WNZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C39 | C38 | sing | 1.53Å | 1.53Å | |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C38 | C37 | sing | 1.53Å | 1.53Å | |
| C06 | C07 | sing | 1.53Å | 1.53Å | |
| C37 | C36 | sing | 1.53Å | 1.53Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C09 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.51Å | 1.52Å | |
| O13 | C12 | doub | 1.21Å | 1.18Å | |
| C12 | O14 | sing | 1.34Å | 1.40Å | |
| C32 | C31 | sing | 1.53Å | 1.53Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| O14 | C15 | sing | 1.45Å | 1.40Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | C27 | sing | 1.51Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | O26 | sing | 1.45Å | 1.41Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C27 | O26 | sing | 1.34Å | 1.40Å | |
| C27 | O28 | doub | 1.21Å | 1.19Å | |
| O18 | C17 | sing | 1.43Å | 1.40Å | |
| O18 | P19 | sing | 1.61Å | 1.65Å | |
| O21 | P19 | doub | 1.48Å | 1.46Å | |
| P19 | O22 | sing | 1.61Å | 1.65Å | |
| P19 | O20 | sing | 1.61Å | 1.46Å | |
| O22 | C23 | sing | 1.43Å | 1.40Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| N25 | C24 | sing | 1.47Å | 1.45Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.09Å | 1.10Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| C08 | H17 | sing | 1.09Å | 1.10Å | |
| C09 | H18 | sing | 1.09Å | 1.10Å | |
| C09 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C31 | H38 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | sing | 1.09Å | 1.10Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| C33 | H41 | sing | 1.09Å | 1.10Å | |
| C33 | H42 | sing | 1.09Å | 1.10Å | |
| C34 | H43 | sing | 1.09Å | 1.10Å | |
| C34 | H44 | sing | 1.09Å | 1.10Å | |
| C35 | H45 | sing | 1.09Å | 1.10Å | |
| C35 | H46 | sing | 1.09Å | 1.10Å | |
| C36 | H47 | sing | 1.09Å | 1.10Å | |
| C36 | H48 | sing | 1.09Å | 1.10Å | |
| C37 | H49 | sing | 1.09Å | 1.10Å | |
| C37 | H50 | sing | 1.09Å | 1.10Å | |
| C38 | H51 | sing | 1.09Å | 1.10Å | |
| C38 | H52 | sing | 1.09Å | 1.10Å | |
| C39 | H53 | sing | 1.09Å | 1.10Å | |
| C39 | H54 | sing | 1.09Å | 1.10Å | |
| C39 | H55 | sing | 1.09Å | 1.10Å | |
| N25 | H56 | sing | 1.01Å | 1.00Å | |
| N25 | H57 | sing | 1.01Å | 1.00Å | |
| O20 | H59 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 109.4° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C01 | C02 | H4 | 109.5° | 109.5° |
| C01 | C02 | H5 | 109.5° | 109.5° |
| C02 | C03 | C04 | 109.5° | 109.5° |
| C03 | C02 | H4 | 109.5° | 109.5° |
| C03 | C02 | H5 | 109.5° | 109.5° |
| C02 | C03 | H6 | 109.4° | 109.4° |
| C02 | C03 | H7 | 109.5° | 109.4° |
| C03 | C04 | C05 | 109.0° | 109.5° |
| C04 | C03 | H6 | 109.5° | 109.5° |
| C04 | C03 | H7 | 109.4° | 109.5° |
| C03 | C04 | H8 | 109.6° | 109.5° |
| C03 | C04 | H9 | 109.6° | 109.5° |
| C04 | C05 | C06 | 109.5° | 109.5° |
| C05 | C04 | H8 | 109.6° | 109.5° |
| C05 | C04 | H9 | 109.6° | 109.4° |
| C04 | C05 | H10 | 109.5° | 109.5° |
| C04 | C05 | H11 | 109.5° | 109.5° |
| C39 | C38 | C37 | 109.9° | 109.5° |
| C39 | C38 | H51 | 109.4° | 109.5° |
| C39 | C38 | H52 | 109.4° | 109.5° |
