YSW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N25 | C24 | sing | 1.47Å | 1.47Å | |
| C24 | C23 | sing | 1.53Å | 1.49Å | |
| C23 | O22 | sing | 1.43Å | 1.45Å | |
| O22 | P19 | sing | 1.61Å | 1.60Å | |
| O18 | P19 | sing | 1.61Å | 1.60Å | |
| O18 | C17 | sing | 1.43Å | 1.46Å | |
| P19 | O20 | doub | 1.48Å | 1.48Å | |
| P19 | O21 | sing | 1.61Å | 1.50Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| O28 | C27 | doub | 1.21Å | 1.19Å | |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| C16 | O26 | sing | 1.45Å | 1.46Å | |
| C15 | O14 | sing | 1.45Å | 1.44Å | |
| O26 | C27 | sing | 1.34Å | 1.35Å | |
| C27 | C29 | sing | 1.51Å | 1.51Å | |
| O13 | C12 | doub | 1.21Å | 1.16Å | |
| O14 | C12 | sing | 1.34Å | 1.31Å | |
| C12 | C11 | sing | 1.51Å | 1.45Å | |
| C29 | C30 | sing | 1.53Å | 1.51Å | |
| C11 | C10 | sing | 1.53Å | 1.44Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C10 | C09 | sing | 1.53Å | 1.49Å | |
| C31 | C32 | sing | 1.53Å | 1.50Å | |
| C09 | C08 | sing | 1.53Å | 1.44Å | |
| C08 | C07 | sing | 1.53Å | 1.44Å | |
| C32 | C33 | sing | 1.53Å | 1.49Å | |
| C33 | C34 | sing | 1.53Å | 1.49Å | |
| C07 | C06 | sing | 1.53Å | 1.48Å | |
| C06 | C05 | sing | 1.53Å | 1.46Å | |
| C34 | C35 | sing | 1.53Å | 1.48Å | |
| C05 | C04 | sing | 1.53Å | 1.44Å | |
| C35 | C36 | sing | 1.53Å | 1.50Å | |
| C04 | C03 | sing | 1.53Å | 1.46Å | |
| C36 | C37 | sing | 1.53Å | 1.50Å | |
| C03 | C02 | sing | 1.53Å | 1.49Å | |
| C37 | C38 | sing | 1.53Å | 1.49Å | |
| C02 | C01 | sing | 1.53Å | 1.45Å | |
| C38 | C39 | sing | 1.53Å | 1.51Å | |
| 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 | |
| O21 | H59 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N25 | C24 | C23 | 110.3° | 109.5° |
| N25 | C24 | H31 | 109.3° | 109.5° |
| N25 | C24 | H32 | 109.3° | 109.5° |
| C24 | N25 | H56 | 109.5° | 111.0° |
| C24 | N25 | H57 | 109.5° | 111.0° |
| C24 | C23 | O22 | 106.1° | 109.5° |
| C24 | C23 | H29 | 110.3° | 109.5° |
| C24 | C23 | H30 | 110.3° | 109.4° |
| C23 | C24 | H31 | 109.2° | 109.5° |
| C23 | C24 | H32 | 109.2° | 109.4° |
| C23 | O22 | P19 | 120.1° | 123.0° |
| O22 | C23 | H29 | 110.3° | 109.5° |
| O22 | C23 | H30 | 110.3° | 109.5° |
| O22 | P19 | O18 | 107.2° | 109.5° |
| O22 | P19 | O20 | 105.3° | 109.5° |
| O22 | P19 | O21 | 118.4° | 109.4° |
| P19 | O18 | C17 | 116.7° | 123.0° |
| O18 | P19 | O20 | 102.9° | 109.5° |
| O18 | P19 | O21 | 101.3° | 109.5° |
| O18 | C17 | C16 | 119.9° | 109.5° |
| O18 | C17 | H27 | 106.8° | 109.5° |
| O18 | C17 | H28 | 106.8° | 109.5° |
| O20 | P19 | O21 | 119.9° | 109.5° |
| P19 | O21 | H59 | 109.5° | 114.0° |
| C17 | C16 | C15 | 110.8° | 109.4° |
| C17 | C16 | O26 | 111.0° | 109.5° |
| C17 | C16 | H26 | 106.4° | 109.5° |
| C16 | C17 | H27 | 106.8° | 109.4° |
| C16 | C17 | H28 | 106.8° | 109.5° |
| O28 | C27 | O26 | 120.1° | 120.0° |
| O28 | C27 | C29 | 122.5° | 120.0° |
| C15 | C16 | O26 | 114.7° | 109.5° |
| C16 | C15 | O14 | 109.4° | 109.5° |
| C16 | C15 | H24 | 109.5° | 109.4° |
