A1C21
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.54Å | |
| C01 | O2 | sing | 1.34Å | 1.26Å | |
| C01 | O7 | doub | 1.21Å | 1.26Å | |
| C1 | N1 | sing | 1.47Å | 1.49Å | |
| C1 | C2 | sing | 1.53Å | 1.56Å | |
| N1 | C8 | sing | 1.47Å | 1.49Å | |
| N1 | C10 | sing | 1.47Å | 1.48Å | |
| O01 | C9 | doub | 1.21Å | 1.25Å | |
| C02 | N2 | sing | 1.47Å | 1.48Å | |
| C2 | N2 | sing | 1.47Å | 1.49Å | |
| N2 | C3 | sing | 1.47Å | 1.49Å | |
| C03 | N3 | sing | 1.47Å | 1.48Å | |
| C03 | C13 | sing | 1.51Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.56Å | |
| N3 | C4 | sing | 1.47Å | 1.49Å | |
| N3 | C5 | sing | 1.47Å | 1.49Å | |
| O3 | C13 | sing | 1.34Å | 1.26Å | |
| C04 | C05 | sing | 1.51Å | 1.61Å | |
| C04 | C08 | sing | 1.53Å | 1.57Å | |
| N4 | C6 | sing | 1.47Å | 1.48Å | |
| N4 | C7 | sing | 1.47Å | 1.49Å | |
| N4 | C41 | sing | 1.47Å | 1.49Å | |
| C05 | O06 | doub | 1.21Å | 1.44Å | |
| C05 | O07 | sing | 1.34Å | 1.42Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| O6 | C9 | sing | 1.34Å | 1.26Å | |
| C7 | C8 | sing | 1.53Å | 1.56Å | |
| C08 | C09 | sing | 1.51Å | 1.54Å | |
| O8 | C13 | doub | 1.21Å | 1.26Å | |
| C09 | N10 | sing | 1.35Å | 1.46Å | |
| C09 | O42 | doub | 1.21Å | 1.19Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| N10 | C11 | sing | 1.46Å | 1.47Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C12 | N13 | sing | 1.47Å | 1.47Å | |
| N13 | C14 | sing | 1.35Å | 1.47Å | |
| C14 | O15 | doub | 1.21Å | 1.18Å | |
| C14 | C41 | sing | 1.51Å | 1.56Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C6 | H43 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| N10 | H103 | sing | 0.97Å | 1.00Å | |
| N13 | H131 | sing | 0.97Å | 1.00Å | |
| O07 | H071 | sing | 0.97Å | 0.95Å | |
| O2 | H3 | sing | 0.97Å | 0.95Å | |
| O3 | H5 | sing | 0.97Å | 0.95Å | |
| O6 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | O2 | 126.9° | 120.0° |
| C02 | C01 | O7 | 126.9° | 120.1° |
| C01 | C02 | N2 | 112.1° | 109.4° |
| C01 | C02 | H021 | 108.8° | 109.5° |
| C01 | C02 | H022 | 108.8° | 109.5° |
| O2 | C01 | O7 | 106.2° | 119.9° |
| C01 | O2 | H3 | 109.5° | 117.0° |
| N1 | C1 | C2 | 109.2° | 109.5° |
| C1 | N1 | C8 | 109.8° | 111.0° |
| C1 | N1 | C10 | 102.2° | 111.0° |
| N1 | C1 | H11 | 109.5° | 109.5° |