| C38 | C39 | H53 | 109.5° | 109.5° |
| C38 | C39 | H54 | 109.5° | 109.5° |
| C38 | C39 | H55 | 109.5° | 109.5° |
| C05 | C06 | C07 | 109.2° | 109.5° |
| C06 | C05 | H10 | 109.5° | 109.5° |
| C06 | C05 | H11 | 109.5° | 109.4° |
| C05 | C06 | H12 | 109.5° | 109.5° |
| C05 | C06 | H13 | 109.5° | 109.5° |
| C38 | C37 | C36 | 109.4° | 109.5° |
| C38 | C37 | H49 | 109.5° | 109.5° |
| C38 | C37 | H50 | 109.5° | 109.5° |
| C37 | C38 | H51 | 109.3° | 109.5° |
| C37 | C38 | H52 | 109.4° | 109.5° |
| C06 | C07 | C08 | 109.5° | 109.5° |
| C07 | C06 | H12 | 109.5° | 109.4° |
| C07 | C06 | H13 | 109.5° | 109.4° |
| C06 | C07 | H14 | 109.5° | 109.5° |
| C06 | C07 | H15 | 109.4° | 109.5° |
| C37 | C36 | C35 | 109.9° | 109.5° |
| C37 | C36 | H47 | 109.4° | 109.5° |
| C37 | C36 | H48 | 109.4° | 109.5° |
| C36 | C37 | H49 | 109.5° | 109.5° |
| C36 | C37 | H50 | 109.5° | 109.5° |
| C07 | C08 | C09 | 109.1° | 109.5° |
| C08 | C07 | H14 | 109.5° | 109.5° |
| C08 | C07 | H15 | 109.4° | 109.5° |
| C07 | C08 | H16 | 109.6° | 109.5° |
| C07 | C08 | H17 | 109.6° | 109.5° |
| C36 | C35 | C34 | 109.1° | 109.5° |
| C36 | C35 | H45 | 109.5° | 109.5° |
| C36 | C35 | H46 | 109.6° | 109.5° |
| C35 | C36 | H47 | 109.3° | 109.4° |
| C35 | C36 | H48 | 109.3° | 109.4° |
| C08 | C09 | C10 | 109.5° | 109.5° |
| C09 | C08 | H16 | 109.6° | 109.5° |
| C09 | C08 | H17 | 109.6° | 109.5° |
| C08 | C09 | H18 | 109.4° | 109.4° |
| C08 | C09 | H19 | 109.4° | 109.4° |
| C35 | C34 | C33 | 109.9° | 109.5° |
| C35 | C34 | H43 | 109.3° | 109.5° |
| C35 | C34 | H44 | 109.4° | 109.5° |
| C34 | C35 | H45 | 109.6° | 109.5° |
| C34 | C35 | H46 | 109.6° | 109.5° |
| C09 | C10 | C11 | 109.4° | 109.5° |
| C10 | C09 | H18 | 109.5° | 109.5° |
| C10 | C09 | H19 | 109.5° | 109.5° |
| C09 | C10 | H20 | 109.5° | 109.5° |
| C09 | C10 | H21 | 109.5° | 109.5° |
| C10 | C11 | C12 | 108.9° | 109.5° |
| C11 | C10 | H20 | 109.5° | 109.5° |
| C11 | C10 | H21 | 109.5° | 109.5° |
| C10 | C11 | H22 | 109.6° | 109.5° |
| C10 | C11 | H23 | 109.6° | 109.4° |
| C34 | C33 | C32 | 109.1° | 109.5° |
| C34 | C33 | H41 | 109.6° | 109.5° |
| C34 | C33 | H42 | 109.6° | 109.5° |
| C33 | C34 | H43 | 109.4° | 109.5° |
| C33 | C34 | H44 | 109.4° | 109.5° |
| C33 | C32 | C31 | 110.2° | 109.5° |
| C33 | C32 | H39 | 109.3° | 109.5° |
| C33 | C32 | H40 | 109.3° | 109.5° |
| C32 | C33 | H41 | 109.6° | 109.5° |
| C32 | C33 | H42 | 109.5° | 109.5° |
| C11 | C12 | O13 | 119.8° | 120.0° |
| C11 | C12 | O14 | 120.1° | 120.0° |
| C12 | C11 | H22 | 109.6° | 109.5° |
| C12 | C11 | H23 | 109.6° | 109.5° |
| O13 | C12 | O14 | 120.1° | 120.0° |
| C12 | O14 | C15 | 114.0° | 117.0° |
| C32 | C31 | C30 | 110.5° | 109.5° |
| C32 | C31 | H37 | 109.2° | 109.4° |
| C32 | C31 | H38 | 109.2° | 109.4° |
| C31 | C32 | H39 | 109.3° | 109.5° |
| C31 | C32 | H40 | 109.3° | 109.5° |
| C31 | C30 | C29 | 110.5° | 109.5° |
| C31 | C30 | H35 | 109.2° | 109.5° |
| C31 | C30 | H36 | 109.2° | 109.5° |
| C30 | C31 | H37 | 109.2° | 109.5° |
| C30 | C31 | H38 | 109.2° | 109.5° |
| O14 | C15 | C16 | 109.4° | 109.4° |
| O14 | C15 | H24 | 109.5° | 109.4° |
