A1JSG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C02 | C68 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C02 | C04 | sing | 1.53Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| C05 | N06 | sing | 1.47Å | 1.51Å | |
| N06 | C07 | sing | 1.47Å | 1.53Å | |
| N06 | C67 | sing | 1.47Å | 1.52Å | |
| C07 | C08 | sing | 1.51Å | 1.54Å | |
| C08 | C09 | doub | 1.38Å | 1.43Å | Aromatic |
| C08 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | F10 | sing | 1.35Å | 1.30Å | |
| C09 | C11 | sing | 1.38Å | 1.42Å | Aromatic |
| C11 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.43Å | Aromatic |
| C13 | F14 | sing | 1.35Å | 1.31Å | |
| C13 | C15 | sing | 1.39Å | 1.43Å | Aromatic |
| C15 | N16 | sing | 1.40Å | 1.41Å | |
| N16 | C17 | sing | 1.47Å | 1.46Å | |
| N16 | C64 | sing | 1.47Å | 1.48Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.53Å | 1.49Å | |
| C18 | C21 | sing | 1.53Å | 1.53Å | |
| C18 | N63 | sing | 1.46Å | 1.44Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C20 | N23 | sing | 1.47Å | 1.50Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | N23 | sing | 1.47Å | 1.47Å | |
| N23 | C24 | sing | 1.39Å | 1.44Å | |
| C24 | C62 | doub | 1.39Å | 1.42Å | Aromatic |
| C24 | N25 | sing | 1.33Å | 1.37Å | Aromatic |
| N25 | C26 | doub | 1.32Å | 1.35Å | Aromatic |
| C26 | N27 | sing | 1.32Å | 1.35Å | Aromatic |
| N27 | C28 | doub | 1.33Å | 1.38Å | Aromatic |
| C28 | N29 | sing | 1.39Å | 1.44Å | |
| C28 | C62 | sing | 1.39Å | 1.45Å | Aromatic |
| N29 | C30 | sing | 1.46Å | 1.51Å | |
| C30 | C31 | sing | 1.53Å | 1.59Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C31 | C34 | sing | 1.53Å | 1.55Å | |
| C32 | C33 | sing | 1.53Å | 1.56Å | |
| C33 | N36 | sing | 1.47Å | 1.50Å | |
| C34 | C35 | sing | 1.53Å | 1.57Å | |
| C35 | N36 | sing | 1.47Å | 1.49Å | |
| N36 | C37 | sing | 1.35Å | 1.50Å | |
| C37 | C38 | sing | 1.51Å | 1.60Å | |
| C37 | O61 | doub | 1.21Å | 1.23Å | |
| C38 | C39 | sing | 1.53Å | 1.63Å | |
| N63 | C65 | sing | 1.34Å | 1.39Å | |
| C64 | C65 | sing | 1.50Å | 1.54Å | |
| C65 | O66 | doub | 1.21Å | 1.22Å | |
| C67 | C68 | sing | 1.53Å | 1.52Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H2 | sing | 1.09Å | 1.10Å | |
| C62 | H621 | sing | 1.08Å | 1.08Å | |
| C64 | H641 | sing | 1.09Å | 1.10Å | |
| C64 | H642 | sing | 1.09Å | 1.10Å | |
| C67 | H671 | sing | 1.09Å | 1.10Å | |
| C67 | H672 | sing | 1.09Å | 1.10Å | |
| C68 | H681 | sing | 1.09Å | 1.10Å | |
| C68 | H682 | sing | 1.09Å | 1.10Å | |
| N29 | H291 | sing | 0.97Å | 1.00Å | |
| N63 | H631 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C68 | 108.2° | 109.5° |
| C01 | C02 | C03 | 111.4° | 109.5° |
| C01 | C02 | C04 | 108.7° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.4° |
| C02 | C01 | H013 | 109.4° | 109.4° |
| C68 | C02 | C03 | 108.1° | 109.6° |
| C68 | C02 | C04 | 111.1° | 109.1° |
| C02 | C68 | C67 | 114.0° | 109.3° |
| C02 | C68 | H681 | 108.4° | 109.4° |
| C02 | C68 | H682 | 108.3° | 109.5° |
| C03 | C02 | C04 | 109.3° | 109.6° |
| C02 | C03 | H031 | 109.5° | 109.5° |
| C02 | C03 | H032 | 109.5° | 109.5° |
| C02 | C03 | H033 | 109.5° | 109.5° |
| C02 | C04 | C05 | 112.2° | 109.3° |
| C02 | C04 | H041 | 108.8° | 109.6° |
| C02 | C04 | H042 | 108.8° | 109.5° |
| C04 | C05 | N06 | 109.8° | 109.5° |
| C05 | C04 | H041 | 108.8° | 109.5° |
| C05 | C04 | H042 | 108.8° | 109.5° |
| C04 | C05 | H051 | 109.4° | 109.5° |
| C04 | C05 | H052 | 109.4° | 109.5° |
| C05 | N06 | C07 | 111.4° | 111.0° |