| C16 | C15 | H25 | 109.5° | 109.4° |
| C15 | C16 | H26 | 106.5° | 109.5° |
| C16 | O26 | C27 | 122.3° | 117.0° |
| O26 | C16 | H26 | 107.0° | 109.5° |
| C15 | O14 | C12 | 115.0° | 117.0° |
| O14 | C15 | H24 | 109.5° | 109.5° |
| O14 | C15 | H25 | 109.5° | 109.4° |
| O26 | C27 | C29 | 117.4° | 120.0° |
| C27 | C29 | C30 | 115.4° | 109.5° |
| C27 | C29 | H33 | 107.9° | 109.5° |
| C27 | C29 | H34 | 107.9° | 109.5° |
| O13 | C12 | O14 | 123.2° | 120.0° |
| O13 | C12 | C11 | 125.8° | 120.1° |
| O14 | C12 | C11 | 111.1° | 120.0° |
| C12 | C11 | C10 | 111.8° | 109.4° |
| C12 | C11 | H22 | 108.9° | 109.5° |
| C12 | C11 | H23 | 108.9° | 109.5° |
| C29 | C30 | C31 | 112.8° | 109.5° |
| C30 | C29 | H33 | 108.0° | 109.4° |
| C30 | C29 | H34 | 108.0° | 109.5° |
| C29 | C30 | H35 | 108.6° | 109.4° |
| C29 | C30 | H36 | 108.6° | 109.5° |
| C11 | C10 | C09 | 110.6° | 109.5° |
| C11 | C10 | H20 | 109.2° | 109.5° |
| C11 | C10 | H21 | 109.2° | 109.5° |
| C10 | C11 | H22 | 108.9° | 109.5° |
| C10 | C11 | H23 | 108.9° | 109.5° |
| C30 | C31 | C32 | 118.0° | 109.5° |
| C31 | C30 | H35 | 108.6° | 109.5° |
| C31 | C30 | H36 | 108.6° | 109.5° |
| C30 | C31 | H37 | 107.3° | 109.4° |
| C30 | C31 | H38 | 107.3° | 109.5° |
| C10 | C09 | C08 | 112.1° | 109.5° |
| C10 | C09 | H18 | 108.8° | 109.5° |
| C10 | C09 | H19 | 108.8° | 109.4° |
| C09 | C10 | H20 | 109.2° | 109.5° |
| C09 | C10 | H21 | 109.2° | 109.5° |
| C31 | C32 | C33 | 114.0° | 109.5° |
| C32 | C31 | H37 | 107.3° | 109.5° |
| C32 | C31 | H38 | 107.3° | 109.5° |
| C31 | C32 | H39 | 108.3° | 109.5° |
| C31 | C32 | H40 | 108.3° | 109.5° |
| C09 | C08 | C07 | 110.2° | 109.5° |
| C09 | C08 | H16 | 109.3° | 109.5° |
| C09 | C08 | H17 | 109.3° | 109.5° |
| C08 | C09 | H18 | 108.8° | 109.5° |
| C08 | C09 | H19 | 108.8° | 109.5° |
| C08 | C07 | C06 | 112.8° | 109.5° |
| C08 | C07 | H14 | 108.6° | 109.5° |
| C08 | C07 | H15 | 108.7° | 109.5° |
| C07 | C08 | H16 | 109.3° | 109.5° |
| C07 | C08 | H17 | 109.3° | 109.4° |
| C32 | C33 | C34 | 114.6° | 109.5° |
| C33 | C32 | H39 | 108.3° | 109.5° |
| C33 | C32 | H40 | 108.3° | 109.5° |
| C32 | C33 | H41 | 108.2° | 109.5° |
| C32 | C33 | H42 | 108.2° | 109.5° |
| C33 | C34 | C35 | 112.7° | 109.5° |
| C34 | C33 | H41 | 108.2° | 109.5° |
| C34 | C33 | H42 | 108.2° | 109.4° |
| C33 | C34 | H43 | 108.7° | 109.5° |
| C33 | C34 | H44 | 108.7° | 109.4° |
| C07 | C06 | C05 | 110.8° | 109.5° |
| C07 | C06 | H12 | 109.1° | 109.5° |
| C07 | C06 | H13 | 109.1° | 109.5° |
| C06 | C07 | H14 | 108.6° | 109.4° |
| C06 | C07 | H15 | 108.6° | 109.5° |
| C06 | C05 | C04 | 115.5° | 109.5° |
| C06 | C05 | H10 | 107.9° | 109.5° |
| C06 | C05 | H11 | 107.9° | 109.5° |
| C05 | C06 | H12 | 109.1° | 109.4° |
| C05 | C06 | H13 | 109.1° | 109.5° |
| C34 | C35 | C36 | 116.8° | 109.5° |
| C35 | C34 | H43 | 108.6° | 109.5° |
| C35 | C34 | H44 | 108.6° | 109.4° |
| C34 | C35 | H45 | 107.6° | 109.5° |
| C34 | C35 | H46 | 107.6° | 109.5° |
| C05 | C04 | C03 | 113.2° | 109.4° |