| O14 | C15 | H25 | 109.5° | 109.5° |
| C30 | C29 | C27 | 110.2° | 109.5° |
| C30 | C29 | H33 | 109.3° | 109.4° |
| C30 | C29 | H34 | 109.3° | 109.5° |
| C29 | C30 | H35 | 109.2° | 109.5° |
| C29 | C30 | H36 | 109.2° | 109.5° |
| C29 | C27 | O26 | 120.0° | 120.0° |
| C29 | C27 | O28 | 119.7° | 120.0° |
| C27 | C29 | H33 | 109.3° | 109.4° |
| C27 | C29 | H34 | 109.3° | 109.5° |
| C15 | C16 | O26 | 112.2° | 109.5° |
| C15 | C16 | C17 | 109.3° | 109.5° |
| C16 | C15 | H24 | 109.5° | 109.4° |
| C16 | C15 | H25 | 109.5° | 109.5° |
| C15 | C16 | H26 | 107.8° | 109.4° |
| O26 | C16 | C17 | 110.0° | 109.5° |
| C16 | O26 | C27 | 117.7° | 117.0° |
| O26 | C16 | H26 | 109.5° | 109.5° |
| C16 | C17 | O18 | 109.4° | 109.5° |
| C17 | C16 | H26 | 107.9° | 109.4° |
| C16 | C17 | H27 | 109.5° | 109.5° |
| C16 | C17 | H28 | 109.5° | 109.5° |
| O26 | C27 | O28 | 120.2° | 120.0° |
| C17 | O18 | P19 | 118.7° | 123.0° |
| O18 | C17 | H27 | 109.5° | 109.4° |
| O18 | C17 | H28 | 109.5° | 109.4° |
| O18 | P19 | O21 | 111.3° | 109.4° |
| O18 | P19 | O22 | 110.4° | 109.4° |
| O18 | P19 | O20 | 111.4° | 109.4° |
| O21 | P19 | O22 | 111.2° | 109.5° |
| O21 | P19 | O20 | 100.7° | 109.5° |
| O22 | P19 | O20 | 111.5° | 109.5° |
| P19 | O22 | C23 | 118.6° | 122.9° |
| P19 | O20 | H59 | 109.5° | 114.0° |
| O22 | C23 | C24 | 109.5° | 109.4° |
| O22 | C23 | H29 | 109.5° | 109.5° |
| O22 | C23 | H30 | 109.5° | 109.5° |
| C23 | C24 | N25 | 109.4° | 109.5° |
| C24 | C23 | H29 | 109.5° | 109.5° |
| C24 | C23 | H30 | 109.5° | 109.5° |
| C23 | C24 | H31 | 109.5° | 109.5° |
| C23 | C24 | H32 | 109.5° | 109.5° |
| N25 | C24 | H31 | 109.5° | 109.5° |
| N25 | C24 | H32 | 109.5° | 109.5° |
| C24 | N25 | H56 | 109.5° | 111.0° |
| C24 | N25 | H57 | 109.5° | 111.0° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.4° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C02 | H5 | 109.5° | 109.4° |
| H6 | C03 | H7 | 109.5° | 109.5° |
| H8 | C04 | H9 | 109.5° | 109.5° |
| H10 | C05 | H11 | 109.5° | 109.5° |
| H12 | C06 | H13 | 109.5° | 109.5° |
| H14 | C07 | H15 | 109.5° | 109.4° |
| H16 | C08 | H17 | 109.5° | 109.4° |
| H18 | C09 | H19 | 109.5° | 109.5° |
| H20 | C10 | H21 | 109.5° | 109.4° |
| H22 | C11 | H23 | 109.4° | 109.5° |
| H24 | C15 | H25 | 109.5° | 109.5° |
| H27 | C17 | H28 | 109.5° | 109.5° |
| H29 | C23 | H30 | 109.5° | 109.5° |
| H31 | C24 | H32 | 109.5° | 109.5° |
| H33 | C29 | H34 | 109.5° | 109.5° |
| H35 | C30 | H36 | 109.5° | 109.4° |
| H37 | C31 | H38 | 109.4° | 109.5° |
| H39 | C32 | H40 | 109.4° | 109.5° |
| H41 | C33 | H42 | 109.4° | 109.5° |
| H43 | C34 | H44 | 109.5° | 109.5° |
| H45 | C35 | H46 | 109.5° | 109.4° |
| H47 | C36 | H48 | 109.5° | 109.5° |
| H49 | C37 | H50 | 109.5° | 109.4° |
| H51 | C38 | H52 | 109.5° | 109.5° |
| H53 | C39 | H54 | 109.4° | 109.5° |
| H53 | C39 | H55 | 109.5° | 109.5° |
| H54 | C39 | H55 | 109.5° | 109.4° |
| H56 | N25 | H57 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H4 | 120.0° | 120.0° |
| C01 | C02 | C03 | H5 | 120.0° | 120.0° |
| C01 | C02 | C03 | C04 | 145.7° | 180.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 120.0° | 120.0° |