| N1 | C1 | H12 | 109.5° | 109.4° |
| C1 | C2 | N2 | 110.3° | 109.5° |
| C1 | C2 | H22 | 109.2° | 109.5° |
| C1 | C2 | H23 | 109.3° | 109.5° |
| C2 | C1 | H11 | 109.6° | 109.5° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C8 | N1 | C10 | 104.0° | 111.0° |
| N1 | C8 | C7 | 111.0° | 109.5° |
| N1 | C8 | H81 | 109.1° | 109.5° |
| N1 | C8 | H82 | 109.1° | 109.4° |
| N1 | C10 | C9 | 105.8° | 109.5° |
| N1 | C10 | H101 | 110.4° | 109.5° |
| N1 | C10 | H102 | 110.4° | 109.4° |
| O01 | C9 | O6 | 105.6° | 120.0° |
| O01 | C9 | C10 | 124.2° | 120.0° |
| C02 | N2 | C2 | 104.6° | 111.0° |
| C02 | N2 | C3 | 102.9° | 111.0° |
| N2 | C02 | H021 | 108.8° | 109.5° |
| N2 | C02 | H022 | 108.8° | 109.4° |
| C2 | N2 | C3 | 103.1° | 111.0° |
| N2 | C2 | H22 | 109.3° | 109.5° |
| N2 | C2 | H23 | 109.3° | 109.4° |
| N2 | C3 | C4 | 110.0° | 109.5° |
| N2 | C3 | H31 | 109.3° | 109.4° |
| N2 | C3 | H32 | 109.3° | 109.5° |
| N3 | C03 | C13 | 108.2° | 109.4° |
| C03 | N3 | C4 | 108.4° | 111.0° |
| C03 | N3 | C5 | 106.4° | 111.0° |
| N3 | C03 | H031 | 109.8° | 109.5° |
| N3 | C03 | H032 | 109.8° | 109.5° |
| C03 | C13 | O3 | 126.0° | 120.0° |
| C03 | C13 | O8 | 128.7° | 120.0° |
| C13 | C03 | H031 | 109.8° | 109.5° |
| C13 | C03 | H032 | 109.8° | 109.5° |
| C3 | C4 | N3 | 110.6° | 109.4° |
| C3 | C4 | H41 | 109.2° | 109.4° |
| C3 | C4 | H42 | 109.2° | 109.4° |
| C4 | C3 | H31 | 109.3° | 109.5° |
| C4 | C3 | H32 | 109.3° | 109.5° |
| C4 | N3 | C5 | 108.4° | 111.0° |
| N3 | C4 | H41 | 109.2° | 109.5° |
| N3 | C4 | H42 | 109.2° | 109.5° |
| N3 | C5 | C6 | 110.3° | 109.4° |
| N3 | C5 | H51 | 109.3° | 109.5° |
| N3 | C5 | H52 | 109.3° | 109.5° |
| O3 | C13 | O8 | 105.3° | 120.0° |
| C13 | O3 | H5 | 109.5° | 117.1° |
| C05 | C04 | C08 | 100.6° | 109.5° |
| C04 | C05 | O06 | 119.2° | 120.0° |
| C04 | C05 | O07 | 115.1° | 120.0° |
| C05 | C04 | H041 | 111.6° | 109.5° |
| C05 | C04 | H042 | 111.7° | 109.5° |
| C04 | C08 | C09 | 111.8° | 109.5° |
| C08 | C04 | H041 | 111.7° | 109.5° |
| C08 | C04 | H042 | 111.6° | 109.4° |
| C04 | C08 | H081 | 108.9° | 109.5° |
| C04 | C08 | H082 | 108.9° | 109.5° |
| C6 | N4 | C7 | 107.0° | 111.0° |
| C6 | N4 | C41 | 111.4° | 111.1° |
| N4 | C6 | C5 | 110.3° | 109.4° |
| N4 | C6 | H43 | 109.3° | 109.5° |
