KIP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | sing | 1.53Å | 0.00Å | |
| C10 | C11 | sing | 1.53Å | 0.00Å | |
| C13 | C12 | sing | 1.53Å | 0.00Å | |
| C13 | C14 | sing | 1.53Å | 0.00Å | |
| C15 | C14 | sing | 1.53Å | 0.00Å | |
| C15 | C16 | sing | 1.53Å | 0.00Å | |
| C17 | C16 | sing | 1.53Å | 0.00Å | |
| C17 | C18 | sing | 1.53Å | 0.00Å | |
| C20 | C21 | sing | 1.53Å | 0.00Å | |
| C20 | C19 | sing | 1.53Å | 0.00Å | |
| C22 | C01 | sing | 1.53Å | 0.00Å | |
| C22 | O23 | sing | 1.43Å | 0.00Å | |
| C28 | O27 | sing | 1.43Å | 0.00Å | |
| C28 | C29 | sing | 1.53Å | 0.00Å | |
| P24 | O23 | sing | 1.61Å | 0.00Å | |
| P24 | O25 | doub | 1.48Å | 0.00Å | |
| P24 | O26 | sing | 1.61Å | 0.00Å | |
| P24 | O27 | sing | 1.61Å | 0.00Å | |
| C01 | O02 | sing | 1.43Å | 0.00Å | |
| C01 | C03 | sing | 1.53Å | 0.00Å | |
| C03 | O04 | sing | 1.45Å | 0.00Å | |
| O04 | C05 | sing | 1.34Å | 0.00Å | |
| C05 | O06 | doub | 1.21Å | 0.00Å | |
| C05 | C07 | sing | 1.51Å | 0.00Å | |
| C07 | C08 | sing | 1.53Å | 0.00Å | |
| C08 | C09 | sing | 1.53Å | 0.00Å | |
| C11 | C12 | sing | 1.53Å | 0.00Å | |
| C18 | C19 | sing | 1.53Å | 0.00Å | |
| C29 | N30 | sing | 1.47Å | 0.00Å | |
| N30 | C31 | sing | 1.47Å | 0.00Å | |
| N30 | C32 | sing | 1.47Å | 0.00Å | |
| N30 | C33 | sing | 1.47Å | 0.00Å | |
| C10 | H101 | sing | 1.09Å | 0.00Å | |
| C10 | H102 | sing | 1.09Å | 0.00Å | |
| C13 | H131 | sing | 1.09Å | 0.00Å | |
| C13 | H132 | sing | 1.09Å | 0.00Å | |
| C15 | H152 | sing | 1.09Å | 0.00Å | |
| C15 | H151 | sing | 1.09Å | 0.00Å | |
| C17 | H171 | sing | 1.09Å | 0.00Å | |
| C17 | H172 | sing | 1.09Å | 0.00Å | |
| C20 | H202 | sing | 1.09Å | 0.00Å | |
| C20 | H201 | sing | 1.09Å | 0.00Å | |
| C21 | H213 | sing | 1.09Å | 0.00Å | |
| C21 | H212 | sing | 1.09Å | 0.00Å | |
| C21 | H211 | sing | 1.09Å | 0.00Å | |
| C22 | H221 | sing | 1.09Å | 0.00Å | |
| C22 | H222 | sing | 1.09Å | 0.00Å | |
| C28 | H281 | sing | 1.09Å | 0.00Å | |
| C28 | H282 | sing | 1.09Å | 0.00Å | |
| C01 | H011 | sing | 1.09Å | 0.00Å | |
| O02 | H021 | sing | 0.97Å | 0.00Å | |
| C03 | H032 | sing | 1.09Å | 0.00Å | |
| C03 | H031 | sing | 1.09Å | 0.00Å | |
| C07 | H072 | sing | 1.09Å | 0.00Å | |
| C07 | H071 | sing | 1.09Å | 0.00Å | |
| C08 | H081 | sing | 1.09Å | 0.00Å | |