| C05 | N06 | C67 | 109.2° | 111.2° |
| N06 | C05 | H051 | 109.4° | 109.5° |
| N06 | C05 | H052 | 109.4° | 109.5° |
| C07 | N06 | C67 | 108.1° | 111.0° |
| N06 | C07 | C08 | 109.2° | 109.5° |
| N06 | C07 | H071 | 109.5° | 109.5° |
| N06 | C07 | H072 | 109.5° | 109.5° |
| N06 | C67 | C68 | 114.4° | 109.5° |
| N06 | C67 | H671 | 108.3° | 109.4° |
| N06 | C67 | H672 | 108.2° | 109.5° |
| C07 | C08 | C09 | 122.9° | 119.9° |
| C07 | C08 | C12 | 123.9° | 119.9° |
| C08 | C07 | H071 | 109.5° | 109.5° |
| C08 | C07 | H072 | 109.5° | 109.4° |
| C09 | C08 | C12 | 113.1° | 120.1° |
| C08 | C09 | F10 | 119.4° | 120.0° |
| C08 | C09 | C11 | 123.6° | 120.1° |
| C08 | C12 | C13 | 123.4° | 120.1° |
| C08 | C12 | H121 | 118.3° | 120.0° |
| F10 | C09 | C11 | 117.0° | 120.0° |
| C09 | C11 | C15 | 123.6° | 120.0° |
| C09 | C11 | H111 | 118.2° | 120.1° |
| C11 | C15 | C13 | 113.3° | 119.8° |
| C11 | C15 | N16 | 123.8° | 120.1° |
| C15 | C11 | H111 | 118.2° | 120.0° |
| C12 | C13 | F14 | 117.1° | 120.0° |
| C12 | C13 | C15 | 123.0° | 120.0° |
| C13 | C12 | H121 | 118.3° | 120.0° |
| F14 | C13 | C15 | 119.9° | 120.0° |
| C13 | C15 | N16 | 122.9° | 120.1° |
| C15 | N16 | C17 | 123.2° | 111.0° |
| C15 | N16 | C64 | 121.5° | 111.0° |
| C17 | N16 | C64 | 109.2° | 110.2° |
| N16 | C17 | C18 | 117.3° | 108.7° |
| N16 | C17 | H171 | 107.5° | 109.6° |
| N16 | C17 | H172 | 107.5° | 109.7° |
| N16 | C64 | C65 | 117.6° | 110.0° |
| N16 | C64 | H641 | 107.4° | 109.4° |
| N16 | C64 | H642 | 107.4° | 109.3° |
| C17 | C18 | C19 | 125.2° | 109.4° |
| C17 | C18 | C21 | 109.8° | 109.4° |
| C17 | C18 | N63 | 107.5° | 110.0° |
| C18 | C17 | H171 | 107.5° | 109.6° |
| C18 | C17 | H172 | 107.5° | 109.6° |
| C19 | C18 | C21 | 109.7° | 109.0° |
| C19 | C18 | N63 | 101.8° | 109.5° |
| C18 | C19 | C20 | 119.7° | 109.3° |
| C18 | C19 | H191 | 106.9° | 109.5° |
| C18 | C19 | H192 | 106.8° | 109.5° |
| C21 | C18 | N63 | 99.5° | 109.6° |
| C18 | C21 | C22 | 118.9° | 109.3° |
| C18 | C21 | H211 | 107.1° | 109.5° |
| C18 | C21 | H212 | 107.1° | 109.5° |
| C18 | N63 | C65 | 125.5° | 123.0° |
| C18 | N63 | H631 | 117.2° | 118.6° |
| C19 | C20 | N23 | 114.0° | 109.5° |
| C19 | C20 | H201 | 108.3° | 109.5° |
| C19 | C20 | H202 | 108.4° | 109.5° |
| C20 | C19 | H191 | 106.9° | 109.5° |
| C20 | C19 | H192 | 106.9° | 109.5° |
| C20 | N23 | C22 | 106.3° | 111.2° |
| C20 | N23 | C24 | 120.6° | 111.0° |
| N23 | C20 | H201 | 108.3° | 109.5° |
| N23 | C20 | H202 | 108.3° | 109.5° |
| C21 | C22 | N23 | 109.4° | 109.5° |
| C22 | C21 | H211 | 107.1° | 109.5° |
| C22 | C21 | H212 | 107.1° | 109.5° |
| C21 | C22 | H221 | 109.5° | 109.5° |
| C21 | C22 | H222 | 109.5° | 109.5° |
| C22 | N23 | C24 | 122.0° | 111.0° |
| N23 | C22 | H221 | 109.5° | 109.5° |
| N23 | C22 | H222 | 109.5° | 109.5° |
| N23 | C24 | C62 | 123.4° | 120.5° |
| N23 | C24 | N25 | 117.9° | 120.5° |
| C62 | C24 | N25 | 118.7° | 119.1° |
| C24 | C62 | C28 | 121.4° | 118.2° |
| C24 | C62 | H621 | 119.3° | 120.9° |
| C24 | N25 | C26 | 116.8° | 120.8° |
| N25 | C26 | N27 | 128.7° | 121.9° |
| N25 | C26 | H261 | 115.6° | 119.0° |
| C26 | N27 | C28 | 117.4° | 120.9° |
| N27 | C26 | H261 | 115.7° | 119.0° |
| N27 | C28 | N29 | 118.1° | 120.5° |
| N27 | C28 | C62 | 117.0° | 119.0° |
| N29 | C28 | C62 | 124.9° | 120.5° |
| C28 | N29 | C30 | 131.7° | 120.0° |
| C28 | N29 | H291 | 103.7° | 120.0° |
| C28 | C62 | H621 | 119.3° | 120.9° |
| N29 | C30 | C31 | 118.6° | 109.4° |
| N29 | C30 | H301 | 107.2° | 109.5° |