| C01 | C02 | C03 | H6 | 25.7° | 60.0° |
| C01 | C02 | C03 | H7 | 94.3° | 60.0° |
| C02 | C03 | C04 | H6 | 120.0° | 120.0° |
| C02 | C03 | C04 | H7 | 120.0° | 120.0° |
| C02 | C03 | C04 | C05 | 111.2° | 180.0° |
| C03 | C02 | C01 | H1 | 180.0° | 60.0° |
| C03 | C02 | C01 | H2 | 60.0° | 60.0° |
| C03 | C02 | C01 | H3 | 60.0° | 180.0° |
| C03 | C02 | H4 | H5 | 120.0° | 120.0° |
| C02 | C03 | H6 | H7 | 120.0° | 119.9° |
| C02 | C03 | C04 | H8 | 8.7° | 60.0° |
| C02 | C03 | C04 | H9 | 128.9° | 60.0° |
| C03 | C04 | C05 | H8 | 119.9° | 120.0° |
| C03 | C04 | C05 | H9 | 119.9° | 120.0° |
| C03 | C04 | C05 | C06 | 112.6° | 180.0° |
| C04 | C03 | C02 | H4 | 94.3° | 60.0° |
| C04 | C03 | C02 | H5 | 25.7° | 60.0° |
| C04 | C03 | H6 | H7 | 120.0° | 120.1° |
| C03 | C04 | H8 | H9 | 120.2° | 120.0° |
| C03 | C04 | C05 | H10 | 7.4° | 60.0° |
| C03 | C04 | C05 | H11 | 127.4° | 60.1° |
| C04 | C05 | C06 | H10 | 120.0° | 120.0° |
| C04 | C05 | C06 | H11 | 120.0° | 120.0° |
| C04 | C05 | C06 | C07 | 131.7° | 180.0° |
| C05 | C04 | C03 | H6 | 128.8° | 60.0° |
| C05 | C04 | C03 | H7 | 8.8° | 60.1° |
| C05 | C04 | H8 | H9 | 120.2° | 120.0° |
| C04 | C05 | H10 | H11 | 120.0° | 120.0° |
| C04 | C05 | C06 | H12 | 11.7° | 60.0° |
| C04 | C05 | C06 | H13 | 108.4° | 60.0° |
| C39 | C38 | C37 | H51 | 120.1° | 120.0° |
| C39 | C38 | C37 | H52 | 120.1° | 120.0° |
| C39 | C38 | C37 | C36 | 157.2° | 180.0° |
| C39 | C38 | C37 | H49 | 37.2° | 60.0° |
| C39 | C38 | C37 | H50 | 82.8° | 60.0° |
| C39 | C38 | H51 | H52 | 119.8° | 120.0° |
| C38 | C39 | H53 | H54 | 120.0° | 120.0° |
| C38 | C39 | H53 | H55 | 120.0° | 120.0° |
| C38 | C39 | H54 | H55 | 120.0° | 120.0° |
| C05 | C06 | C07 | H12 | 120.0° | 120.0° |
| C05 | C06 | C07 | H13 | 119.9° | 120.0° |
| C05 | C06 | C07 | C08 | 178.4° | 180.0° |
| C06 | C05 | C04 | H8 | 127.5° | 60.0° |
| C06 | C05 | C04 | H9 | 7.3° | 60.0° |
| C06 | C05 | H10 | H11 | 120.0° | 119.9° |
| C05 | C06 | H12 | H13 | 120.1° | 120.0° |
| C05 | C06 | C07 | H14 | 61.6° | 60.0° |
| C05 | C06 | C07 | H15 | 58.4° | 60.0° |
| C38 | C37 | C36 | H49 | 120.0° | 120.0° |
| C38 | C37 | C36 | H50 | 120.0° | 120.0° |
| C38 | C37 | C36 | C35 | 171.6° | 180.0° |
| C38 | C37 | C36 | H47 | 68.4° | 60.1° |
| C38 | C37 | C36 | H48 | 51.5° | 60.0° |
| C38 | C37 | H49 | H50 | 120.0° | 120.0° |
| C37 | C38 | H51 | H52 | 119.8° | 120.0° |
| C37 | C38 | C39 | H53 | 180.0° | 180.0° |
| C37 | C38 | C39 | H54 | 60.0° | 60.0° |
| C37 | C38 | C39 | H55 | 60.0° | 60.0° |
| C06 | C07 | C08 | H14 | 120.0° | 120.0° |
| C06 | C07 | C08 | H15 | 120.0° | 120.0° |
| C06 | C07 | C08 | C09 | 98.3° | 180.0° |
| C07 | C06 | C05 | H10 | 108.3° | 60.0° |
| C07 | C06 | C05 | H11 | 11.6° | 60.0° |
| C07 | C06 | H12 | H13 | 120.1° | 120.0° |
| C06 | C07 | H14 | H15 | 120.0° | 120.0° |
| C06 | C07 | C08 | H16 | 141.8° | 60.0° |
| C06 | C07 | C08 | H17 | 21.6° | 60.0° |
| C37 | C36 | C35 | H47 | 120.1° | 120.0° |
| C37 | C36 | C35 | H48 | 120.1° | 120.0° |
| C37 | C36 | C35 | C34 | 164.4° | 180.0° |
| C37 | C36 | C35 | H45 | 75.6° | 60.0° |
