | C37 | H37 | 120.3° | 120.1° |
| C39 | C38 | C37 | H38 | 120.3° | 119.9° |
| C38 | C39 | C310 | H39 | 180.0° | 179.9° |
| C38 | C39 | C310 | C311 | 0.0° | 7.7° |
| C39 | C38 | C37 | C36 | 62.5° | 179.9° |
| C39 | C38 | C37 | H35 | 57.7° | 60.0° |
| C39 | C38 | C37 | H36 | 177.2° | 60.1° |
| C39 | C38 | H37 | H38 | 119.0° | 119.9° |
| C38 | C39 | C310 | H40 | 180.0° | 172.3° |
| C37 | C38 | C39 | C310 | 124.0° | 127.4° |
| C38 | C37 | C36 | H35 | 120.3° | 120.0° |
| C38 | C37 | C36 | H36 | 120.3° | 119.9° |
| C38 | C37 | C36 | C35 | 179.2° | 180.0° |
| C38 | C37 | C36 | H33 | 59.0° | 60.0° |
| C38 | C37 | C36 | H34 | 60.6° | 60.0° |
| C38 | C37 | H35 | H36 | 119.2° | 120.0° |
| C37 | C38 | H37 | H38 | 119.1° | 120.1° |
| C37 | C38 | C39 | H39 | 56.0° | 52.6° |
| C39 | C310 | C311 | H40 | 180.0° | 180.0° |
| C310 | C39 | C38 | H37 | 3.7° | 7.3° |
| C310 | C39 | C38 | H38 | 115.7° | 112.6° |
| C39 | C310 | C311 | H41 | 106.0° | 113.9° |
| C39 | C310 | C311 | H42 | 13.5° | 6.2° |
| C311 | C310 | C39 | H39 | 180.0° | 172.4° |
| C310 | C311 | H41 | H42 | 119.2° | 120.1° |
| C310 | C311 | C312 | H43 | 60.0° | 60.1° |
| C310 | C311 | C312 | H44 | 179.4° | 60.0° |
| C315 | C316 | C317 | H51 | 120.3° | 120.0° |
| C315 | C316 | C317 | H52 | 120.2° | 120.0° |
| C315 | C316 | C317 | C318 | 179.6° | NaN° |
| C316 | C315 | C314 | H47 | 179.0° | 60.0° |
| C316 | C315 | C314 | H48 | 59.5° | 60.0° |
| C316 | C315 | H49 | H50 | 119.4° | 120.0° |
| C315 | C316 | H51 | H52 | 119.3° | 120.1° |
| C315 | C316 | C317 | H53 | 59.4° | 60.0° |
| C315 | C316 | C317 | H54 | 60.2° | 60.0° |
| C37 | C36 | C35 | H33 | 120.2° | 120.0° |
| C37 | C36 | C35 | H34 | 120.2° | 120.0° |
| C37 | C36 | C35 | C34 | 179.3° | 180.0° |
| C37 | C36 | C35 | H31 | 59.1° | 60.0° |
| C37 | C36 | C35 | H32 | 60.5° | 60.0° |
| C37 | C36 | H33 | H34 | 119.3° | 120.1° |
| C36 | C37 | H35 | H36 | 119.2° | 120.0° |
| C36 | C37 | C38 | H37 | 177.2° | 60.0° |
| C36 | C37 | C38 | H38 | 57.8° | 60.0° |
| C36 | C35 | C34 | H31 | 120.2° | 119.9° |
| C36 | C35 | C34 | H32 | 120.2° | 120.0° |
| C36 | C35 | C34 | C33 | 179.3° | 180.0° |
| C36 | C35 | C34 | H29 | 59.1° | 60.1° |
| C36 | C35 | C34 | H30 | 60.4° | 60.0° |
| C36 | C35 | H31 | H32 | 119.3° | 120.0° |