| N29 | C30 | H302 | 107.1° | 109.5° |
| C30 | N29 | H291 | 103.7° | 120.1° |
| C30 | C31 | C32 | 111.0° | 109.4° |
| C30 | C31 | C34 | 117.4° | 109.4° |
| C31 | C30 | H301 | 107.1° | 109.5° |
| C31 | C30 | H302 | 107.1° | 109.5° |
| C30 | C31 | H311 | 107.6° | 109.5° |
| C32 | C31 | C34 | 104.0° | 109.5° |
| C31 | C32 | C33 | 117.6° | 109.3° |
| C32 | C31 | H311 | 108.4° | 109.5° |
| C31 | C32 | H321 | 107.4° | 109.5° |
| C31 | C32 | H322 | 107.4° | 109.5° |
| C31 | C34 | C35 | 121.3° | 109.3° |
| C34 | C31 | H311 | 108.1° | 109.5° |
| C31 | C34 | H341 | 106.5° | 109.5° |
| C31 | C34 | H342 | 106.5° | 109.5° |
| C32 | C33 | N36 | 113.9° | 108.8° |
| C33 | C32 | H321 | 107.4° | 109.5° |
| C33 | C32 | H322 | 107.4° | 109.5° |
| C32 | C33 | H331 | 108.4° | 109.6° |
| C32 | C33 | H332 | 108.4° | 109.6° |
| C33 | N36 | C35 | 107.0° | 118.7° |
| C33 | N36 | C37 | 124.5° | 120.6° |
| N36 | C33 | H331 | 108.3° | 109.5° |
| N36 | C33 | H332 | 108.4° | 109.6° |
| C34 | C35 | N36 | 116.4° | 108.8° |
| C35 | C34 | H341 | 106.5° | 109.5° |
| C35 | C34 | H342 | 106.4° | 109.5° |
| C34 | C35 | H351 | 107.7° | 109.6° |
| C34 | C35 | H352 | 107.7° | 109.6° |
| C35 | N36 | C37 | 128.5° | 120.7° |
| N36 | C35 | H351 | 107.7° | 109.6° |
| N36 | C35 | H352 | 107.7° | 109.6° |
| N36 | C37 | C38 | 128.5° | 120.0° |
| N36 | C37 | O61 | 117.0° | 120.0° |
| C38 | C37 | O61 | 114.5° | 120.0° |
| C37 | C38 | C39 | 117.4° | 109.5° |
| C37 | C38 | H381 | 107.5° | 109.5° |
| C37 | C38 | H382 | 107.5° | 109.5° |
| C39 | C38 | H381 | 107.4° | 109.4° |
| C39 | C38 | H382 | 107.4° | 109.4° |
| C38 | C39 | H391 | 109.5° | 109.5° |
| C38 | C39 | H392 | 109.5° | 109.5° |
| C38 | C39 | H2 | 109.5° | 109.5° |
| N63 | C65 | C64 | 118.6° | 122.7° |
| N63 | C65 | O66 | 118.3° | 118.7° |
| C65 | N63 | H631 | 117.2° | 118.5° |
| C64 | C65 | O66 | 123.1° | 118.6° |
| C65 | C64 | H641 | 107.4° | 109.4° |
| C65 | C64 | H642 | 107.4° | 109.4° |
| C68 | C67 | H671 | 108.2° | 109.5° |
| C68 | C67 | H672 | 108.2° | 109.5° |
| C67 | C68 | H681 | 108.3° | 109.5° |
| C67 | C68 | H682 | 108.4° | 109.6° |
| H171 | C17 | H172 | 109.5° | 109.6° |
| H201 | C20 | H202 | 109.4° | 109.4° |
| H211 | C21 | H212 | 109.4° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.4° |
| H011 | C01 | H012 | 109.4° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H031 | C03 | H032 | 109.5° | 109.5° |
| H031 | C03 | H033 | 109.5° | 109.5° |
| H032 | C03 | H033 | 109.5° | 109.4° |
| H041 | C04 | H042 | 109.5° | 109.5° |
| H051 | C05 | H052 | 109.5° | 109.5° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.4° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H331 | C33 | H332 | 109.4° | 109.7° |
| H341 | C34 | H342 | 109.5° | 109.6° |
| H351 | C35 | H352 | 109.5° | 109.7° |
| H381 | C38 | H382 | 109.5° | 109.5° |
| H391 | C39 | H392 | 109.5° | 109.4° |
| H391 | C39 | H2 | 109.4° | 109.5° |
| H392 | C39 | H2 | 109.5° | 109.4° |
| H641 | C64 | H642 | 109.4° | 109.3° |
| H671 | C67 | H672 | 109.5° | 109.5° |
| H681 | C68 | H682 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C68 | C03 | 120.8° | 120.2° |
| C01 | C02 | C68 | C04 | 119.3° | 119.9° |
| C01 | C02 | C03 | C04 | 120.1° | 120.1° |
| C01 | C02 | C04 | C05 | 67.1° | 62.2° |
| C01 | C02 | C68 | C67 | 74.8° | 62.2° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 119.9° |
| C01 | C02 | C03 | H031 | 180.0° | 60.0° |
| C01 | C02 | C03 | H032 | 60.0° | 180.0° |
| C01 | C02 | C03 | H033 | 60.0° | 60.1° |