| C37 | C36 | C35 | H46 | 44.5° | 60.0° |
| C37 | C36 | H47 | H48 | 119.9° | 120.1° |
| C36 | C37 | H49 | H50 | 120.0° | 120.0° |
| C36 | C37 | C38 | H51 | 82.7° | 60.0° |
| C36 | C37 | C38 | H52 | 37.2° | 60.0° |
| C07 | C08 | C09 | H16 | 119.9° | 120.0° |
| C07 | C08 | C09 | H17 | 120.0° | 120.0° |
| C07 | C08 | C09 | C10 | 119.9° | 180.0° |
| C08 | C07 | C06 | H12 | 58.4° | 60.0° |
| C08 | C07 | C06 | H13 | 61.7° | 60.0° |
| C08 | C07 | H14 | H15 | 120.0° | 120.0° |
| C07 | C08 | H16 | H17 | 120.2° | 120.0° |
| C07 | C08 | C09 | H18 | 120.1° | 60.0° |
| C07 | C08 | C09 | H19 | 0.1° | 60.0° |
| C36 | C35 | C34 | H45 | 119.9° | 120.0° |
| C36 | C35 | C34 | H46 | 119.9° | 120.0° |
| C36 | C35 | C34 | C33 | 168.4° | 180.0° |
| C36 | C35 | C34 | H43 | 71.6° | 60.0° |
| C36 | C35 | C34 | H44 | 48.3° | 60.0° |
| C36 | C35 | H45 | H46 | 120.2° | 120.0° |
| C35 | C36 | H47 | H48 | 119.8° | 119.9° |
| C35 | C36 | C37 | H49 | 51.6° | 60.0° |
| C35 | C36 | C37 | H50 | 68.4° | 60.0° |
| C08 | C09 | C10 | H18 | 120.0° | 120.0° |
| C08 | C09 | C10 | H19 | 120.0° | 120.0° |
| C08 | C09 | C10 | C11 | 66.5° | 180.0° |
| C09 | C08 | C07 | H14 | 21.7° | 60.0° |
| C09 | C08 | C07 | H15 | 141.7° | 60.0° |
| C09 | C08 | H16 | H17 | 120.2° | 120.0° |
| C08 | C09 | H18 | H19 | 120.0° | 120.0° |
| C08 | C09 | C10 | H20 | 173.5° | 60.0° |
| C08 | C09 | C10 | H21 | 53.5° | 59.9° |
| C35 | C34 | C33 | H43 | 120.0° | 120.0° |
| C35 | C34 | C33 | H44 | 120.1° | 120.0° |
| C35 | C34 | C33 | C32 | 162.6° | 180.0° |
| C35 | C34 | C33 | H41 | 42.6° | 60.0° |
| C35 | C34 | C33 | H42 | 77.5° | 60.0° |
| C35 | C34 | H43 | H44 | 119.8° | 120.0° |
| C34 | C35 | H45 | H46 | 120.2° | 120.0° |
| C34 | C35 | C36 | H47 | 44.4° | 60.0° |
| C34 | C35 | C36 | H48 | 75.5° | 60.0° |
| C09 | C10 | C11 | H20 | 120.0° | 120.0° |
| C09 | C10 | C11 | H21 | 120.0° | 120.0° |
| C09 | C10 | C11 | C12 | 161.3° | 180.0° |
| C10 | C09 | C08 | H16 | 0.1° | 60.0° |
| C10 | C09 | C08 | H17 | 120.2° | 60.0° |
| C10 | C09 | H18 | H19 | 120.0° | 120.0° |
| C09 | C10 | H20 | H21 | 120.0° | 120.0° |
| C09 | C10 | C11 | H22 | 78.7° | 60.0° |
| C09 | C10 | C11 | H23 | 41.4° | 60.0° |
| C10 | C11 | C12 | H22 | 119.9° | 120.0° |
| C10 | C11 | C12 | H23 | 119.9° | 119.9° |
| C10 | C11 | C12 | O13 | 14.6° | 0.0° |
| C10 | C11 | C12 | O14 | 165.3° | 180.0° |
| C11 | C10 | C09 | H18 | 53.5° | 60.0° |
| C11 | C10 | C09 | H19 | 173.5° | 60.0° |
| C11 | C10 | H20 | H21 | 120.1° | 120.0° |
| C10 | C11 | H22 | H23 | 120.2° | 119.9° |
| C34 | C33 | C32 | H41 | 120.0° | 120.0° |
| C34 | C33 | C32 | H42 | 120.0° | 120.0° |
| C34 | C33 | C32 | C31 | 163.3° | 180.0° |
| C34 | C33 | C32 | H39 | 43.2° | 60.0° |
| C34 | C33 | C32 | H40 | 76.5° | 60.0° |
| C34 | C33 | H41 | H42 | 120.2° | 120.0° |
| C33 | C34 | H43 | H44 | 119.8° | 120.0° |
| C33 | C34 | C35 | H45 | 48.5° | 60.0° |
| C33 | C34 | C35 | H46 | 71.6° | 60.0° |
| C33 | C32 | C31 | H39 | 120.1° | 120.0° |
| C33 | C32 | C31 | H40 | 120.1° | 120.0° |
| C33 | C32 | C31 | C30 | 178.2° | 180.0° |
| C33 | C32 | C31 | H37 | 61.7° | 60.0° |