| N4 | C6 | H61 | 109.3° | 109.5° |
| C7 | N4 | C41 | 108.0° | 111.0° |
| N4 | C7 | C8 | 108.2° | 109.5° |
| N4 | C7 | H71 | 109.8° | 109.5° |
| N4 | C7 | H72 | 109.8° | 109.5° |
| N4 | C41 | C14 | 112.8° | 109.5° |
| N4 | C41 | H411 | 108.6° | 109.4° |
| N4 | C41 | H412 | 108.6° | 109.5° |
| O06 | C05 | O07 | 111.5° | 120.0° |
| C05 | O07 | H071 | 109.5° | 117.0° |
| C6 | C5 | H51 | 109.2° | 109.5° |
| C6 | C5 | H52 | 109.3° | 109.5° |
| C5 | C6 | H43 | 109.3° | 109.4° |
| C5 | C6 | H61 | 109.2° | 109.5° |
| O6 | C9 | C10 | 130.2° | 120.0° |
| C9 | O6 | H7 | 109.5° | 117.0° |
| C7 | C8 | H81 | 109.1° | 109.5° |
| C7 | C8 | H82 | 109.1° | 109.5° |
| C8 | C7 | H71 | 109.8° | 109.5° |
| C8 | C7 | H72 | 109.8° | 109.4° |
| C08 | C09 | N10 | 120.8° | 120.0° |
| C08 | C09 | O42 | 119.8° | 120.0° |
| C09 | C08 | H081 | 108.9° | 109.5° |
| C09 | C08 | H082 | 108.9° | 109.4° |
| N10 | C09 | O42 | 119.4° | 120.0° |
| C09 | N10 | C11 | 120.1° | 120.0° |
| C09 | N10 | H103 | 120.0° | 120.0° |
| C9 | C10 | H101 | 110.4° | 109.5° |
| C9 | C10 | H102 | 110.4° | 109.5° |
| N10 | C11 | C12 | 109.5° | 109.4° |
| N10 | C11 | H111 | 109.5° | 109.5° |
| N10 | C11 | H112 | 109.4° | 109.5° |
| C11 | N10 | H103 | 120.0° | 120.0° |
| C11 | C12 | N13 | 107.8° | 109.4° |
| C12 | C11 | H111 | 109.4° | 109.5° |
| C12 | C11 | H112 | 109.5° | 109.5° |
| C11 | C12 | H121 | 109.9° | 109.5° |
| C11 | C12 | H122 | 109.9° | 109.5° |
| C12 | N13 | C14 | 119.6° | 120.0° |
| N13 | C12 | H121 | 109.9° | 109.5° |
| N13 | C12 | H122 | 109.9° | 109.4° |
| C12 | N13 | H131 | 120.2° | 120.0° |
| N13 | C14 | O15 | 118.0° | 120.0° |
| N13 | C14 | C41 | 120.5° | 120.0° |
| C14 | N13 | H131 | 120.2° | 120.0° |
| O15 | C14 | C41 | 121.5° | 120.0° |
| C14 | C41 | H411 | 108.7° | 109.5° |
| C14 | C41 | H412 | 108.7° | 109.5° |
| H81 | C8 | H82 | 109.5° | 109.5° |
| H51 | C5 | H52 | 109.5° | 109.5° |
| H43 | C6 | H61 | 109.5° | 109.5° |
| H22 | C2 | H23 | 109.5° | 109.4° |
| H41 | C4 | H42 | 109.5° | 109.5° |
| H021 | C02 | H022 | 109.5° | 109.5° |
| H031 | C03 | H032 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.4° | 109.4° |
| H111 | C11 | H112 | 109.5° | 109.4° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H31 | C3 | H32 | 109.5° | 109.5° |