| C05 | C04 | H8 | 108.5° | 109.5° |
| C05 | C04 | H9 | 108.5° | 109.4° |
| C04 | C05 | H10 | 108.0° | 109.5° |
| C04 | C05 | H11 | 108.0° | 109.4° |
| C35 | C36 | C37 | 113.4° | 109.4° |
| C36 | C35 | H45 | 107.6° | 109.5° |
| C36 | C35 | H46 | 107.6° | 109.5° |
| C35 | C36 | H47 | 108.5° | 109.5° |
| C35 | C36 | H48 | 108.5° | 109.4° |
| C04 | C03 | C02 | 115.3° | 109.4° |
| C04 | C03 | H6 | 108.0° | 109.5° |
| C04 | C03 | H7 | 108.0° | 109.5° |
| C03 | C04 | H8 | 108.5° | 109.5° |
| C03 | C04 | H9 | 108.5° | 109.5° |
| C36 | C37 | C38 | 113.8° | 109.4° |
| C37 | C36 | H47 | 108.5° | 109.5° |
| C37 | C36 | H48 | 108.5° | 109.5° |
| C36 | C37 | H49 | 108.4° | 109.5° |
| C36 | C37 | H50 | 108.4° | 109.4° |
| C03 | C02 | C01 | 103.8° | 109.5° |
| C03 | C02 | H4 | 110.9° | 109.5° |
| C03 | C02 | H5 | 110.9° | 109.5° |
| C02 | C03 | H6 | 108.0° | 109.4° |
| C02 | C03 | H7 | 108.0° | 109.5° |
| C37 | C38 | C39 | 119.6° | 109.5° |
| C38 | C37 | H49 | 108.4° | 109.5° |
| C38 | C37 | H50 | 108.4° | 109.5° |
| C37 | C38 | H51 | 106.9° | 109.5° |
| C37 | C38 | H52 | 106.9° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.4° |
| C02 | C01 | H3 | 109.5° | 109.4° |
| C01 | C02 | H4 | 110.9° | 109.5° |
| C01 | C02 | H5 | 110.9° | 109.5° |
| C39 | C38 | H51 | 106.9° | 109.5° |
| C39 | C38 | H52 | 106.9° | 109.4° |
| C38 | C39 | H53 | 109.5° | 109.5° |
| C38 | C39 | H54 | 109.5° | 109.5° |
| C38 | C39 | H55 | 109.5° | 109.4° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C02 | H5 | 109.5° | 109.5° |
| 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 | 109.4° | 109.4° |
| H16 | C08 | H17 | 109.5° | 109.4° |
| H18 | C09 | H19 | 109.5° | 109.4° |
| H20 | C10 | H21 | 109.4° | 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° | 109.5° |
| H37 | C31 | H38 | 109.5° | 109.5° |
| H39 | C32 | H40 | 109.5° | 109.4° |
| H41 | C33 | H42 | 109.4° | 109.4° |
| H43 | C34 | H44 | 109.5° | 109.5° |
| H45 | C35 | H46 | 109.5° | 109.4° |
| H47 | C36 | H48 | 109.5° | 109.5° |
| H49 | C37 | H50 | 109.4° | 109.5° |
| H51 | C38 | H52 | 109.5° | 109.5° |
| H53 | C39 | H54 | 109.4° | 109.5° |
| H53 | C39 | H55 | 109.5° | 109.4° |
| H54 | C39 | H55 | 109.5° | 109.5° |
| H56 | N25 | H57 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N25 | C24 | C23 | H31 | 120.2° | 120.0° |
| N25 | C24 | C23 | H32 | 120.1° | 120.0° |
| N25 | C24 | C23 | O22 | 162.3° | 65.0° |
| N25 | C24 | C23 | H29 | 42.8° | 175.0° |
| N25 | C24 | C23 | H30 | 78.3° | 55.0° |
| N25 | C24 | H31 | H32 | 119.6° | 120.1° |
| C24 | N25 | H56 | H57 | 120.0° | 124.0° |
| C24 | C23 | O22 | H29 | 119.4° | 120.0° |
| C24 | C23 | O22 | H30 | 119.5° | 119.9° |
| C24 | C23 | O22 | P19 | 126.7° | 180.0° |
| C24 | C23 | H29 | H30 | 121.6° | 120.0° |
| C23 | C24 | H31 | H32 | 119.6° | 119.9° |
| C23 | C24 | N25 | H56 | 180.0° | 180.0° |
| C23 | C24 | N25 | H57 | 60.0° | 56.1° |
| C23 | O22 | P19 | O18 | 163.1° | 175.0° |
| C23 | O22 | P19 | O20 | 54.0° | 55.0° |