| C01 | C02 | C04 | H041 | 172.5° | 177.8° |
| C01 | C02 | C04 | H042 | 53.3° | 57.7° |
| C01 | C02 | C68 | H681 | 45.9° | 57.8° |
| C01 | C02 | C68 | H682 | 164.5° | 177.8° |
| C68 | C02 | C03 | C04 | 121.1° | 119.7° |
| C68 | C02 | C04 | C05 | 51.9° | 57.7° |
| C02 | C68 | C67 | N06 | 47.1° | 59.2° |
| C02 | C68 | C67 | H681 | 120.7° | 119.9° |
| C02 | C68 | C67 | H682 | 120.7° | 119.9° |
| C68 | C02 | C01 | H011 | 180.0° | 60.0° |
| C68 | C02 | C01 | H012 | 60.0° | 180.0° |
| C68 | C02 | C01 | H013 | 60.0° | 60.1° |
| C68 | C02 | C03 | H031 | 61.2° | 179.8° |
| C68 | C02 | C03 | H032 | 58.8° | 59.8° |
| C68 | C02 | C03 | H033 | 178.8° | 60.1° |
| C68 | C02 | C04 | H041 | 68.5° | 62.3° |
| C68 | C02 | C04 | H042 | 172.3° | 177.6° |
| C02 | C68 | C67 | H671 | 167.8° | 60.8° |
| C02 | C68 | C67 | H672 | 73.7° | 179.2° |
| C02 | C68 | H681 | H682 | 117.9° | 120.0° |
| C03 | C02 | C04 | C05 | 171.2° | 177.6° |
| C03 | C02 | C68 | C67 | 164.5° | 177.6° |
| C03 | C02 | C01 | H011 | 61.3° | 179.8° |
| C03 | C02 | C01 | H012 | 58.7° | 59.9° |
| C03 | C02 | C01 | H013 | 178.7° | 60.1° |
| C02 | C03 | H031 | H032 | 120.0° | 120.0° |
| C02 | C03 | H031 | H033 | 120.0° | 120.1° |
| C02 | C03 | H032 | H033 | 120.0° | 120.0° |
| C03 | C02 | C04 | H041 | 50.8° | 57.7° |
| C03 | C02 | C04 | H042 | 68.4° | 62.4° |
| C03 | C02 | C68 | H681 | 74.9° | 62.4° |
| C03 | C02 | C68 | H682 | 43.8° | 57.6° |
| C02 | C04 | C05 | H041 | 120.4° | 120.0° |
| C02 | C04 | C05 | H042 | 120.4° | 120.0° |
| C02 | C04 | C05 | N06 | 61.0° | 59.2° |
| C04 | C02 | C68 | C67 | 44.5° | 57.7° |
| C04 | C02 | C01 | H011 | 59.2° | 59.7° |
| C04 | C02 | C01 | H012 | 179.2° | 60.3° |
| C04 | C02 | C01 | H013 | 60.8° | 179.7° |
| C04 | C02 | C03 | H031 | 59.9° | 60.1° |
| C04 | C02 | C03 | H032 | 179.9° | 59.9° |
| C04 | C02 | C03 | H033 | 60.1° | 179.8° |
| C02 | C04 | H041 | H042 | 118.8° | 120.1° |
| C02 | C04 | C05 | H051 | 178.9° | 179.2° |
| C02 | C04 | C05 | H052 | 59.0° | 60.8° |
| C04 | C02 | C68 | H681 | 165.1° | 177.7° |
| C04 | C02 | C68 | H682 | 76.2° | 62.3° |
| C04 | C05 | N06 | H051 | 120.0° | 120.0° |
| C04 | C05 | N06 | H052 | 120.0° | 120.0° |
| C04 | C05 | N06 | C07 | 179.7° | 174.2° |
| C04 | C05 | N06 | C67 | 60.4° | 61.7° |
| C05 | C04 | H041 | H042 | 118.7° | 120.0° |
| C04 | C05 | H051 | H052 | 119.8° | 120.0° |
| C05 | N06 | C07 | C67 | 120.0° | 124.2° |
| C05 | N06 | C07 | C08 | 178.0° | 170.0° |
| C05 | N06 | C67 | C68 | 54.4° | 61.8° |
| N06 | C05 | C04 | H041 | 59.4° | 60.8° |
| N06 | C05 | C04 | H042 | 178.6° | 179.2° |
| N06 | C05 | H051 | H052 | 119.9° | 120.0° |
| C05 | N06 | C07 | H071 | 58.0° | 70.0° |
| C05 | N06 | C07 | H072 | 62.1° | 50.1° |
| C05 | N06 | C67 | H671 | 175.1° | 58.3° |
| C05 | N06 | C67 | H672 | 66.4° | 178.2° |
| N06 | C07 | C08 | H071 | 120.0° | 120.0° |
| N06 | C07 | C08 | H072 | 120.0° | 120.0° |
| N06 | C07 | C08 | C09 | 97.0° | 80.0° |
| N06 | C07 | C08 | C12 | 81.2° | 100.3° |
| C07 | N06 | C67 | C68 | 175.7° | 174.2° |
| C07 | N06 | C05 | H051 | 60.3° | 54.2° |
| C07 | N06 | C05 | H052 | 59.7° | 65.8° |
| N06 | C07 | H071 | H072 | 120.1° | 120.0° |
| C07 | N06 | C67 | H671 | 63.6° | 65.8° |
| C07 | N06 | C67 | H672 | 55.0° | 54.1° |
| C67 | N06 | C07 | C08 | 62.0° | 65.8° |
| N06 | C67 | C68 | H671 | 120.7° | 120.0° |
| N06 | C67 | C68 | H672 | 120.7° | 120.0° |
| C67 | N06 | C05 | H051 | 179.6° | 178.2° |
| C67 | N06 | C05 | H052 | 59.6° | 58.3° |
| C67 | N06 | C07 | H071 | 178.0° | 54.2° |