| C33 | C32 | C31 | H38 | 58.0° | 60.0° |
| C33 | C32 | H39 | H40 | 119.7° | 120.0° |
| C32 | C33 | H41 | H42 | 120.1° | 120.0° |
| C32 | C33 | C34 | H43 | 77.4° | 60.0° |
| C32 | C33 | C34 | H44 | 42.5° | 60.0° |
| C11 | C12 | O13 | O14 | 179.9° | 180.0° |
| C11 | C12 | O14 | C15 | 121.3° | 180.0° |
| C12 | C11 | C10 | H20 | 41.4° | 60.0° |
| C12 | C11 | C10 | H21 | 78.7° | 60.0° |
| C12 | C11 | H22 | H23 | 120.3° | 120.0° |
| O13 | C12 | O14 | C15 | 58.8° | 0.0° |
| O13 | C12 | C11 | H22 | 134.6° | 120.0° |
| O13 | C12 | C11 | H23 | 105.3° | 119.9° |
| C12 | O14 | C15 | C16 | 151.8° | 180.0° |
| O14 | C12 | C11 | H22 | 45.3° | 60.0° |
| O14 | C12 | C11 | H23 | 74.8° | 60.1° |
| C12 | O14 | C15 | H24 | 31.7° | 60.1° |
| C12 | O14 | C15 | H25 | 88.3° | 60.0° |
| C32 | C31 | C30 | H37 | 120.2° | 119.9° |
| C32 | C31 | C30 | H38 | 120.2° | 120.0° |
| C32 | C31 | C30 | C29 | 37.5° | 180.0° |
| C32 | C31 | C30 | H35 | 82.7° | 60.0° |
| C32 | C31 | C30 | H36 | 157.6° | 60.0° |
| C32 | C31 | H37 | H38 | 119.5° | 119.9° |
| C31 | C32 | H39 | H40 | 119.7° | 120.0° |
| C31 | C32 | C33 | H41 | 76.7° | 60.0° |
| C31 | C32 | C33 | H42 | 43.4° | 60.0° |
| C31 | C30 | C29 | H35 | 120.2° | 120.0° |
| C31 | C30 | C29 | H36 | 120.1° | 120.0° |
| C31 | C30 | C29 | C27 | 152.5° | 180.0° |
| C31 | C30 | C29 | H33 | 32.4° | 60.1° |
| C31 | C30 | C29 | H34 | 87.4° | 60.0° |
| C31 | C30 | H35 | H36 | 119.5° | 120.0° |
| C30 | C31 | H37 | H38 | 119.5° | 120.1° |
| C30 | C31 | C32 | H39 | 58.1° | 60.0° |
| C30 | C31 | C32 | H40 | 61.7° | 60.0° |
| O14 | C15 | C16 | H24 | 120.0° | 119.9° |
| O14 | C15 | C16 | H25 | 120.0° | 120.1° |
| O14 | C15 | C16 | O26 | 112.3° | 64.9° |
| O14 | C15 | C16 | C17 | 125.3° | 55.1° |
| O14 | C15 | H24 | H25 | 120.0° | 120.1° |
| O14 | C15 | C16 | H26 | 8.3° | 175.0° |
| C30 | C29 | C27 | H33 | 120.1° | 119.9° |
| C30 | C29 | C27 | H34 | 120.1° | 120.0° |
| C30 | C29 | C27 | O26 | 172.5° | 180.0° |
| C30 | C29 | C27 | O28 | 6.1° | 0.1° |
| C30 | C29 | H33 | H34 | 119.7° | 120.0° |
| C29 | C30 | H35 | H36 | 119.5° | 120.0° |
| C29 | C30 | C31 | H37 | 157.7° | 60.1° |
| C29 | C30 | C31 | H38 | 82.7° | 60.0° |
| C29 | C27 | O26 | C16 | 111.6° | 180.0° |
| C29 | C27 | O26 | O28 | 178.6° | 179.9° |
| C27 | C29 | H33 | H34 | 119.7° | 120.0° |
| C27 | C29 | C30 | H35 | 87.4° | 60.0° |
| C27 | C29 | C30 | H36 | 32.3° | 59.9° |
| C15 | C16 | O26 | C17 | 121.9° | 120.0° |
| C15 | C16 | O26 | H26 | 119.7° | 120.0° |
| C15 | C16 | C17 | H26 | 117.0° | 119.9° |
| C15 | C16 | O26 | C27 | 31.1° | 150.0° |
| C15 | C16 | C17 | O18 | 44.6° | 55.0° |
| C16 | C15 | H24 | H25 | 120.0° | 120.0° |
| C15 | C16 | C17 | H27 | 164.6° | 64.9° |
| C15 | C16 | C17 | H28 | 75.3° | 175.0° |
| O26 | C16 | C17 | H26 | 119.4° | 120.0° |
| C16 | O26 | C27 | O28 | 69.7° | 0.1° |
| O26 | C16 | C17 | O18 | 168.3° | 65.0° |
| O26 | C16 | C15 | H24 | 7.7° | 55.0° |
| O26 | C16 | C15 | H25 | 127.7° | 175.0° |
| O26 | C16 | C17 | H27 | 71.7° | 175.1° |
| O26 | C16 | C17 | H28 | 48.3° | 55.0° |
| C17 | C16 | O26 | C27 | 90.9° | 90.0° |
| C16 | C17 | O18 | H27 | 120.0° | 120.0° |