| H411 | C41 | H412 | 109.4° | 109.4° |
| H71 | C7 | H72 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | O2 | O7 | 179.4° | 179.9° |
| C01 | C02 | N2 | H021 | 120.4° | 120.0° |
| C01 | C02 | N2 | H022 | 120.4° | 120.0° |
| C01 | C02 | N2 | C2 | 88.4° | 70.2° |
| C01 | C02 | N2 | C3 | 164.2° | 165.8° |
| C01 | C02 | H021 | H022 | 118.8° | 120.1° |
| C02 | C01 | O2 | H3 | 179.4° | 180.0° |
| O2 | C01 | C02 | N2 | 59.4° | 180.0° |
| O2 | C01 | C02 | H021 | 179.8° | 60.0° |
| O2 | C01 | C02 | H022 | 61.0° | 60.1° |
| O7 | C01 | C02 | N2 | 119.8° | 0.0° |
| O7 | C01 | C02 | H021 | 0.6° | 120.0° |
| O7 | C01 | C02 | H022 | 119.8° | 120.0° |
| O7 | C01 | O2 | H3 | 0.0° | 0.1° |
| N1 | C1 | C2 | H11 | 120.0° | 120.0° |
| N1 | C1 | C2 | H12 | 119.9° | 119.9° |
| C1 | N1 | C8 | C10 | 108.8° | 123.9° |
| N1 | C1 | C2 | N2 | 45.7° | 123.8° |
| C1 | N1 | C8 | C7 | 59.1° | 126.9° |
| C1 | N1 | C10 | C9 | 141.5° | 66.1° |
| C1 | N1 | C8 | H81 | 179.3° | 113.0° |
| C1 | N1 | C8 | H82 | 61.1° | 7.0° |
| N1 | C1 | C2 | H22 | 165.8° | 116.1° |
| N1 | C1 | C2 | H23 | 74.4° | 3.8° |
| N1 | C1 | H11 | H12 | 120.1° | 119.9° |
| C1 | N1 | C10 | H101 | 22.1° | 54.0° |
| C1 | N1 | C10 | H102 | 99.1° | 173.9° |
| C2 | C1 | N1 | C8 | 162.4° | 128.2° |
| C2 | C1 | N1 | C10 | 87.6° | 107.8° |
| C1 | C2 | N2 | C02 | 147.6° | 3.6° |
| C1 | C2 | N2 | H22 | 120.1° | 120.1° |
| C1 | C2 | N2 | H23 | 120.1° | 120.0° |
| C1 | C2 | N2 | C3 | 105.1° | 127.5° |
| C1 | C2 | H22 | H23 | 119.6° | 120.0° |
| C2 | C1 | H11 | H12 | 120.1° | 120.0° |
| N1 | C8 | C7 | N4 | 68.8° | 123.0° |
| N1 | C8 | C7 | H81 | 120.3° | 120.0° |
| N1 | C8 | C7 | H82 | 120.2° | 120.0° |
| C8 | N1 | C10 | C9 | 104.1° | 170.0° |
| N1 | C8 | H81 | H82 | 119.3° | 120.0° |
| C8 | N1 | C1 | H11 | 42.5° | 8.2° |
| C8 | N1 | C1 | H12 | 77.6° | 111.8° |
| C8 | N1 | C10 | H101 | 136.4° | 70.0° |
| C8 | N1 | C10 | H102 | 15.3° | 50.0° |
| N1 | C8 | C7 | H71 | 51.0° | 3.1° |
| N1 | C8 | C7 | H72 | 171.3° | 116.9° |
| N1 | C10 | C9 | O01 | 11.9° | 0.0° |
| N1 | C10 | C9 | O6 | 169.1° | 180.0° |
| C10 | N1 | C8 | C7 | 167.9° | 109.1° |
| N1 | C10 | C9 | H101 | 119.4° | 120.1° |
| N1 | C10 | C9 | H102 | 119.4° | 119.9° |
| C10 | N1 | C8 | H81 | 71.9° | 10.9° |