| C23 | O22 | P19 | O21 | 83.3° | 65.0° |
| O22 | C23 | H29 | H30 | 121.6° | 120.0° |
| O22 | C23 | C24 | H31 | 77.6° | 175.0° |
| O22 | C23 | C24 | H32 | 42.1° | 55.0° |
| O22 | P19 | O18 | O20 | 110.7° | 120.0° |
| O22 | P19 | O18 | O21 | 124.7° | 120.0° |
| O22 | P19 | O18 | C17 | 125.3° | 175.0° |
| O22 | P19 | O20 | O21 | 136.5° | 120.0° |
| P19 | O22 | C23 | H29 | 113.8° | 60.0° |
| P19 | O22 | C23 | H30 | 7.2° | 60.1° |
| O22 | P19 | O21 | H59 | 131.0° | 60.1° |
| O18 | P19 | O20 | O21 | 111.3° | 120.0° |
| P19 | O18 | C17 | C16 | 85.8° | 180.0° |
| P19 | O18 | C17 | H27 | 152.7° | 60.0° |
| P19 | O18 | C17 | H28 | 35.7° | 60.0° |
| O18 | P19 | O21 | H59 | 112.1° | 59.9° |
| C17 | O18 | P19 | O20 | 14.5° | 55.0° |
| C17 | O18 | P19 | O21 | 110.0° | 65.0° |
| O18 | C17 | C16 | H27 | 121.5° | 120.0° |
| O18 | C17 | C16 | H28 | 121.5° | 120.0° |
| O18 | C17 | C16 | C15 | 105.6° | 55.0° |
| O18 | C17 | C16 | O26 | 23.0° | 65.0° |
| O18 | C17 | C16 | H26 | 139.1° | 175.0° |
| O18 | C17 | H27 | H28 | 115.3° | 120.0° |
| O20 | P19 | O21 | H59 | 0.0° | 180.0° |
| C17 | C16 | C15 | O26 | 126.5° | 120.0° |
| C17 | C16 | C15 | H26 | 115.3° | 120.0° |
| C17 | C16 | O26 | H26 | 115.7° | 120.0° |
| C17 | C16 | C15 | O14 | 118.2° | 55.0° |
| C17 | C16 | O26 | C27 | 100.7° | 90.0° |
| C17 | C16 | C15 | H24 | 121.8° | 65.0° |
| C17 | C16 | C15 | H25 | 1.8° | 175.0° |
| C16 | C17 | H27 | H28 | 115.3° | 120.0° |
| O28 | C27 | O26 | C16 | 61.8° | 0.0° |
| O28 | C27 | O26 | C29 | 179.5° | 179.9° |
| O28 | C27 | C29 | C30 | 146.6° | 0.1° |
| O28 | C27 | C29 | H33 | 92.6° | 120.0° |
| O28 | C27 | C29 | H34 | 25.7° | 120.0° |
| C15 | C16 | O26 | H26 | 117.8° | 120.0° |
| C16 | C15 | O14 | H24 | 120.0° | 120.0° |
| C16 | C15 | O14 | H25 | 120.0° | 119.9° |
| C15 | C16 | O26 | C27 | 25.8° | 150.0° |
| C16 | C15 | O14 | C12 | 164.0° | 180.0° |
| C16 | C15 | H24 | H25 | 120.0° | 120.0° |
| C15 | C16 | C17 | H27 | 15.9° | 175.0° |
| C15 | C16 | C17 | H28 | 132.9° | 65.0° |
| O26 | C16 | C15 | O14 | 115.2° | 64.9° |
| C16 | O26 | C27 | C29 | 118.7° | 179.9° |
| O26 | C16 | C15 | H24 | 4.8° | 175.0° |
| O26 | C16 | C15 | H25 | 124.8° | 55.0° |
| O26 | C16 | C17 | H27 | 144.5° | 55.0° |
| O26 | C16 | C17 | H28 | 98.5° | 175.0° |
| C15 | O14 | C12 | O13 | 69.9° | 0.0° |
| C15 | O14 | C12 | C11 | 109.7° | 180.0° |
| O14 | C15 | H24 | H25 | 120.0° | 120.0° |
| O14 | C15 | C16 | H26 | 2.9° | 175.0° |
| O26 | C27 | C29 | C30 | 34.0° | 180.0° |
| C27 | O26 | C16 | H26 | 143.6° | 30.0° |
| O26 | C27 | C29 | H33 | 86.9° | 60.0° |
| O26 | C27 | C29 | H34 | 154.8° | 60.0° |
| C27 | C29 | C30 | H33 | 120.8° | 120.0° |
| C27 | C29 | C30 | H34 | 120.9° | 120.1° |
| C27 | C29 | C30 | C31 | 168.9° | 180.0° |
| C27 | C29 | H33 | H34 | 117.3° | 120.0° |
| C27 | C29 | C30 | H35 | 48.4° | 60.0° |
| C27 | C29 | C30 | H36 | 70.6° | 59.9° |
| O13 | C12 | O14 | C11 | 179.6° | 180.0° |
| O13 | C12 | C11 | C10 | 129.3° | 0.0° |
| O13 | C12 | C11 | H22 | 110.4° | 120.0° |