| C35 | C36 | H33 | H34 | 119.3° | 120.0° |
| C35 | C36 | C37 | H35 | 60.5° | 60.1° |
| C35 | C36 | C37 | H36 | 59.0° | 60.0° |
| C35 | C34 | C33 | H29 | 120.2° | 120.0° |
| C35 | C34 | C33 | H30 | 120.2° | 120.0° |
| C35 | C34 | C33 | C32 | 59.7° | 180.0° |
| C35 | C34 | C33 | H27 | 60.5° | 60.0° |
| C35 | C34 | C33 | H28 | 179.9° | 60.0° |
| C35 | C34 | H29 | H30 | 119.3° | 120.1° |
| C34 | C35 | H31 | H32 | 119.3° | 120.1° |
| C34 | C35 | C36 | H33 | 60.5° | 60.0° |
| C34 | C35 | C36 | H34 | 59.1° | 60.0° |
| C34 | C33 | C32 | H27 | 120.2° | 120.0° |
| C34 | C33 | C32 | H28 | 120.2° | 120.0° |
| C34 | C33 | C32 | C31 | 179.6° | 180.0° |
| C34 | C33 | C32 | H25 | 60.1° | 60.0° |
| C34 | C33 | C32 | H26 | 59.3° | 60.0° |
| C34 | C33 | H27 | H28 | 119.4° | 119.9° |
| C33 | C34 | H29 | H30 | 119.3° | 120.0° |
| C33 | C34 | C35 | H31 | 60.5° | 60.0° |
| C33 | C34 | C35 | H32 | 59.1° | 60.0° |
| C316 | C317 | C318 | H53 | 120.2° | 120.0° |
| C316 | C317 | C318 | H54 | 120.2° | 120.0° |
| C317 | C316 | C315 | H49 | 60.5° | 60.0° |
| C317 | C316 | C315 | H50 | 59.1° | 60.0° |
| C317 | C316 | H51 | H52 | 119.3° | 120.0° |
| C316 | C317 | H53 | H54 | 119.3° | 120.0° |
| C316 | C317 | C318 | H55 | 180.0° | 180.0° |
| C316 | C317 | C318 | H56 | 60.0° | 60.1° |
| C316 | C317 | C318 | H57 | 60.0° | 60.0° |
| C33 | C32 | C31 | H25 | 120.3° | 120.0° |
| C33 | C32 | C31 | H26 | 120.3° | 120.0° |
| C33 | C32 | C31 | O32 | 67.4° | 0.1° |
| C33 | C32 | C31 | O31 | 111.0° | 180.0° |
| C33 | C32 | H25 | H26 | 119.0° | 119.9° |
| C32 | C33 | H27 | H28 | 119.3° | 120.0° |
| C32 | C33 | C34 | H29 | 179.9° | 60.0° |
| C32 | C33 | C34 | H30 | 60.6° | 60.0° |
| C318 | C317 | C316 | H51 | 60.1° | 60.0° |
| C318 | C317 | C316 | H52 | 59.4° | 60.0° |
| C318 | C317 | H53 | H54 | 119.3° | 120.0° |
| C317 | C318 | H55 | H56 | 120.0° | 119.9° |
| C317 | C318 | H55 | H57 | 120.0° | 120.0° |
| C317 | C318 | H56 | H57 | 120.0° | 120.1° |
| C13 | N | C15 | C12 | 120.1° | 120.0° |
| C13 | N | C15 | C14 | 120.0° | 120.0° |
| C13 | N | C12 | C14 | 120.6° | 120.0° |
| C13 | N | C12 | C11 | 54.2° | 65.8° |
| C13 | N | C12 | H8 | 174.4° | 54.2° |
| C13 | N | C12 | H9 | 66.0° | 174.2° |
| N | C13 | H10 | H11 | 120.0° | 120.0° |