| C67 | N06 | C07 | H072 | 57.9° | 174.3° |
| N06 | C67 | H671 | H672 | 117.8° | 120.0° |
| N06 | C67 | C68 | H681 | 167.8° | 179.1° |
| N06 | C67 | C68 | H682 | 73.6° | 60.8° |
| C07 | C08 | C09 | C12 | 178.3° | 179.8° |
| C07 | C08 | C09 | F10 | 0.8° | 0.0° |
| C07 | C08 | C09 | C11 | 178.8° | 180.0° |
| C07 | C08 | C12 | C13 | 178.9° | 179.7° |
| C08 | C07 | H071 | H072 | 120.1° | 120.0° |
| C07 | C08 | C12 | H121 | 1.1° | 0.2° |
| C08 | C09 | F10 | C11 | 179.6° | 180.0° |
| C08 | C09 | C11 | C15 | 0.3° | 0.3° |
| C09 | C08 | C12 | C13 | 0.6° | 0.0° |
| C09 | C08 | C07 | H071 | 143.1° | 160.0° |
| C09 | C08 | C07 | H072 | 23.0° | 40.0° |
| C08 | C09 | C11 | H111 | 179.7° | 179.8° |
| C09 | C08 | C12 | H121 | 179.4° | 180.0° |
| C12 | C08 | C09 | F10 | 179.1° | 179.7° |
| C12 | C08 | C09 | C11 | 0.5° | 0.3° |
| C08 | C12 | C13 | H121 | 180.0° | 180.0° |
| C08 | C12 | C13 | F14 | 179.6° | 179.9° |
| C08 | C12 | C13 | C15 | 0.5° | 0.3° |
| C12 | C08 | C07 | H071 | 38.8° | 19.7° |
| C12 | C08 | C07 | H072 | 158.9° | 139.8° |
| F10 | C09 | C11 | C15 | 179.3° | 179.7° |
| F10 | C09 | C11 | H111 | 0.7° | 0.2° |
| C09 | C11 | C15 | H111 | 180.0° | 179.9° |
| C09 | C11 | C15 | C13 | 0.2° | 0.0° |
| C09 | C11 | C15 | N16 | 179.4° | 180.0° |
| C11 | C15 | C13 | C12 | 0.2° | 0.3° |
| C11 | C15 | C13 | F14 | 179.9° | 179.9° |
| C11 | C15 | C13 | N16 | 179.6° | 180.0° |
| C11 | C15 | N16 | C17 | 129.1° | 60.0° |
| C11 | C15 | N16 | C64 | 20.4° | 62.9° |
| C12 | C13 | F14 | C15 | 179.9° | 179.6° |
| C12 | C13 | C15 | N16 | 179.3° | 179.7° |
| F14 | C13 | C15 | N16 | 0.6° | 0.1° |
| F14 | C13 | C12 | H121 | 0.4° | 0.1° |
| C13 | C15 | N16 | C17 | 50.4° | 120.0° |
| C13 | C15 | N16 | C64 | 160.1° | 117.2° |
| C13 | C15 | C11 | H111 | 179.8° | 179.9° |
| C15 | C13 | C12 | H121 | 179.5° | 179.7° |
| C15 | N16 | C17 | C64 | 152.7° | 123.3° |
| C15 | N16 | C17 | C18 | 150.2° | 167.6° |
| C15 | N16 | C64 | C65 | 176.0° | 173.6° |
| C15 | N16 | C17 | H171 | 88.7° | 47.8° |
| C15 | N16 | C17 | H172 | 29.0° | 72.6° |
| N16 | C15 | C11 | H111 | 0.6° | 0.1° |
| C15 | N16 | C64 | H641 | 54.8° | 53.4° |
| C15 | N16 | C64 | H642 | 62.8° | 66.3° |
| N16 | C17 | C18 | H171 | 121.1° | 119.8° |
| N16 | C17 | C18 | H172 | 121.2° | 119.9° |
| N16 | C17 | C18 | C19 | 171.1° | 170.7° |
| N16 | C17 | C18 | C21 | 55.2° | 69.9° |
| N16 | C17 | C18 | N63 | 52.1° | 50.4° |
| C17 | N16 | C64 | C65 | 30.7° | 50.3° |
| N16 | C17 | H171 | H172 | 116.5° | 120.5° |
| C17 | N16 | C64 | H641 | 151.9° | 69.9° |
| C17 | N16 | C64 | H642 | 90.5° | 170.4° |
| C64 | N16 | C17 | C18 | 57.1° | 69.1° |
| N16 | C64 | C65 | N63 | 4.0° | 17.1° |
| N16 | C64 | C65 | H641 | 121.2° | 120.2° |
| N16 | C64 | C65 | H642 | 121.2° | 120.1° |
| N16 | C64 | C65 | O66 | 175.8° | 162.8° |
| C64 | N16 | C17 | H171 | 64.0° | 171.1° |
| C64 | N16 | C17 | H172 | 178.3° | 50.7° |
| N16 | C64 | H641 | H642 | 116.3° | 119.7° |
| C17 | C18 | C19 | C21 | 133.7° | 119.5° |
| C17 | C18 | C19 | N63 | 121.6° | 120.6° |
| C17 | C18 | C21 | N63 | 112.6° | 120.6° |
| C17 | C18 | C19 | C20 | 161.0° | 177.3° |
| C17 | C18 | C21 | C22 | 175.8° | 177.3° |
| C17 | C18 | N63 | C65 | 21.3° | 18.3° |
| C18 | C17 | H171 | H172 | 116.4° | 120.3° |
| C17 | C18 | C21 | H211 | 54.4° | 62.7° |
| C17 | C18 | C21 | H212 | 62.9° | 57.4° |
| C17 | C18 | C19 | H191 | 77.5° | 57.4° |
| C17 | C18 | C19 | H192 | 39.5° | 62.7° |
| C17 | C18 | N63 | H631 | 158.7° | 161.7° |
| C19 | C18 | C21 | N63 | 106.3° | 119.9° |