| C10 | N1 | C8 | H82 | 47.7° | 130.9° |
| C10 | N1 | C1 | H11 | 152.4° | 132.1° |
| C10 | N1 | C1 | H12 | 32.4° | 12.1° |
| N1 | C10 | H101 | H102 | 121.7° | 119.9° |
| O01 | C9 | O6 | C10 | 179.1° | 180.0° |
| O01 | C9 | C10 | H101 | 107.5° | 120.0° |
| O01 | C9 | C10 | H102 | 131.4° | 120.0° |
| O01 | C9 | O6 | H7 | 0.0° | 0.0° |
| C02 | N2 | C2 | C3 | 107.3° | 123.9° |
| C02 | N2 | C3 | C4 | 147.7° | 3.8° |
| C02 | N2 | C2 | H22 | 92.3° | 123.6° |
| C02 | N2 | C2 | H23 | 27.4° | 116.4° |
| N2 | C02 | H021 | H022 | 118.8° | 120.0° |
| C02 | N2 | C3 | H31 | 92.2° | 116.2° |
| C02 | N2 | C3 | H32 | 27.6° | 123.7° |
| C2 | N2 | C3 | C4 | 103.8° | 127.7° |
| N2 | C2 | H22 | H23 | 119.6° | 119.9° |
| C2 | N2 | C02 | H021 | 32.1° | 49.8° |
| C2 | N2 | C02 | H022 | 151.3° | 169.7° |
| N2 | C2 | C1 | H11 | 74.2° | 3.8° |
| N2 | C2 | C1 | H12 | 165.7° | 116.3° |
| C2 | N2 | C3 | H31 | 16.3° | 7.7° |
| C2 | N2 | C3 | H32 | 136.2° | 112.3° |
| N2 | C3 | C4 | H31 | 120.1° | 120.0° |
| N2 | C3 | C4 | H32 | 120.1° | 120.0° |
| N2 | C3 | C4 | N3 | 57.4° | 123.7° |
| C3 | N2 | C2 | H22 | 15.0° | 112.4° |
| C3 | N2 | C2 | H23 | 134.8° | 7.5° |
| N2 | C3 | C4 | H41 | 62.8° | 116.3° |
| N2 | C3 | C4 | H42 | 177.6° | 3.7° |
| C3 | N2 | C02 | H021 | 75.4° | 74.2° |
| C3 | N2 | C02 | H022 | 43.8° | 45.8° |
| N2 | C3 | H31 | H32 | 119.7° | 120.0° |
| N3 | C03 | C13 | H031 | 119.8° | 120.0° |
| N3 | C03 | C13 | H032 | 119.8° | 120.0° |
| C03 | N3 | C4 | C3 | 75.6° | 107.9° |
| C03 | N3 | C4 | C5 | 115.1° | 123.9° |
| N3 | C03 | C13 | O3 | 16.6° | 180.0° |
| C03 | N3 | C5 | C6 | 172.0° | 108.5° |
| N3 | C03 | C13 | O8 | 162.8° | 0.0° |
| C03 | N3 | C5 | H51 | 51.9° | 11.5° |
| C03 | N3 | C5 | H52 | 67.9° | 131.6° |
| C03 | N3 | C4 | H41 | 164.2° | 12.1° |
| C03 | N3 | C4 | H42 | 44.6° | 132.2° |
| N3 | C03 | H031 | H032 | 120.6° | 120.0° |
| C13 | C03 | N3 | C4 | 106.4° | 66.1° |
| C13 | C03 | N3 | C5 | 137.2° | 170.0° |
| C03 | C13 | O3 | O8 | 179.6° | 180.0° |
| C13 | C03 | H031 | H032 | 120.6° | 120.0° |
| C03 | C13 | O3 | H5 | 179.6° | 180.0° |
| C3 | C4 | N3 | H41 | 120.2° | 120.0° |
| C3 | C4 | N3 | H42 | 120.2° | 120.0° |
| C3 | C4 | N3 | C5 | 169.3° | 128.3° |
| C3 | C4 | H41 | H42 | 119.5° | 120.0° |
| C4 | C3 | H31 | H32 | 119.8° | 120.0° |