| N | C13 | H10 | H12 | 120.0° | 120.0° |
| N | C13 | H11 | H12 | 120.0° | 120.0° |
| C13 | N | C14 | H13 | 180.0° | 180.0° |
| C13 | N | C14 | H14 | 60.0° | 60.0° |
| C13 | N | C14 | H15 | 60.0° | 60.1° |
| C13 | N | C15 | H17 | 180.0° | 60.1° |
| C13 | N | C15 | H18 | 60.0° | 59.9° |
| C13 | N | C15 | H19 | 60.0° | 180.0° |
| C32 | C31 | O32 | O31 | 178.3° | 179.9° |
| C32 | C31 | O31 | C3 | 177.7° | 180.0° |
| C31 | C32 | H25 | H26 | 119.0° | 120.1° |
| C31 | C32 | C33 | H27 | 59.4° | 60.0° |
| C31 | C32 | C33 | H28 | 60.2° | 60.0° |
| C15 | N | C12 | C14 | 119.7° | 120.0° |
| C15 | N | C12 | C11 | 173.9° | 174.2° |
| C15 | N | C12 | H8 | 65.9° | 65.8° |
| C15 | N | C12 | H9 | 53.8° | 54.2° |
| C15 | N | C13 | H10 | 180.0° | 169.3° |
| C15 | N | C13 | H11 | 60.0° | 49.3° |
| C15 | N | C13 | H12 | 60.0° | 70.7° |
| C15 | N | C14 | H13 | 60.3° | 60.0° |
| C15 | N | C14 | H14 | 179.7° | 60.0° |
| C15 | N | C14 | H15 | 59.8° | 180.0° |
| N | C15 | H17 | H18 | 120.0° | 120.0° |
| N | C15 | H17 | H19 | 120.0° | 120.0° |
| N | C15 | H18 | H19 | 120.0° | 120.0° |
| N | C12 | C11 | H8 | 120.2° | 120.0° |
| N | C12 | C11 | H9 | 120.2° | 120.0° |
| N | C12 | C11 | O12 | 62.0° | 67.1° |
| N | C12 | C11 | H6 | 177.8° | 172.9° |
| N | C12 | C11 | H7 | 58.1° | 52.9° |
| N | C12 | H8 | H9 | 119.5° | 120.0° |
| C12 | N | C13 | H10 | 60.4° | 70.6° |
| C12 | N | C13 | H11 | 59.6° | 169.3° |
| C12 | N | C13 | H12 | 179.6° | 49.3° |
| C12 | N | C14 | H13 | 59.3° | 60.0° |
| C12 | N | C14 | H14 | 60.8° | 180.0° |
| C12 | N | C14 | H15 | 179.3° | 59.9° |
| C12 | N | C15 | H17 | 59.9° | 60.0° |
| C12 | N | C15 | H18 | 179.9° | 180.0° |
| C12 | N | C15 | H19 | 60.1° | 60.0° |
| C14 | N | C12 | C11 | 66.4° | 54.2° |
| C14 | N | C12 | H8 | 53.7° | 174.2° |
| C14 | N | C12 | H9 | 173.4° | 65.8° |
| C14 | N | C13 | H10 | 60.2° | 49.4° |
| C14 | N | C13 | H11 | 179.7° | 70.7° |
| C14 | N | C13 | H12 | 59.8° | 169.3° |
| N | C14 | H13 | H14 | 120.0° | 120.1° |
| N | C14 | H13 | H15 | 120.0° | 120.0° |
| N | C14 | H14 | H15 | 120.0° | 120.1° |
| C14 | N | C15 | H17 | 60.0° | 180.0° |
| C14 | N | C15 | H18 | 60.0° | 60.0° |
| C14 | N | C15 | H19 | 180.0° | 60.1° |
| O32 | C31 | O31 | C3 | 4.0° | 0.1° |
| O32 | C31 | C32 | H25 | 172.3° | 119.9° |