| C08 | H082 | sing | 1.09Å | 0.00Å | |
| C09 | H092 | sing | 1.09Å | 0.00Å | |
| C09 | H091 | sing | 1.09Å | 0.00Å | |
| C11 | H111 | sing | 1.09Å | 0.00Å | |
| C11 | H112 | sing | 1.09Å | 0.00Å | |
| C12 | H121 | sing | 1.09Å | 0.00Å | |
| C12 | H122 | sing | 1.09Å | 0.00Å | |
| C14 | H141 | sing | 1.09Å | 0.00Å | |
| C14 | H142 | sing | 1.09Å | 0.00Å | |
| C16 | H162 | sing | 1.09Å | 0.00Å | |
| C16 | H161 | sing | 1.09Å | 0.00Å | |
| C18 | H182 | sing | 1.09Å | 0.00Å | |
| C18 | H181 | sing | 1.09Å | 0.00Å | |
| C19 | H191 | sing | 1.09Å | 0.00Å | |
| C19 | H192 | sing | 1.09Å | 0.00Å | |
| O26 | H1 | sing | 0.97Å | 0.00Å | |
| C29 | H291 | sing | 1.09Å | 0.00Å | |
| C29 | H292 | sing | 1.09Å | 0.00Å | |
| C31 | H312 | sing | 1.09Å | 0.00Å | |
| C31 | H311 | sing | 1.09Å | 0.00Å | |
| C31 | H313 | sing | 1.09Å | 0.00Å | |
| C32 | H322 | sing | 1.09Å | 0.00Å | |
| C32 | H321 | sing | 1.09Å | 0.00Å | |
| C32 | H323 | sing | 1.09Å | 0.00Å | |
| C33 | H331 | sing | 1.09Å | 0.00Å | |
| C33 | H333 | sing | 1.09Å | 0.00Å | |
| C33 | H332 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C10 | C11 | 90.0° | 109.5° |
| C10 | C09 | C08 | 90.0° | 109.5° |
| C09 | C10 | H101 | 90.0° | 109.5° |
| C09 | C10 | H102 | 90.0° | 109.5° |
| C10 | C09 | H092 | 90.0° | 109.5° |
| C10 | C09 | H091 | 90.0° | 109.5° |
| C10 | C11 | C12 | 90.0° | 109.5° |
| C11 | C10 | H101 | 90.0° | 109.5° |
| C11 | C10 | H102 | 90.0° | 109.5° |
| C10 | C11 | H111 | 90.0° | 109.5° |
| C10 | C11 | H112 | 90.0° | 109.5° |
| C12 | C13 | C14 | 90.0° | 109.5° |
| C13 | C12 | C11 | 90.0° | 109.5° |
| C12 | C13 | H131 | 90.0° | 109.5° |
| C12 | C13 | H132 | 90.0° | 109.5° |
| C13 | C12 | H121 | 90.0° | 109.5° |
| C13 | C12 | H122 | 90.0° | 109.5° |
| C13 | C14 | C15 | 90.0° | 109.5° |
| C14 | C13 | H131 | 90.0° | 109.5° |
| C14 | C13 | H132 | 90.0° | 109.5° |
| C13 | C14 | H141 | 90.0° | 109.5° |
| C13 | C14 | H142 | 90.0° | 109.5° |
| C14 | C15 | C16 | 90.0° | 109.5° |
| C14 | C15 | H152 | 90.0° | 109.4° |
| C14 | C15 | H151 | 90.0° | 109.5° |
| C15 | C14 | H141 | 90.0° | 109.5° |
| C15 | C14 | H142 | 90.0° | 109.5° |
| C15 | C16 | C17 | 90.0° | 109.5° |
| C16 | C15 | H152 | 90.0° | 109.5° |
| C16 | C15 | H151 | 90.0° | 109.5° |