| C16 | C17 | O18 | H28 | 120.0° | 120.0° |
| C16 | C17 | O18 | P19 | 134.2° | 180.0° |
| C17 | C16 | C15 | H24 | 114.7° | 175.0° |
| C17 | C16 | C15 | H25 | 5.3° | 65.0° |
| C16 | C17 | H27 | H28 | 120.0° | 120.1° |
| C27 | O26 | C16 | H26 | 150.8° | 30.0° |
| O26 | C27 | C29 | H33 | 67.4° | 60.1° |
| O26 | C27 | C29 | H34 | 52.4° | 59.9° |
| O28 | C27 | C29 | H33 | 113.9° | 120.0° |
| O28 | C27 | C29 | H34 | 126.3° | 120.0° |
| C17 | O18 | P19 | O21 | 147.7° | 55.0° |
| C17 | O18 | P19 | O22 | 23.8° | 175.0° |
| C17 | O18 | P19 | O20 | 100.7° | 65.0° |
| O18 | C17 | C16 | H26 | 72.4° | 175.0° |
| O18 | C17 | H27 | H28 | 120.0° | 120.0° |
| O18 | P19 | O21 | O22 | 123.5° | 120.0° |
| O18 | P19 | O21 | O20 | 118.2° | 120.0° |
| O18 | P19 | O22 | O20 | 124.4° | 120.0° |
| O18 | P19 | O22 | C23 | 164.0° | 175.0° |
| P19 | O18 | C17 | H27 | 14.2° | 60.0° |
| P19 | O18 | C17 | H28 | 105.8° | 60.0° |
| O18 | P19 | O20 | H59 | 118.1° | 60.0° |
| O21 | P19 | O22 | O20 | 111.6° | 120.1° |
| O21 | P19 | O22 | C23 | 40.0° | 55.0° |
| O21 | P19 | O20 | H59 | 0.0° | 180.0° |
| P19 | O22 | C23 | C24 | 175.9° | 180.0° |
| P19 | O22 | C23 | H29 | 55.9° | 60.0° |
| P19 | O22 | C23 | H30 | 64.1° | 60.0° |
| O22 | P19 | O20 | H59 | 118.0° | 59.9° |
| O20 | P19 | O22 | C23 | 71.6° | 65.1° |
| O22 | C23 | C24 | H29 | 120.0° | 120.0° |
| O22 | C23 | C24 | H30 | 120.0° | 120.0° |
| O22 | C23 | C24 | N25 | 15.8° | 65.0° |
| O22 | C23 | H29 | H30 | 120.0° | 120.0° |
| O22 | C23 | C24 | H31 | 104.2° | 175.0° |
| O22 | C23 | C24 | H32 | 135.8° | 55.0° |
| C23 | C24 | N25 | H31 | 120.0° | 120.0° |
| C23 | C24 | N25 | H32 | 120.0° | 120.0° |
| C24 | C23 | H29 | H30 | 120.0° | 120.0° |
| C23 | C24 | H31 | H32 | 120.0° | 120.0° |
| C23 | C24 | N25 | H56 | 180.0° | 180.0° |
| C23 | C24 | N25 | H57 | 60.0° | 56.1° |
| N25 | C24 | C23 | H29 | 135.8° | 175.0° |
| N25 | C24 | C23 | H30 | 104.2° | 55.0° |
| N25 | C24 | H31 | H32 | 120.1° | 120.0° |
| C24 | N25 | H56 | H57 | 120.0° | 123.9° |
| H1 | C01 | H2 | H3 | 119.9° | 120.0° |
| H1 | C01 | C02 | H4 | 60.0° | 60.0° |
| H1 | C01 | C02 | H5 | 60.0° | 179.9° |
| H2 | C01 | C02 | H4 | 60.0° | 180.0° |
| H2 | C01 | C02 | H5 | NaN° | 60.0° |
| H3 | C01 | C02 | H4 | NaN° | 60.0° |
| H3 | C01 | C02 | H5 | 60.0° | 60.0° |
| H4 | C02 | C03 | H6 | 145.7° | 180.0° |
| H4 | C02 | C03 | H7 | 25.7° | 60.0° |
| H5 | C02 | C03 | H6 | 94.3° | 60.0° |
| H5 | C02 | C03 | H7 | 145.7° | 180.0° |
| H6 | C03 | C04 | H8 | 111.3° | 180.0° |
| H6 | C03 | C04 | H9 | 8.9° | 60.0° |
| H7 | C03 | C04 | H8 | 128.7° | 60.0° |
| H7 | C03 | C04 | H9 | 111.1° | 180.0° |
| H8 | C04 | C05 | H10 | 112.5° | 180.0° |
| H8 | C04 | C05 | H11 | 7.5° | 60.0° |
| H9 | C04 | C05 | H10 | 127.3° | 60.0° |
| H9 | C04 | C05 | H11 | 112.7° | 180.0° |
| H10 | C05 | C06 | H12 | 131.7° | 180.0° |
| H10 | C05 | C06 | H13 | 11.6° | 60.0° |
| H11 | C05 | C06 | H12 | 108.3° | 60.0° |
| H11 | C05 | C06 | H13 | 131.6° | 180.0° |
| H12 | C06 | C07 | H14 | 178.5° | 180.0° |
| H12 | C06 | C07 | H15 | 61.6° | 60.0° |
| H13 | C06 | C07 | H14 | 58.4° | 60.0° |