| O32 | C31 | C32 | H26 | 52.9° | 120.0° |
| C12 | C11 | O12 | H6 | 120.2° | 120.0° |
| C12 | C11 | O12 | H7 | 120.2° | 120.1° |
| C12 | C11 | O12 | P | 60.2° | 180.0° |
| C12 | C11 | H6 | H7 | 119.4° | 120.0° |
| C11 | C12 | H8 | H9 | 119.5° | 120.0° |
| C31 | O31 | C3 | C2 | 75.2° | 180.0° |
| C31 | O31 | C3 | H4 | 44.7° | 59.9° |
| C31 | O31 | C3 | H5 | 164.8° | 60.0° |
| O31 | C31 | C32 | H25 | 9.4° | 60.0° |
| O31 | C31 | C32 | H26 | 128.7° | 60.1° |
| C11 | O12 | P | O13 | 40.4° | 55.0° |
| C11 | O12 | P | O11 | 73.9° | 175.0° |
| C11 | O12 | P | O14 | 170.8° | 65.0° |
| O12 | C11 | H6 | H7 | 119.4° | 119.9° |
| O12 | C11 | C12 | H8 | 58.1° | 52.9° |
| O12 | C11 | C12 | H9 | 177.8° | 172.9° |
| O31 | C3 | C2 | H4 | 119.9° | 120.1° |
| O31 | C3 | C2 | H5 | 120.0° | 120.0° |
| O31 | C3 | C2 | O21 | 74.0° | 64.9° |
| O31 | C3 | C2 | C1 | 167.2° | 175.0° |
| O31 | C3 | C2 | H3 | 47.6° | 55.0° |
| O31 | C3 | H4 | H5 | 120.1° | 120.0° |
| O12 | P | O13 | O11 | 111.7° | 120.0° |
| O12 | P | O13 | O14 | 125.2° | 120.0° |
| O12 | P | O11 | O14 | 115.6° | 120.0° |
| O12 | P | O11 | C1 | 94.7° | 175.0° |
| P | O12 | C11 | H6 | 60.0° | 60.0° |
| P | O12 | C11 | H7 | 179.6° | 59.9° |
| O12 | P | O14 | H16 | 125.5° | 60.0° |
| C3 | C2 | O21 | C1 | 119.0° | 120.0° |
| C3 | C2 | O21 | H3 | 120.9° | 119.9° |
| C3 | C2 | O21 | C21 | 163.5° | 89.9° |
| C3 | C2 | C1 | H3 | 119.6° | 119.9° |
| C3 | C2 | C1 | O11 | 64.9° | 175.0° |
| C3 | C2 | C1 | H1 | 55.4° | 65.0° |
| C3 | C2 | C1 | H2 | 174.7° | 55.0° |
| C2 | C3 | H4 | H5 | 120.1° | 119.9° |
| C2 | O21 | C21 | C22 | 179.5° | 180.0° |
| O21 | C2 | C1 | H3 | 121.0° | 120.0° |
| C2 | O21 | C21 | O22 | 2.1° | 0.0° |
| O21 | C2 | C1 | O11 | 54.5° | 65.0° |
| O21 | C2 | C1 | H1 | 174.8° | 55.0° |
| O21 | C2 | C1 | H2 | 65.8° | 175.0° |
| O21 | C2 | C3 | H4 | 45.9° | 175.0° |
| O21 | C2 | C3 | H5 | 166.0° | 55.1° |
| O21 | C21 | C22 | C23 | 131.3° | 180.0° |
| O21 | C21 | C22 | O22 | 178.4° | 180.0° |
| C21 | O21 | C2 | C1 | 77.6° | 150.0° |
| C21 | O21 | C2 | H3 | 42.6° | 30.0° |
| O21 | C21 | C22 | H20 | 108.5° | 60.0° |
| O21 | C21 | C22 | H21 | 11.1° | 60.0° |
| C23 | C22 | C21 | H20 | 120.2° | 120.0° |
| C23 | C22 | C21 | H21 | 120.2° | 120.0° |