| O13 | C12 | C11 | H23 | 8.9° | 119.9° |
| O14 | C12 | C11 | C10 | 51.1° | 180.0° |
| O14 | C12 | C11 | H22 | 69.2° | 60.0° |
| O14 | C12 | C11 | H23 | 171.5° | 60.0° |
| C12 | O14 | C15 | H24 | 44.0° | 60.0° |
| C12 | O14 | C15 | H25 | 76.0° | 60.1° |
| C12 | C11 | C10 | H22 | 120.4° | 120.0° |
| C12 | C11 | C10 | H23 | 120.3° | 120.0° |
| C12 | C11 | C10 | C09 | 160.5° | 180.0° |
| C12 | C11 | C10 | H20 | 40.3° | 60.0° |
| C12 | C11 | C10 | H21 | 79.3° | 60.0° |
| C12 | C11 | H22 | H23 | 118.9° | 120.0° |
| C29 | C30 | C31 | H35 | 120.5° | 119.9° |
| C29 | C30 | C31 | H36 | 120.5° | 120.0° |
| C29 | C30 | C31 | C32 | 174.5° | 180.0° |
| C30 | C29 | H33 | H34 | 117.3° | 120.0° |
| C29 | C30 | H35 | H36 | 118.5° | 120.0° |
| C29 | C30 | C31 | H37 | 64.2° | 60.0° |
| C29 | C30 | C31 | H38 | 53.3° | 60.0° |
| C11 | C10 | C09 | H20 | 120.2° | 120.0° |
| C11 | C10 | C09 | H21 | 120.2° | 120.0° |
| C11 | C10 | C09 | C08 | 56.6° | 180.0° |
| C11 | C10 | C09 | H18 | 176.9° | 60.0° |
| C11 | C10 | C09 | H19 | 63.9° | 60.0° |
| C11 | C10 | H20 | H21 | 119.5° | 120.0° |
| C10 | C11 | H22 | H23 | 118.9° | 120.0° |
| C30 | C31 | C32 | H37 | 121.2° | 119.9° |
| C30 | C31 | C32 | H38 | 121.2° | 120.1° |
| C30 | C31 | C32 | C33 | 77.4° | 180.0° |
| C31 | C30 | C29 | H33 | 70.3° | 60.0° |
| C31 | C30 | C29 | H34 | 48.0° | 59.9° |
| C31 | C30 | H35 | H36 | 118.4° | 120.0° |
| C30 | C31 | H37 | H38 | 116.1° | 120.0° |
| C30 | C31 | C32 | H39 | 162.0° | 60.0° |
| C30 | C31 | C32 | H40 | 43.3° | 60.0° |
| C10 | C09 | C08 | H18 | 120.4° | 120.1° |
| C10 | C09 | C08 | H19 | 120.4° | 120.0° |
| C10 | C09 | C08 | C07 | 166.0° | NaN° |
| C10 | C09 | C08 | H16 | 73.9° | 59.9° |
| C10 | C09 | C08 | H17 | 45.9° | 60.0° |
| C10 | C09 | H18 | H19 | 118.8° | 119.9° |
| C09 | C10 | H20 | H21 | 119.5° | 120.0° |
| C09 | C10 | C11 | H22 | 79.1° | 60.0° |
| C09 | C10 | C11 | H23 | 40.2° | 60.0° |
| C31 | C32 | C33 | H39 | 120.7° | 120.0° |
| C31 | C32 | C33 | H40 | 120.7° | 120.1° |
| C31 | C32 | C33 | C34 | 113.7° | 179.9° |
| C32 | C31 | C30 | H35 | 54.0° | 60.1° |
| C32 | C31 | C30 | H36 | 64.9° | 60.0° |
| C32 | C31 | H37 | H38 | 116.1° | 120.0° |
| C31 | C32 | H39 | H40 | 117.9° | 120.1° |
| C31 | C32 | C33 | H41 | 125.6° | 60.0° |
| C31 | C32 | C33 | H42 | 7.1° | 60.0° |
| C09 | C08 | C07 | H16 | 120.1° | 120.1° |
| C09 | C08 | C07 | H17 | 120.1° | 120.0° |
| C09 | C08 | C07 | C06 | 61.1° | 180.0° |
| C09 | C08 | C07 | H14 | 59.4° | 60.0° |
| C09 | C08 | C07 | H15 | 178.4° | 60.0° |
| C09 | C08 | H16 | H17 | 119.7° | 120.0° |
| C08 | C09 | H18 | H19 | 118.7° | 120.0° |
| C08 | C09 | C10 | H20 | 63.6° | 59.9° |
| C08 | C09 | C10 | H21 | 176.7° | 60.0° |
| C08 | C07 | C06 | H14 | 120.5° | 120.0° |
| C08 | C07 | C06 | H15 | 120.5° | 120.0° |
| C08 | C07 | C06 | C05 | 135.7° | 180.0° |
| C08 | C07 | C06 | H12 | 104.1° | 60.0° |
| C08 | C07 | C06 | H13 | 15.5° | 60.0° |
| C08 | C07 | H14 | H15 | 118.5° | 120.0° |
| C07 | C08 | H16 | H17 | 119.7° | 119.9° |