| C18 | C19 | C20 | H191 | 121.5° | 119.9° |
| C18 | C19 | C20 | H192 | 121.4° | 120.0° |
| C18 | C19 | C20 | N23 | 41.8° | 59.2° |
| C19 | C18 | C21 | C22 | 34.7° | 57.8° |
| C19 | C18 | N63 | C65 | 154.3° | 138.5° |
| C19 | C18 | C17 | H171 | 50.0° | 69.5° |
| C19 | C18 | C17 | H172 | 67.8° | 50.9° |
| C18 | C19 | C20 | H201 | 78.9° | 60.8° |
| C18 | C19 | C20 | H202 | 162.4° | 179.3° |
| C19 | C18 | C21 | H211 | 86.7° | 177.7° |
| C19 | C18 | C21 | H212 | 156.0° | 62.2° |
| C18 | C19 | H191 | H192 | 115.3° | 120.1° |
| C19 | C18 | N63 | H631 | 25.6° | 41.5° |
| C21 | C18 | C19 | C20 | 27.3° | 57.8° |
| C18 | C21 | C22 | H211 | 121.4° | 119.9° |
| C18 | C21 | C22 | H212 | 121.3° | 120.0° |
| C18 | C21 | C22 | N23 | 55.8° | 59.3° |
| C21 | C18 | N63 | C65 | 93.1° | 102.0° |
| C21 | C18 | C17 | H171 | 176.4° | 49.9° |
| C21 | C18 | C17 | H172 | 65.9° | 170.2° |
| C18 | C21 | H211 | H212 | 115.7° | 120.1° |
| C18 | C21 | C22 | H221 | 175.8° | 179.3° |
| C18 | C21 | C22 | H222 | 64.2° | 60.8° |
| C21 | C18 | C19 | H191 | 148.8° | 62.1° |
| C21 | C18 | C19 | H192 | 94.2° | 177.7° |
| C21 | C18 | N63 | H631 | 87.0° | 78.1° |
| N63 | C18 | C19 | C20 | 77.5° | 62.1° |
| N63 | C18 | C21 | C22 | 71.6° | 62.1° |
| C18 | N63 | C65 | H631 | 180.0° | 180.0° |
| C18 | N63 | C65 | C64 | 0.2° | 1.7° |
| C18 | N63 | C65 | O66 | 180.0° | 178.3° |
| N63 | C18 | C17 | H171 | 69.0° | 170.2° |
| N63 | C18 | C17 | H172 | 173.2° | 69.5° |
| N63 | C18 | C21 | H211 | 167.0° | 57.9° |
| N63 | C18 | C21 | H212 | 49.7° | 178.0° |
| N63 | C18 | C19 | H191 | 44.0° | 178.0° |
| N63 | C18 | C19 | H192 | 161.1° | 57.9° |
| C19 | C20 | N23 | H201 | 120.7° | 120.1° |
| C19 | C20 | N23 | H202 | 120.7° | 120.0° |
| C19 | C20 | N23 | C22 | 58.2° | 61.7° |
| C19 | C20 | N23 | C24 | 157.4° | 174.2° |
| C19 | C20 | H201 | H202 | 118.0° | 120.0° |
| C20 | C19 | H191 | H192 | 115.4° | 120.1° |
| C20 | N23 | C22 | C21 | 63.6° | 61.7° |
| C20 | N23 | C22 | C24 | 143.8° | 124.1° |
| C20 | N23 | C24 | C62 | 153.7° | 180.0° |
| C20 | N23 | C24 | N25 | 26.7° | 0.3° |
| N23 | C20 | H201 | H202 | 117.9° | 119.9° |
| C20 | N23 | C22 | H221 | 176.4° | 178.3° |
| C20 | N23 | C22 | H222 | 56.4° | 58.4° |
| N23 | C20 | C19 | H191 | 163.2° | 60.7° |
| N23 | C20 | C19 | H192 | 79.7° | 179.2° |
| C21 | C22 | N23 | H221 | 120.0° | 120.1° |
| C21 | C22 | N23 | H222 | 120.0° | 120.0° |
| C21 | C22 | N23 | C24 | 152.6° | 174.2° |
| C22 | C21 | H211 | H212 | 115.7° | 120.1° |
| C21 | C22 | H221 | H222 | 120.0° | 120.0° |
| C22 | N23 | C24 | C62 | 14.8° | 55.8° |
| C22 | N23 | C24 | N25 | 165.5° | 124.5° |
| C22 | N23 | C20 | H201 | 62.5° | 58.4° |
| C22 | N23 | C20 | H202 | 178.9° | 178.3° |
| N23 | C22 | C21 | H211 | 65.5° | 179.2° |
| N23 | C22 | C21 | H212 | 177.2° | 60.7° |
| N23 | C22 | H221 | H222 | 120.0° | 119.9° |
| N23 | C24 | C62 | N25 | 179.6° | 179.7° |
| N23 | C24 | N25 | C26 | 179.9° | 179.7° |
| N23 | C24 | C62 | C28 | 179.8° | 179.7° |
| C24 | N23 | C20 | H201 | 81.9° | 65.7° |
| C24 | N23 | C20 | H202 | 36.7° | 54.1° |
| C24 | N23 | C22 | H221 | 32.6° | 54.1° |
| C24 | N23 | C22 | H222 | 87.4° | 65.8° |
| N23 | C24 | C62 | H621 | 0.2° | 0.2° |
| C62 | C24 | N25 | C26 | 0.3° | 0.0° |
| C24 | C62 | C28 | N27 | 0.6° | 0.0° |
| C24 | C62 | C28 | N29 | 179.4° | 180.0° |
| C24 | C62 | C28 | H621 | 180.0° | 179.9° |
| C24 | N25 | C26 | N27 | 0.1° | 0.0° |
| N25 | C24 | C62 | C28 | 0.5° | 0.0° |
| C24 | N25 | C26 | H261 | 179.9° | 179.9° |
| N25 | C24 | C62 | H621 | 179.5° | 179.9° |