| C4 | N3 | C5 | C6 | 55.6° | 127.7° |
| C4 | N3 | C5 | H51 | 64.5° | 112.4° |
| C4 | N3 | C5 | H52 | 175.7° | 7.7° |
| N3 | C4 | H41 | H42 | 119.5° | 120.1° |
| C4 | N3 | C03 | H031 | 133.8° | 173.9° |
| C4 | N3 | C03 | H032 | 13.4° | 53.9° |
| N3 | C4 | C3 | H31 | 177.5° | 3.7° |
| N3 | C4 | C3 | H32 | 62.7° | 116.4° |
| N3 | C5 | C6 | N4 | 61.3° | 122.6° |
| N3 | C5 | C6 | H51 | 120.1° | 120.0° |
| N3 | C5 | C6 | H52 | 120.1° | 120.0° |
| N3 | C5 | H51 | H52 | 119.6° | 120.1° |
| N3 | C5 | C6 | H43 | 178.5° | 117.5° |
| N3 | C5 | C6 | H61 | 58.8° | 2.5° |
| C5 | N3 | C4 | H41 | 49.1° | 111.8° |
| C5 | N3 | C4 | H42 | 70.5° | 8.3° |
| C5 | N3 | C03 | H031 | 17.4° | 50.0° |
| C5 | N3 | C03 | H032 | 103.0° | 70.0° |
| O3 | C13 | C03 | H031 | 103.2° | 60.0° |
| O3 | C13 | C03 | H032 | 136.4° | 60.0° |
| C05 | C04 | C08 | H041 | 118.6° | 120.0° |
| C05 | C04 | C08 | H042 | 118.6° | 120.0° |
| C04 | C05 | O06 | O07 | 137.9° | 180.0° |
| C05 | C04 | C08 | C09 | 121.3° | 180.0° |
| C05 | C04 | H041 | H042 | 124.1° | 120.1° |
| C05 | C04 | C08 | H081 | 118.4° | 60.0° |
| C05 | C04 | C08 | H082 | 0.9° | 60.0° |
| C04 | C05 | O07 | H071 | 139.7° | 180.0° |
| C08 | C04 | C05 | O06 | 70.5° | 0.0° |
| C08 | C04 | C05 | O07 | 153.0° | 180.0° |
| C04 | C08 | C09 | H081 | 120.3° | 120.0° |
| C04 | C08 | C09 | H082 | 120.3° | 120.0° |
| C04 | C08 | C09 | N10 | 98.6° | 180.0° |
| C04 | C08 | C09 | O42 | 82.9° | 0.1° |
| C08 | C04 | H041 | H042 | 124.1° | 120.0° |
| C04 | C08 | H081 | H082 | 118.9° | 120.0° |
| C6 | N4 | C7 | C41 | 120.1° | 124.0° |
| N4 | C6 | C5 | H43 | 120.1° | 120.0° |
| N4 | C6 | C5 | H61 | 120.1° | 120.0° |
| C6 | N4 | C7 | C8 | 155.1° | 129.0° |
| C6 | N4 | C41 | C14 | 88.1° | 69.7° |
| N4 | C6 | C5 | H51 | 178.6° | 117.4° |
| N4 | C6 | C5 | H52 | 58.8° | 2.6° |
| N4 | C6 | H43 | H61 | 119.7° | 120.0° |
| C6 | N4 | C41 | H411 | 151.4° | 50.3° |
| C6 | N4 | C41 | H412 | 32.5° | 170.2° |
| C6 | N4 | C7 | H71 | 35.3° | 9.0° |
| C6 | N4 | C7 | H72 | 85.1° | 111.1° |
| C7 | N4 | C6 | C5 | 149.9° | 128.2° |
| N4 | C7 | C8 | H71 | 119.8° | 120.0° |
| N4 | C7 | C8 | H72 | 119.8° | 120.0° |
| C7 | N4 | C41 | C14 | 154.7° | 166.3° |
| N4 | C7 | C8 | H81 | 51.4° | 116.9° |
| N4 | C7 | C8 | H82 | 170.9° | 3.1° |