| H13 | C06 | C07 | H15 | 178.3° | 180.0° |
| H14 | C07 | C08 | H16 | 98.2° | NaN° |
| H14 | C07 | C08 | H17 | 141.6° | 60.0° |
| H15 | C07 | C08 | H16 | 21.8° | 60.0° |
| H15 | C07 | C08 | H17 | 98.4° | 180.0° |
| H16 | C08 | C09 | H18 | 119.9° | 180.0° |
| H16 | C08 | C09 | H19 | 120.1° | 60.0° |
| H17 | C08 | C09 | H18 | 0.2° | 60.0° |
| H17 | C08 | C09 | H19 | 119.8° | 180.0° |
| H18 | C09 | C10 | H20 | 66.5° | 180.0° |
| H18 | C09 | C10 | H21 | 173.5° | 60.0° |
| H19 | C09 | C10 | H20 | 53.6° | 60.0° |
| H19 | C09 | C10 | H21 | 66.5° | 179.9° |
| H20 | C10 | C11 | H22 | 161.3° | 180.0° |
| H20 | C10 | C11 | H23 | 78.6° | 60.0° |
| H21 | C10 | C11 | H22 | 41.2° | 60.0° |
| H21 | C10 | C11 | H23 | 161.4° | 180.0° |
| H24 | C15 | C16 | H26 | 128.3° | 65.1° |
| H25 | C15 | C16 | H26 | 111.7° | 54.9° |
| H26 | C16 | C17 | H27 | 47.6° | 55.0° |
| H26 | C16 | C17 | H28 | 167.7° | 65.1° |
| H29 | C23 | C24 | H31 | 15.8° | 55.0° |
| H29 | C23 | C24 | H32 | 104.3° | 65.0° |
| H30 | C23 | C24 | H31 | 135.8° | 65.1° |
| H30 | C23 | C24 | H32 | 15.8° | 175.0° |
| H31 | C24 | N25 | H56 | 60.0° | 60.0° |
| H31 | C24 | N25 | H57 | 180.0° | 176.1° |
| H32 | C24 | N25 | H56 | 60.0° | 60.0° |
| H32 | C24 | N25 | H57 | 60.0° | 63.9° |
| H33 | C29 | C30 | H35 | 152.5° | 179.9° |
| H33 | C29 | C30 | H36 | 87.8° | 60.0° |
| H34 | C29 | C30 | H35 | 32.8° | 60.0° |
| H34 | C29 | C30 | H36 | 152.5° | 180.0° |
| H35 | C30 | C31 | H37 | 37.5° | 180.0° |
| H35 | C30 | C31 | H38 | 157.2° | 60.0° |
| H36 | C30 | C31 | H37 | 82.2° | 60.0° |
| H36 | C30 | C31 | H38 | 37.5° | 180.0° |
| H37 | C31 | C32 | H39 | 178.2° | 180.0° |
| H37 | C31 | C32 | H40 | 58.5° | 60.0° |
| H38 | C31 | C32 | H39 | 62.1° | 60.0° |
| H38 | C31 | C32 | H40 | 178.1° | 180.0° |
| H39 | C32 | C33 | H41 | 163.2° | 180.0° |
| H39 | C32 | C33 | H42 | 76.7° | 60.0° |
| H40 | C32 | C33 | H41 | 43.4° | 60.0° |
| H40 | C32 | C33 | H42 | 163.5° | 180.0° |
| H41 | C33 | C34 | H43 | 162.6° | 180.0° |
| H41 | C33 | C34 | H44 | 77.4° | 60.0° |
| H42 | C33 | C34 | H43 | 42.6° | 60.0° |
| H42 | C33 | C34 | H44 | 162.5° | 180.0° |
| H43 | C34 | C35 | H45 | 168.5° | 180.0° |
| H43 | C34 | C35 | H46 | 48.4° | 60.0° |
| H44 | C34 | C35 | H45 | 71.6° | 60.0° |
| H44 | C34 | C35 | H46 | 168.3° | 180.0° |
| H45 | C35 | C36 | H47 | 164.3° | 180.0° |
| H45 | C35 | C36 | H48 | 44.4° | 60.1° |
| H46 | C35 | C36 | H47 | 75.6° | 60.0° |
| H46 | C35 | C36 | H48 | 164.6° | 180.0° |
| H47 | C36 | C37 | H49 | 171.7° | 180.0° |
| H47 | C36 | C37 | H50 | 51.6° | 60.0° |
| H48 | C36 | C37 | H49 | 68.4° | 60.0° |
| H48 | C36 | C37 | H50 | 171.5° | 179.9° |
| H49 | C37 | C38 | H51 | 157.3° | 180.0° |
| H49 | C37 | C38 | H52 | 82.8° | 60.0° |
| H50 | C37 | C38 | H51 | 37.3° | 60.0° |
| H50 | C37 | C38 | H52 | 157.2° | 180.0° |
| H51 | C38 | C39 | H53 | 59.9° | 60.0° |
| H51 | C38 | C39 | H54 | 60.1° | 180.0° |
| H51 | C38 | C39 | H55 | 179.9° | 60.0° |
| H52 | C38 | C39 | H53 | 60.0° | 60.0° |
| H52 | C38 | C39 | H54 | 179.9° | 60.0° |
| H52 | C38 | C39 | H55 | 60.1° | 180.0° |
| H53 | C39 | H54 | H55 | 120.0° | 120.0° |