| N25 | C26 | N27 | H261 | 180.0° | 180.0° |
| N25 | C26 | N27 | C28 | 0.2° | 0.0° |
| C26 | N27 | C28 | N29 | 179.6° | 180.0° |
| C26 | N27 | C28 | C62 | 0.4° | 0.0° |
| N27 | C28 | N29 | C62 | 180.0° | 179.9° |
| N27 | C28 | N29 | C30 | 167.8° | 180.0° |
| C28 | N27 | C26 | H261 | 179.8° | 180.0° |
| N27 | C28 | C62 | H621 | 179.4° | 179.9° |
| N27 | C28 | N29 | H291 | 45.0° | 0.0° |
| C28 | N29 | C30 | H291 | 122.8° | 180.0° |
| C28 | N29 | C30 | C31 | 97.4° | 180.0° |
| C28 | N29 | C30 | H301 | 141.3° | 60.0° |
| C28 | N29 | C30 | H302 | 23.9° | 60.0° |
| N29 | C28 | C62 | H621 | 0.6° | 0.1° |
| C62 | C28 | N29 | C30 | 12.2° | 0.0° |
| C62 | C28 | N29 | H291 | 135.0° | 179.9° |
| N29 | C30 | C31 | H301 | 121.3° | 120.0° |
| N29 | C30 | C31 | H302 | 121.3° | 120.0° |
| N29 | C30 | C31 | C32 | 178.7° | 175.0° |
| N29 | C30 | C31 | C34 | 59.3° | 65.0° |
| N29 | C30 | H301 | H302 | 115.9° | 120.0° |
| N29 | C30 | C31 | H311 | 62.8° | 55.0° |
| C30 | C31 | C32 | C34 | 127.2° | 120.0° |
| C30 | C31 | C32 | H311 | 117.9° | 120.0° |
| C30 | C31 | C34 | H311 | 121.8° | 120.0° |
| C30 | C31 | C32 | C33 | 173.3° | 178.6° |
| C30 | C31 | C34 | C35 | 161.2° | 178.6° |
| C31 | C30 | H301 | H302 | 115.9° | 120.0° |
| C30 | C31 | C32 | H321 | 65.5° | 58.7° |
| C30 | C31 | C32 | H322 | 52.1° | 61.4° |
| C30 | C31 | C34 | H341 | 39.5° | 61.4° |
| C30 | C31 | C34 | H342 | 77.2° | 58.7° |
| C31 | C30 | N29 | H291 | 25.4° | 0.0° |
| C32 | C31 | C34 | H311 | 115.1° | 120.0° |
| C31 | C32 | C33 | H321 | 121.1° | 119.9° |
| C31 | C32 | C33 | H322 | 121.2° | 120.0° |
| C31 | C32 | C33 | N36 | 60.8° | 54.6° |
| C32 | C31 | C34 | C35 | 38.1° | 61.4° |
| C32 | C31 | C30 | H301 | 60.0° | 65.0° |
| C32 | C31 | C30 | H302 | 57.4° | 55.0° |
| C31 | C32 | H321 | H322 | 116.3° | 120.1° |
| C31 | C32 | C33 | H331 | 59.9° | 65.1° |
| C31 | C32 | C33 | H332 | 178.5° | 174.4° |
| C32 | C31 | C34 | H341 | 83.6° | 58.5° |
| C32 | C31 | C34 | H342 | 159.7° | 178.7° |
| C34 | C31 | C32 | C33 | 46.1° | 61.4° |
| C31 | C34 | C35 | H341 | 121.7° | 120.0° |
| C31 | C34 | C35 | H342 | 121.6° | 119.9° |
| C31 | C34 | C35 | N36 | 42.6° | 54.7° |
| C34 | C31 | C30 | H301 | 179.4° | 55.1° |
| C34 | C31 | C30 | H302 | 62.0° | 175.0° |
| C34 | C31 | C32 | H321 | 167.3° | 178.7° |
| C34 | C31 | C32 | H322 | 75.1° | 58.6° |
| C31 | C34 | H341 | H342 | 114.7° | 120.1° |
| C31 | C34 | C35 | H351 | 163.6° | 174.5° |
| C31 | C34 | C35 | H352 | 78.4° | 65.1° |
| C32 | C33 | N36 | H331 | 120.7° | 119.8° |
| C32 | C33 | N36 | H332 | 120.7° | 119.8° |
| C32 | C33 | N36 | C35 | 55.0° | 53.6° |
| C32 | C33 | N36 | C37 | 124.8° | 126.4° |
| C33 | C32 | C31 | H311 | 68.8° | 58.6° |
| C33 | C32 | H321 | H322 | 116.4° | 120.1° |
| C32 | C33 | H331 | H332 | 118.0° | 120.4° |
| C33 | N36 | C35 | C34 | 46.6° | 53.6° |
| C33 | N36 | C35 | C37 | 179.7° | 180.0° |
| C33 | N36 | C37 | C38 | 179.1° | 180.0° |
| C33 | N36 | C37 | O61 | 0.1° | 0.0° |
| N36 | C33 | C32 | H321 | 178.1° | 174.6° |
| N36 | C33 | C32 | H322 | 60.4° | 65.3° |
| N36 | C33 | H331 | H332 | 118.0° | 120.3° |
| C33 | N36 | C35 | H351 | 167.6° | 173.4° |
| C33 | N36 | C35 | H352 | 74.4° | 66.2° |
| C34 | C35 | N36 | H351 | 121.0° | 119.8° |
| C34 | C35 | N36 | H352 | 121.0° | 119.8° |
| C34 | C35 | N36 | C37 | 133.2° | 126.4° |
| C35 | C34 | C31 | H311 | 77.0° | 58.6° |
| C35 | C34 | H341 | H342 | 114.7° | 120.1° |
| C34 | C35 | H351 | H352 | 116.8° | 120.4° |
| C35 | N36 | C37 | C38 | 0.6° | 0.1° |