| C7 | N4 | C6 | H43 | 90.0° | 111.9° |
| C7 | N4 | C6 | H61 | 29.8° | 8.1° |
| C7 | N4 | C41 | H411 | 34.2° | 73.7° |
| C7 | N4 | C41 | H412 | 84.8° | 46.2° |
| N4 | C7 | H71 | H72 | 120.6° | 120.0° |
| C41 | N4 | C6 | C5 | 92.3° | 4.2° |
| C41 | N4 | C7 | C8 | 84.8° | 5.0° |
| N4 | C41 | C14 | N13 | 151.9° | 180.0° |
| N4 | C41 | C14 | O15 | 27.9° | 0.0° |
| N4 | C41 | C14 | H411 | 120.5° | 120.0° |
| N4 | C41 | C14 | H412 | 120.5° | 120.1° |
| C41 | N4 | C6 | H43 | 27.8° | 124.1° |
| C41 | N4 | C6 | H61 | 147.6° | 115.9° |
| N4 | C41 | H411 | H412 | 118.5° | 120.0° |
| C41 | N4 | C7 | H71 | 155.4° | 115.0° |
| C41 | N4 | C7 | H72 | 35.0° | 124.9° |
| O06 | C05 | C04 | H041 | 170.9° | 120.0° |
| O06 | C05 | C04 | H042 | 48.0° | 120.0° |
| O06 | C05 | O07 | H071 | 0.0° | 0.0° |
| O07 | C05 | C04 | H041 | 34.4° | 60.0° |
| O07 | C05 | C04 | H042 | 88.5° | 60.1° |
| C6 | C5 | H51 | H52 | 119.6° | 120.0° |
| C5 | C6 | H43 | H61 | 119.6° | 120.1° |
| O6 | C9 | C10 | H101 | 71.5° | 60.0° |
| O6 | C9 | C10 | H102 | 49.6° | 60.0° |
| C7 | C8 | H81 | H82 | 119.3° | 120.0° |
| C8 | C7 | H71 | H72 | 120.6° | 119.9° |
| C08 | C09 | N10 | O42 | 178.5° | 179.9° |
| C08 | C09 | N10 | C11 | 1.2° | 180.0° |
| C09 | C08 | C04 | H041 | 2.7° | 60.0° |
| C09 | C08 | C04 | H042 | 120.2° | 60.0° |
| C09 | C08 | H081 | H082 | 118.9° | 120.0° |
| C08 | C09 | N10 | H103 | 178.8° | 0.1° |
| O8 | C13 | C03 | H031 | 77.4° | 120.0° |
| O8 | C13 | C03 | H032 | 43.0° | 120.0° |
| O8 | C13 | O3 | H5 | 0.0° | 0.0° |
| C09 | N10 | C11 | H103 | 180.0° | 179.9° |
| C09 | N10 | C11 | C12 | 91.5° | 180.0° |
| N10 | C09 | C08 | H081 | 141.1° | 60.0° |
| N10 | C09 | C08 | H082 | 21.7° | 60.0° |
| C09 | N10 | C11 | H111 | 148.5° | 60.0° |
| C09 | N10 | C11 | H112 | 28.5° | 60.0° |
| O42 | C09 | N10 | C11 | 179.7° | 0.0° |
| O42 | C09 | C08 | H081 | 37.4° | 120.0° |
| O42 | C09 | C08 | H082 | 156.8° | 120.0° |
| O42 | C09 | N10 | H103 | 0.3° | 180.0° |
| C9 | C10 | H101 | H102 | 121.7° | 120.0° |
| C10 | C9 | O6 | H7 | 179.2° | 179.9° |
| N10 | C11 | C12 | H111 | 120.0° | 120.0° |
| N10 | C11 | C12 | H112 | 120.0° | 120.0° |
| N10 | C11 | C12 | N13 | 82.7° | 180.0° |
| N10 | C11 | H111 | H112 | 120.0° | 120.0° |
| N10 | C11 | C12 | H121 | 157.6° | 60.0° |