| C07 | C08 | C09 | H18 | 45.5° | 59.9° |
| C07 | C08 | C09 | H19 | 73.6° | 60.0° |
| C32 | C33 | C34 | H41 | 120.8° | 120.0° |
| C32 | C33 | C34 | H42 | 120.8° | 120.0° |
| C32 | C33 | C34 | C35 | 150.0° | 180.0° |
| C33 | C32 | C31 | H37 | 43.9° | 60.1° |
| C33 | C32 | C31 | H38 | 161.4° | 60.0° |
| C33 | C32 | H39 | H40 | 117.9° | 119.9° |
| C32 | C33 | H41 | H42 | 117.7° | 120.0° |
| C32 | C33 | C34 | H43 | 89.6° | 60.0° |
| C32 | C33 | C34 | H44 | 29.5° | 60.0° |
| C33 | C34 | C35 | H43 | 120.5° | 120.1° |
| C33 | C34 | C35 | H44 | 120.5° | 119.9° |
| C33 | C34 | C35 | C36 | 119.4° | 180.0° |
| C34 | C33 | C32 | H39 | 7.0° | 59.9° |
| C34 | C33 | C32 | H40 | 125.7° | 60.0° |
| C34 | C33 | H41 | H42 | 117.7° | 119.9° |
| C33 | C34 | H43 | H44 | 118.5° | 120.0° |
| C33 | C34 | C35 | H45 | 1.7° | 60.0° |
| C33 | C34 | C35 | H46 | 119.6° | 60.0° |
| C07 | C06 | C05 | H12 | 120.2° | 120.0° |
| C07 | C06 | C05 | H13 | 120.2° | 120.0° |
| C07 | C06 | C05 | C04 | 144.2° | 180.0° |
| C07 | C06 | C05 | H10 | 94.9° | 60.0° |
| C07 | C06 | C05 | H11 | 23.3° | 60.0° |
| C07 | C06 | H12 | H13 | 119.4° | 120.0° |
| C06 | C07 | H14 | H15 | 118.5° | 120.0° |
| C06 | C07 | C08 | H16 | 178.8° | 60.0° |
| C06 | C07 | C08 | H17 | 59.0° | 60.0° |
| C06 | C05 | C04 | H10 | 120.9° | 120.0° |
| C06 | C05 | C04 | H11 | 120.9° | 120.0° |
| C06 | C05 | C04 | C03 | 136.2° | 180.0° |
| C06 | C05 | C04 | H8 | 15.6° | 60.0° |
| C06 | C05 | C04 | H9 | 103.3° | 60.0° |
| C06 | C05 | H10 | H11 | 117.2° | 120.0° |
| C05 | C06 | H12 | H13 | 119.4° | 120.0° |
| C05 | C06 | C07 | H14 | 15.2° | 60.0° |
| C05 | C06 | C07 | H15 | 103.8° | 60.0° |
| C34 | C35 | C36 | H45 | 121.0° | 120.1° |
| C34 | C35 | C36 | H46 | 121.0° | 120.0° |
| C34 | C35 | C36 | C37 | 136.0° | 180.0° |
| C35 | C34 | C33 | H41 | 29.2° | 59.9° |
| C35 | C34 | C33 | H42 | 89.3° | 60.0° |
| C35 | C34 | H43 | H44 | 118.5° | 120.0° |
| C34 | C35 | H45 | H46 | 116.7° | 120.0° |
| C34 | C35 | C36 | H47 | 15.4° | 60.0° |
| C34 | C35 | C36 | H48 | 103.4° | 60.1° |
| C05 | C04 | C03 | H8 | 120.5° | 120.0° |
| C05 | C04 | C03 | H9 | 120.6° | 119.9° |
| C05 | C04 | C03 | C02 | 121.1° | 180.0° |
| C05 | C04 | C03 | H6 | 0.2° | 60.0° |
| C05 | C04 | C03 | H7 | 118.1° | 60.0° |
| C05 | C04 | H8 | H9 | 118.3° | 120.0° |
| C04 | C05 | H10 | H11 | 117.3° | 120.0° |
| C04 | C05 | C06 | H12 | 24.0° | 60.0° |
| C04 | C05 | C06 | H13 | 95.6° | 60.1° |
| C35 | C36 | C37 | H47 | 120.6° | 120.0° |
| C35 | C36 | C37 | H48 | 120.6° | 119.9° |
| C35 | C36 | C37 | C38 | 149.0° | 180.0° |
| C36 | C35 | C34 | H43 | 120.1° | 59.9° |
| C36 | C35 | C34 | H44 | 1.1° | 60.1° |
| C36 | C35 | H45 | H46 | 116.7° | 120.0° |
| C35 | C36 | H47 | H48 | 118.2° | 120.0° |
| C35 | C36 | C37 | H49 | 28.3° | 59.9° |
| C35 | C36 | C37 | H50 | 90.4° | 60.0° |
| C04 | C03 | C02 | H6 | 120.8° | 120.0° |
| C04 | C03 | C02 | H7 | 120.9° | 120.0° |
| C04 | C03 | C02 | C01 | 122.1° | 180.0° |