| C35 | N36 | C37 | O61 | 179.8° | 180.0° |
| C35 | N36 | C33 | H331 | 65.7° | 66.2° |
| C35 | N36 | C33 | H332 | 175.7° | 173.4° |
| N36 | C35 | C34 | H341 | 79.0° | 65.3° |
| N36 | C35 | C34 | H342 | 164.3° | 174.6° |
| N36 | C35 | H351 | H352 | 116.8° | 120.3° |
| N36 | C37 | C38 | O61 | 179.2° | 179.9° |
| N36 | C37 | C38 | C39 | 142.6° | 180.0° |
| C37 | N36 | C33 | H331 | 114.5° | 113.8° |
| C37 | N36 | C33 | H332 | 4.1° | 6.6° |
| C37 | N36 | C35 | H351 | 12.2° | 6.5° |
| C37 | N36 | C35 | H352 | 105.8° | 113.8° |
| N36 | C37 | C38 | H381 | 21.4° | 60.1° |
| N36 | C37 | C38 | H382 | 96.3° | 60.0° |
| C37 | C38 | C39 | H381 | 121.2° | 120.0° |
| C37 | C38 | C39 | H382 | 121.1° | 120.0° |
| C37 | C38 | H381 | H382 | 116.4° | 120.1° |
| C37 | C38 | C39 | H391 | 180.0° | 60.0° |
| C37 | C38 | C39 | H392 | 60.0° | 60.0° |
| C37 | C38 | C39 | H2 | 60.0° | 179.9° |
| O61 | C37 | C38 | C39 | 36.6° | 0.0° |
| O61 | C37 | C38 | H381 | 157.8° | 120.0° |
| O61 | C37 | C38 | H382 | 84.5° | 120.0° |
| C39 | C38 | H381 | H382 | 116.4° | 120.0° |
| C38 | C39 | H391 | H392 | 120.0° | 120.0° |
| C38 | C39 | H391 | H2 | 120.0° | 120.1° |
| C38 | C39 | H392 | H2 | 120.0° | 120.0° |
| N63 | C65 | C64 | O66 | 179.8° | 180.0° |
| N63 | C65 | C64 | H641 | 125.2° | 103.1° |
| N63 | C65 | C64 | H642 | 117.2° | 137.2° |
| C65 | C64 | H641 | H642 | 116.3° | 119.7° |
| C64 | C65 | N63 | H631 | 179.8° | 178.3° |
| O66 | C65 | C64 | H641 | 54.6° | 76.9° |
| O66 | C65 | C64 | H642 | 63.0° | 42.8° |
| O66 | C65 | N63 | H631 | 0.0° | 1.7° |
| C68 | C67 | H671 | H672 | 117.8° | 120.0° |
| C67 | C68 | H681 | H682 | 117.9° | 120.2° |
| H201 | C20 | C19 | H191 | 42.5° | 179.2° |
| H201 | C20 | C19 | H192 | 159.6° | 59.2° |
| H202 | C20 | C19 | H191 | 76.1° | 59.3° |
| H202 | C20 | C19 | H192 | 41.0° | 60.8° |
| H211 | C21 | C22 | H221 | 54.4° | 60.8° |
| H211 | C21 | C22 | H222 | 174.5° | 59.1° |
| H212 | C21 | C22 | H221 | 62.8° | 59.3° |
| H212 | C21 | C22 | H222 | 57.2° | 179.2° |
| H011 | C01 | H012 | H013 | 120.0° | 120.1° |
| H031 | C03 | H032 | H033 | 120.0° | 120.0° |
| H041 | C04 | C05 | H051 | 60.7° | 59.2° |
| H041 | C04 | C05 | H052 | 179.4° | 179.2° |
| H042 | C04 | C05 | H051 | 58.5° | 60.8° |
| H042 | C04 | C05 | H052 | 61.4° | 59.1° |
| H301 | C30 | C31 | H311 | 58.5° | 175.1° |
| H301 | C30 | N29 | H291 | 95.9° | 120.0° |
| H302 | C30 | C31 | H311 | 175.9° | 65.0° |
| H302 | C30 | N29 | H291 | 146.7° | 120.0° |
| H311 | C31 | C32 | H321 | 52.4° | 61.3° |
| H311 | C31 | C32 | H322 | 170.1° | 178.6° |
| H311 | C31 | C34 | H341 | 161.3° | 178.6° |
| H311 | C31 | C34 | H342 | 44.6° | 61.3° |
| H321 | C32 | C33 | H331 | 61.3° | 54.8° |
| H321 | C32 | C33 | H332 | 57.4° | 65.6° |
| H322 | C32 | C33 | H331 | 179.0° | 174.9° |
| H322 | C32 | C33 | H332 | 60.3° | 54.4° |
| H341 | C34 | C35 | H351 | 42.0° | 54.5° |
| H341 | C34 | C35 | H352 | 160.0° | 174.9° |
| H342 | C34 | C35 | H351 | 74.7° | 65.6° |
| H342 | C34 | C35 | H352 | 43.3° | 54.8° |
| H381 | C38 | C39 | H391 | 58.8° | 180.0° |
| H381 | C38 | C39 | H392 | 178.8° | 60.0° |
| H381 | C38 | C39 | H2 | 61.1° | 60.0° |
| H382 | C38 | C39 | H391 | 58.9° | 60.0° |
| H382 | C38 | C39 | H392 | 61.1° | 180.0° |
| H382 | C38 | C39 | H2 | 178.8° | 60.0° |
| H391 | C39 | H392 | H2 | 120.0° | 120.0° |
| H671 | C67 | C68 | H681 | 71.5° | 59.1° |
| H671 | C67 | C68 | H682 | 47.1° | 179.3° |
| H672 | C67 | C68 | H681 | 47.0° | 60.9° |
| H672 | C67 | C68 | H682 | 165.7° | 59.3° |