| C15 | C16 | H162 | 90.0° | 109.4° |
| C15 | C16 | H161 | 90.0° | 109.5° |
| C16 | C17 | C18 | 90.0° | 109.5° |
| C16 | C17 | H171 | 90.0° | 109.4° |
| C16 | C17 | H172 | 90.0° | 109.4° |
| C17 | C16 | H162 | 90.0° | 109.5° |
| C17 | C16 | H161 | 90.0° | 109.5° |
| C17 | C18 | C19 | 90.0° | 109.5° |
| C18 | C17 | H171 | 90.0° | 109.5° |
| C18 | C17 | H172 | 90.0° | 109.5° |
| C17 | C18 | H182 | 90.0° | 109.5° |
| C17 | C18 | H181 | 90.0° | 109.5° |
| C21 | C20 | C19 | 90.0° | 109.5° |
| C21 | C20 | H202 | 90.0° | 109.4° |
| C21 | C20 | H201 | 90.0° | 109.4° |
| C20 | C21 | H213 | 90.0° | 109.5° |
| C20 | C21 | H212 | 90.0° | 109.5° |
| C20 | C21 | H211 | 90.0° | 109.5° |
| C20 | C19 | C18 | 90.0° | 109.4° |
| C19 | C20 | H202 | 90.0° | 109.5° |
| C19 | C20 | H201 | 90.0° | 109.5° |
| C20 | C19 | H191 | 90.0° | 109.5° |
| C20 | C19 | H192 | 90.0° | 109.4° |
| C01 | C22 | O23 | 90.0° | 109.5° |
| C22 | C01 | O02 | 90.0° | 109.5° |
| C22 | C01 | C03 | 90.0° | 109.4° |
| C01 | C22 | H221 | 90.0° | 109.5° |
| C01 | C22 | H222 | 90.0° | 109.5° |
| C22 | C01 | H011 | 90.0° | 109.5° |
| C22 | O23 | P24 | 90.0° | 123.0° |
| O23 | C22 | H221 | 90.0° | 109.4° |
| O23 | C22 | H222 | 90.0° | 109.5° |
| O27 | C28 | C29 | 90.0° | 109.5° |
| C28 | O27 | P24 | 90.0° | 123.0° |
| O27 | C28 | H281 | 90.0° | 109.5° |
| O27 | C28 | H282 | 90.0° | 109.4° |
| C28 | C29 | N30 | 90.0° | 109.4° |
| C29 | C28 | H281 | 90.0° | 109.4° |
| C29 | C28 | H282 | 90.0° | 109.4° |
| C28 | C29 | H291 | 90.0° | 109.5° |
| C28 | C29 | H292 | 90.0° | 109.5° |
| O23 | P24 | O25 | 90.0° | 109.5° |
| O23 | P24 | O26 | 90.0° | 109.5° |
| O23 | P24 | O27 | 90.0° | 109.4° |
| O25 | P24 | O26 | 90.0° | 109.5° |
| O25 | P24 | O27 | 90.0° | 109.5° |
| O26 | P24 | O27 | 90.0° | 109.5° |
| P24 | O26 | H1 | 90.0° | 114.0° |
| O02 | C01 | C03 | 90.0° | 109.5° |
| O02 | C01 | H011 | 90.0° | 109.5° |
| C01 | O02 | H021 | 90.0° | 114.0° |
| C01 | C03 | O04 | 90.0° | 109.5° |
| C03 | C01 | H011 | 90.0° | 109.4° |
| C01 | C03 | H032 | 90.0° | 109.5° |
| C01 | C03 | H031 | 90.0° | 109.5° |
| C03 | O04 | C05 | 90.0° | 117.0° |
| O04 | C03 | H032 | 90.0° | 109.5° |
| O04 | C03 | H031 | 90.0° | 109.4° |
| O04 | C05 | O06 | 90.0° | 120.0° |
| O04 | C05 | C07 | 90.0° | 120.0° |