| N10 | C11 | C12 | H122 | 37.0° | 60.0° |
| C11 | C12 | N13 | H121 | 119.7° | 120.0° |
| C11 | C12 | N13 | H122 | 119.7° | 120.0° |
| C11 | C12 | N13 | C14 | 103.8° | 180.0° |
| C12 | C11 | H111 | H112 | 120.0° | 120.0° |
| C11 | C12 | H121 | H122 | 120.7° | 120.0° |
| C12 | C11 | N10 | H103 | 88.5° | 0.0° |
| C11 | C12 | N13 | H131 | 76.2° | 0.0° |
| C12 | N13 | C14 | H131 | 180.0° | 180.0° |
| C12 | N13 | C14 | O15 | 179.4° | 0.0° |
| C12 | N13 | C14 | C41 | 0.7° | 180.0° |
| N13 | C12 | C11 | H111 | 37.3° | 60.0° |
| N13 | C12 | C11 | H112 | 157.3° | 60.0° |
| N13 | C12 | H121 | H122 | 120.8° | 120.0° |
| N13 | C14 | O15 | C41 | 179.8° | 180.0° |
| C14 | N13 | C12 | H121 | 136.4° | 60.0° |
| C14 | N13 | C12 | H122 | 15.9° | 60.0° |
| N13 | C14 | C41 | H411 | 87.6° | 60.0° |
| N13 | C14 | C41 | H412 | 31.4° | 60.0° |
| O15 | C14 | C41 | H411 | 92.6° | 120.0° |
| O15 | C14 | C41 | H412 | 148.4° | 120.0° |
| O15 | C14 | N13 | H131 | 0.6° | 180.0° |
| C14 | C41 | H411 | H412 | 118.5° | 120.0° |
| C41 | C14 | N13 | H131 | 179.3° | 0.0° |
| H81 | C8 | C7 | H71 | 171.2° | 123.1° |
| H81 | C8 | C7 | H72 | 68.4° | 3.1° |
| H82 | C8 | C7 | H71 | 69.2° | 116.9° |
| H82 | C8 | C7 | H72 | 51.1° | 123.1° |
| H51 | C5 | C6 | H43 | 58.4° | 2.5° |
| H51 | C5 | C6 | H61 | 61.3° | 122.6° |
| H52 | C5 | C6 | H43 | 61.3° | 122.5° |
| H52 | C5 | C6 | H61 | 179.0° | 117.4° |
| H22 | C2 | C1 | H11 | 45.9° | 123.9° |
| H22 | C2 | C1 | H12 | 74.2° | 3.8° |
| H23 | C2 | C1 | H11 | 165.6° | 116.2° |
| H23 | C2 | C1 | H12 | 45.5° | 123.7° |
| H41 | C4 | C3 | H31 | 57.3° | 123.7° |
| H41 | C4 | C3 | H32 | 177.2° | 3.7° |
| H42 | C4 | C3 | H31 | 62.4° | 116.3° |
| H42 | C4 | C3 | H32 | 57.5° | 123.7° |
| H041 | C04 | C08 | H081 | 123.1° | 180.0° |
| H041 | C04 | C08 | H082 | 117.6° | 60.0° |
| H042 | C04 | C08 | H081 | 0.2° | 60.0° |
| H042 | C04 | C08 | H082 | 119.5° | 180.0° |
| H111 | C11 | C12 | H121 | 82.4° | 60.0° |
| H111 | C11 | C12 | H122 | 157.1° | 179.9° |
| H111 | C11 | N10 | H103 | 31.5° | 120.0° |
| H112 | C11 | C12 | H121 | 37.6° | 180.0° |
| H112 | C11 | C12 | H122 | 83.0° | 59.9° |
| H112 | C11 | N10 | H103 | 151.5° | 120.0° |
| H121 | C12 | N13 | H131 | 43.5° | 120.0° |
| H122 | C12 | N13 | H131 | 164.1° | 120.0° |