| C04 | C03 | C02 | H4 | 3.0° | 60.0° |
| C04 | C03 | C02 | H5 | 118.8° | 60.0° |
| C04 | C03 | H6 | H7 | 117.4° | 120.0° |
| C03 | C04 | H8 | H9 | 118.3° | 120.1° |
| C03 | C04 | C05 | H10 | 103.0° | 60.0° |
| C03 | C04 | C05 | H11 | 15.3° | 60.0° |
| C36 | C37 | C38 | H49 | 120.7° | 120.0° |
| C36 | C37 | C38 | H50 | 120.7° | 119.9° |
| C36 | C37 | C38 | C39 | 177.1° | 180.0° |
| C37 | C36 | C35 | H45 | 103.0° | 60.0° |
| C37 | C36 | C35 | H46 | 15.0° | 60.0° |
| C37 | C36 | H47 | H48 | 118.2° | 120.0° |
| C36 | C37 | H49 | H50 | 118.0° | 119.9° |
| C36 | C37 | C38 | H51 | 55.6° | 60.0° |
| C36 | C37 | C38 | H52 | 61.5° | 60.1° |
| C03 | C02 | C01 | H4 | 119.1° | 120.0° |
| C03 | C02 | C01 | H5 | 119.1° | 120.0° |
| 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 | 122.6° | 120.0° |
| C02 | C03 | H6 | H7 | 117.3° | 120.0° |
| C02 | C03 | C04 | H8 | 118.4° | 60.1° |
| C02 | C03 | C04 | H9 | 0.5° | 60.0° |
| C37 | C38 | C39 | H51 | 121.4° | 120.1° |
| C37 | C38 | C39 | H52 | 121.4° | 119.9° |
| C38 | C37 | C36 | H47 | 90.5° | 60.0° |
| C38 | C37 | C36 | H48 | 28.4° | 60.1° |
| C38 | C37 | H49 | H50 | 118.0° | 120.1° |
| C37 | C38 | H51 | H52 | 115.4° | 120.0° |
| C37 | C38 | C39 | H53 | 180.0° | 180.0° |
| C37 | C38 | C39 | H54 | 60.0° | 60.0° |
| C37 | C38 | C39 | H55 | 60.0° | 60.1° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 119.9° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | H4 | H5 | 122.6° | 120.0° |
| C01 | C02 | C03 | H6 | 117.1° | 60.0° |
| C01 | C02 | C03 | H7 | 1.2° | 60.0° |
| C39 | C38 | C37 | H49 | 62.3° | 60.0° |
| C39 | C38 | C37 | H50 | 56.4° | 60.1° |
| C39 | C38 | H51 | H52 | 115.4° | 120.0° |
| C38 | C39 | H53 | H54 | 120.0° | 120.1° |
| C38 | C39 | H53 | H55 | 120.0° | 119.9° |
| C38 | C39 | H54 | H55 | 120.0° | 120.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 60.9° | 60.0° |
| H1 | C01 | C02 | H5 | 60.9° | 180.0° |
| H2 | C01 | C02 | H4 | 179.1° | 180.0° |
| H2 | C01 | C02 | H5 | 59.1° | 60.0° |
| H3 | C01 | C02 | H4 | 59.1° | 60.0° |
| H3 | C01 | C02 | H5 | 179.1° | 60.0° |
| H4 | C02 | C03 | H6 | 123.8° | 179.9° |
| H4 | C02 | C03 | H7 | 117.9° | 60.0° |
| H5 | C02 | C03 | H6 | 2.0° | 59.9° |
| H5 | C02 | C03 | H7 | 120.3° | 180.0° |
| H6 | C03 | C04 | H8 | 120.8° | 180.0° |
| H6 | C03 | C04 | H9 | 120.3° | 59.9° |
| H7 | C03 | C04 | H8 | 2.5° | 60.0° |
| H7 | C03 | C04 | H9 | 121.3° | 180.0° |
| H8 | C04 | C05 | H10 | 136.5° | 180.0° |
| H8 | C04 | C05 | H11 | 105.2° | 60.0° |
| H9 | C04 | C05 | H10 | 17.6° | 60.0° |
| H9 | C04 | C05 | H11 | 135.9° | 180.0° |
| H10 | C05 | C06 | H12 | 144.8° | 180.0° |
| H10 | C05 | C06 | H13 | 25.3° | 60.0° |
| H11 | C05 | C06 | H12 | 96.9° | 60.0° |
| H11 | C05 | C06 | H13 | 143.5° | 180.0° |
| H12 | C06 | C07 | H14 | 135.4° | 179.9° |
| H12 | C06 | C07 | H15 | 16.4° | 60.0° |
| H13 | C06 | C07 | H14 | 105.0° | 60.0° |
| H13 | C06 | C07 | H15 | 136.0° | 180.0° |
| H14 | C07 | C08 | H16 | 60.7° | 180.0° |
| H14 | C07 | C08 | H17 | 179.5° | 60.0° |