| C23 | C22 | C21 | O22 | 47.1° | 0.1° |
| C23 | C22 | H20 | H21 | 119.4° | 120.0° |
| C22 | C23 | H22 | H23 | 120.0° | 120.0° |
| C22 | C23 | H22 | H24 | 120.0° | 120.1° |
| C22 | C23 | H23 | H24 | 120.0° | 120.0° |
| C21 | C22 | H20 | H21 | 119.4° | 120.0° |
| C21 | C22 | C23 | H22 | 180.0° | 59.9° |
| C21 | C22 | C23 | H23 | 60.0° | 60.0° |
| C21 | C22 | C23 | H24 | 60.0° | 180.0° |
| O13 | P | O11 | O14 | 128.7° | 120.0° |
| O13 | P | O11 | C1 | 149.5° | 55.0° |
| O13 | P | O14 | H16 | 0.0° | 180.0° |
| P | O11 | C1 | C2 | 83.6° | 180.0° |
| P | O11 | C1 | H1 | 156.1° | 60.0° |
| P | O11 | C1 | H2 | 36.8° | 60.0° |
| O11 | P | O14 | H16 | 122.5° | 60.0° |
| O14 | P | O11 | C1 | 20.8° | 65.0° |
| C2 | C1 | O11 | H1 | 120.3° | 120.0° |
| C2 | C1 | O11 | H2 | 120.3° | 120.0° |
| C2 | C1 | H1 | H2 | 119.0° | 120.0° |
| C1 | C2 | C3 | H4 | 72.9° | 54.9° |
| C1 | C2 | C3 | H5 | 47.2° | 65.0° |
| O22 | C21 | C22 | H20 | 73.1° | 120.0° |
| O22 | C21 | C22 | H21 | 167.3° | 120.0° |
| O11 | C1 | H1 | H2 | 119.0° | 120.0° |
| O11 | C1 | C2 | H3 | 175.5° | 55.0° |
| H1 | C1 | C2 | H3 | 64.2° | 175.0° |
| H2 | C1 | C2 | H3 | 55.1° | 64.9° |
| H3 | C2 | C3 | H4 | 167.5° | 65.1° |
| H3 | C2 | C3 | H5 | 72.4° | 175.0° |
| H6 | C11 | C12 | H8 | 62.1° | 67.1° |
| H6 | C11 | C12 | H9 | 57.6° | 52.9° |
| H7 | C11 | C12 | H8 | 178.3° | 172.9° |
| H7 | C11 | C12 | H9 | 62.0° | 67.1° |
| H10 | C13 | H11 | H12 | 120.0° | 120.0° |
| H13 | C14 | H14 | H15 | 120.0° | 119.9° |
| H17 | C15 | H18 | H19 | 120.0° | 120.0° |
| H20 | C22 | C23 | H22 | 59.8° | 180.0° |
| H20 | C22 | C23 | H23 | 60.2° | 60.1° |
| H20 | C22 | C23 | H24 | 179.8° | 59.9° |
| H21 | C22 | C23 | H22 | 59.8° | 60.0° |
| H21 | C22 | C23 | H23 | 179.8° | 180.0° |
| H21 | C22 | C23 | H24 | 60.2° | 60.0° |
| H22 | C23 | H23 | H24 | 120.0° | 120.0° |
| H25 | C32 | C33 | H27 | 179.7° | 180.0° |
| H25 | C32 | C33 | H28 | 60.2° | 60.0° |
| H26 | C32 | C33 | H27 | 60.9° | 60.0° |
| H26 | C32 | C33 | H28 | 179.5° | 180.0° |
| H27 | C33 | C34 | H29 | 59.7° | 180.0° |
| H27 | C33 | C34 | H30 | 179.2° | 60.1° |
| H28 | C33 | C34 | H29 | 59.9° | 60.0° |
| H28 | C33 | C34 | H30 | 59.6° | 180.0° |
| H29 | C34 | C35 | H31 | 179.3° | 180.0° |