| H15 | C07 | C08 | H16 | 58.3° | 60.1° |
| H15 | C07 | C08 | H17 | 61.5° | 180.0° |
| H16 | C08 | C09 | H18 | 165.6° | 180.0° |
| H16 | C08 | C09 | H19 | 46.5° | 60.0° |
| H17 | C08 | C09 | H18 | 74.6° | 60.0° |
| H17 | C08 | C09 | H19 | 166.3° | NaN° |
| H18 | C09 | C10 | H20 | 56.8° | 180.0° |
| H18 | C09 | C10 | H21 | 62.9° | 60.1° |
| H19 | C09 | C10 | H20 | 176.0° | 60.1° |
| H19 | C09 | C10 | H21 | 56.3° | 180.0° |
| H20 | C10 | C11 | H22 | 160.7° | 179.9° |
| H20 | C10 | C11 | H23 | 80.0° | 60.0° |
| H21 | C10 | C11 | H22 | 41.1° | 60.0° |
| H21 | C10 | C11 | H23 | 160.3° | 180.0° |
| H24 | C15 | C16 | H26 | 122.9° | 55.0° |
| H25 | C15 | C16 | H26 | 117.1° | 65.0° |
| H26 | C16 | C17 | H27 | 99.5° | 65.0° |
| H26 | C16 | C17 | H28 | 17.6° | 55.0° |
| H29 | C23 | C24 | H31 | 163.0° | 55.0° |
| H29 | C23 | C24 | H32 | 77.3° | 65.0° |
| H30 | C23 | C24 | H31 | 41.9° | 65.0° |
| H30 | C23 | C24 | H32 | 161.6° | 175.0° |
| H31 | C24 | N25 | H56 | 59.9° | 60.0° |
| H31 | C24 | N25 | H57 | 60.2° | 176.0° |
| H32 | C24 | N25 | H56 | 59.9° | 60.1° |
| H32 | C24 | N25 | H57 | 179.9° | 63.9° |
| H33 | C29 | C30 | H35 | 169.2° | 180.0° |
| H33 | C29 | C30 | H36 | 50.2° | 60.0° |
| H34 | C29 | C30 | H35 | 72.5° | 60.0° |
| H34 | C29 | C30 | H36 | 168.5° | 180.0° |
| H35 | C30 | C31 | H37 | 175.3° | 180.0° |
| H35 | C30 | C31 | H38 | 67.2° | 60.0° |
| H36 | C30 | C31 | H37 | 56.3° | 60.0° |
| H36 | C30 | C31 | H38 | 173.8° | 180.0° |
| H37 | C31 | C32 | H39 | 76.8° | 179.9° |
| H37 | C31 | C32 | H40 | 164.5° | 60.0° |
| H38 | C31 | C32 | H39 | 40.7° | 60.0° |
| H38 | C31 | C32 | H40 | 77.9° | 180.0° |
| H39 | C32 | C33 | H41 | 113.7° | 180.0° |
| H39 | C32 | C33 | H42 | 127.8° | 60.0° |
| H40 | C32 | C33 | H41 | 4.9° | 60.1° |
| H40 | C32 | C33 | H42 | 113.5° | 180.0° |
| H41 | C33 | C34 | H43 | 149.7° | 180.0° |
| H41 | C33 | C34 | H44 | 91.3° | 60.0° |
| H42 | C33 | C34 | H43 | 31.2° | 60.0° |
| H42 | C33 | C34 | H44 | 150.2° | 180.0° |
| H43 | C34 | C35 | H45 | 118.8° | 180.0° |
| H43 | C34 | C35 | H46 | 0.9° | 60.0° |
| H44 | C34 | C35 | H45 | 122.2° | 60.0° |
| H44 | C34 | C35 | H46 | 119.9° | 180.0° |
| H45 | C35 | C36 | H47 | 136.4° | 179.9° |
| H45 | C35 | C36 | H48 | 17.6° | 60.0° |
| H46 | C35 | C36 | H47 | 105.6° | 60.0° |
| H46 | C35 | C36 | H48 | 135.5° | 180.0° |
| H47 | C36 | C37 | H49 | 148.9° | 179.9° |
| H47 | C36 | C37 | H50 | 30.2° | 60.0° |
| H48 | C36 | C37 | H49 | 92.3° | 60.0° |
| H48 | C36 | C37 | H50 | 149.0° | 180.0° |
| H49 | C37 | C38 | H51 | 176.3° | 180.0° |
| H49 | C37 | C38 | H52 | 59.1° | 60.0° |
| H50 | C37 | C38 | H51 | 65.0° | 60.0° |
| H50 | C37 | C38 | H52 | 177.8° | 180.0° |
| H51 | C38 | C39 | H53 | 58.6° | 59.9° |
| H51 | C38 | C39 | H54 | 178.6° | 180.0° |
| H51 | C38 | C39 | H55 | 61.4° | 60.0° |
| H52 | C38 | C39 | H53 | 58.6° | 60.1° |
| H52 | C38 | C39 | H54 | 61.4° | 60.0° |
| H52 | C38 | C39 | H55 | 178.6° | 180.0° |
| H53 | C39 | H54 | H55 | 120.0° | 119.9° |