| H29 | C34 | C35 | H32 | 61.1° | 60.0° |
| H30 | C34 | C35 | H31 | 59.8° | 60.0° |
| H30 | C34 | C35 | H32 | 179.3° | NaN° |
| H31 | C35 | C36 | H33 | 179.3° | 180.0° |
| H31 | C35 | C36 | H34 | 61.1° | 60.0° |
| H32 | C35 | C36 | H33 | 59.7° | 60.0° |
| H32 | C35 | C36 | H34 | 179.3° | NaN° |
| H33 | C36 | C37 | H35 | 179.3° | 180.0° |
| H33 | C36 | C37 | H36 | 61.3° | 59.9° |
| H34 | C36 | C37 | H35 | 59.7° | 60.0° |
| H34 | C36 | C37 | H36 | 179.2° | 180.0° |
| H35 | C37 | C38 | H37 | 62.6° | 179.9° |
| H35 | C37 | C38 | H38 | 178.0° | 59.9° |
| H36 | C37 | C38 | H37 | 56.9° | 60.0° |
| H36 | C37 | C38 | H38 | 62.5° | 180.0° |
| H37 | C38 | C39 | H39 | 176.3° | 172.6° |
| H38 | C38 | C39 | H39 | 64.3° | 67.4° |
| H39 | C39 | C310 | H40 | 0.0° | 7.6° |
| H40 | C310 | C311 | H41 | 74.0° | 66.1° |
| H40 | C310 | C311 | H42 | 166.5° | 173.8° |
| H41 | C311 | C312 | H43 | 179.8° | 180.0° |
| H41 | C311 | C312 | H44 | 60.3° | 60.0° |
| H42 | C311 | C312 | H43 | 60.3° | 60.0° |
| H42 | C311 | C312 | H44 | 59.1° | 180.0° |
| H43 | C312 | C313 | H45 | 179.4° | NaN° |
| H43 | C312 | C313 | H46 | 59.8° | 60.0° |
| H44 | C312 | C313 | H45 | 61.1° | 60.0° |
| H44 | C312 | C313 | H46 | 179.3° | 180.0° |
| H45 | C313 | C314 | H47 | 179.3° | 180.0° |
| H45 | C313 | C314 | H48 | 61.3° | 59.9° |
| H46 | C313 | C314 | H47 | 59.7° | 60.0° |
| H46 | C313 | C314 | H48 | 179.2° | 180.0° |
| H47 | C314 | C315 | H49 | 60.8° | 180.0° |
| H47 | C314 | C315 | H50 | 58.8° | 60.0° |
| H48 | C314 | C315 | H49 | 179.7° | 60.0° |
| H48 | C314 | C315 | H50 | 60.7° | 180.0° |
| H49 | C315 | C316 | H51 | 179.3° | 180.0° |
| H49 | C315 | C316 | H52 | 59.7° | 59.9° |
| H50 | C315 | C316 | H51 | 61.1° | 60.0° |
| H50 | C315 | C316 | H52 | 179.3° | 180.0° |
| H51 | C316 | C317 | H53 | 179.7° | 180.0° |
| H51 | C316 | C317 | H54 | 60.1° | 60.0° |
| H52 | C316 | C317 | H53 | 60.8° | 60.0° |
| H52 | C316 | C317 | H54 | 179.6° | 180.0° |
| H53 | C317 | C318 | H55 | 59.8° | 60.0° |
| H53 | C317 | C318 | H56 | 179.8° | 179.9° |
| H53 | C317 | C318 | H57 | 60.2° | 60.0° |
| H54 | C317 | C318 | H55 | 59.8° | 60.0° |
| H54 | C317 | C318 | H56 | 60.2° | 60.0° |
| H54 | C317 | C318 | H57 | 179.8° | 180.0° |
| H55 | C318 | H56 | H57 | 120.0° | 120.0° |