| O06 | C05 | C07 | 90.0° | 120.0° |
| C05 | C07 | C08 | 90.0° | 109.5° |
| C05 | C07 | H072 | 90.0° | 109.5° |
| C05 | C07 | H071 | 90.0° | 109.5° |
| C07 | C08 | C09 | 90.0° | 109.5° |
| C08 | C07 | H072 | 90.0° | 109.5° |
| C08 | C07 | H071 | 90.0° | 109.5° |
| C07 | C08 | H081 | 90.0° | 109.5° |
| C07 | C08 | H082 | 90.0° | 109.5° |
| C09 | C08 | H081 | 90.0° | 109.5° |
| C09 | C08 | H082 | 90.0° | 109.5° |
| C08 | C09 | H092 | 90.0° | 109.4° |
| C08 | C09 | H091 | 90.0° | 109.4° |
| C12 | C11 | H111 | 90.0° | 109.5° |
| C12 | C11 | H112 | 90.0° | 109.4° |
| C11 | C12 | H121 | 90.0° | 109.5° |
| C11 | C12 | H122 | 90.0° | 109.5° |
| C19 | C18 | H182 | 90.0° | 109.5° |
| C19 | C18 | H181 | 90.0° | 109.5° |
| C18 | C19 | H191 | 90.0° | 109.5° |
| C18 | C19 | H192 | 90.0° | 109.5° |
| C29 | N30 | C31 | 90.0° | 109.5° |
| C29 | N30 | C32 | 90.0° | 109.5° |
| C29 | N30 | C33 | 90.0° | 109.5° |
| N30 | C29 | H291 | 90.0° | 109.5° |
| N30 | C29 | H292 | 90.0° | 109.5° |
| C31 | N30 | C32 | 90.0° | 109.4° |
| C31 | N30 | C33 | 90.0° | 109.5° |
| N30 | C31 | H312 | 90.0° | 109.5° |
| N30 | C31 | H311 | 90.0° | 109.4° |
| N30 | C31 | H313 | 90.0° | 109.4° |
| C32 | N30 | C33 | 90.0° | 109.5° |
| N30 | C32 | H322 | 90.0° | 109.5° |
| N30 | C32 | H321 | 90.0° | 109.5° |
| N30 | C32 | H323 | 90.0° | 109.5° |
| N30 | C33 | H331 | 90.0° | 109.5° |
| N30 | C33 | H333 | 90.0° | 109.5° |
| N30 | C33 | H332 | 90.0° | 109.5° |
| H101 | C10 | H102 | 90.0° | 109.5° |
| H131 | C13 | H132 | 90.0° | 109.5° |
| H152 | C15 | H151 | 90.0° | 109.4° |
| H171 | C17 | H172 | 90.0° | 109.5° |
| H202 | C20 | H201 | 90.0° | 109.4° |
| H213 | C21 | H212 | 90.0° | 109.5° |
| H213 | C21 | H211 | 90.0° | 109.5° |
| H212 | C21 | H211 | 90.0° | 109.4° |
| H221 | C22 | H222 | 90.0° | 109.5° |
| H281 | C28 | H282 | 90.0° | 109.5° |
| H032 | C03 | H031 | 90.0° | 109.5° |
| H072 | C07 | H071 | 90.0° | 109.5° |
| H081 | C08 | H082 | 90.0° | 109.5° |
| H092 | C09 | H091 | 90.0° | 109.4° |
| H111 | C11 | H112 | 90.0° | 109.4° |
| H121 | C12 | H122 | 90.0° | 109.4° |
| H141 | C14 | H142 | 90.0° | 109.5° |
| H162 | C16 | H161 | 90.0° | 109.5° |
| H182 | C18 | H181 | 90.0° | 109.5° |
| H191 | C19 | H192 | 90.0° | 109.4° |
| H291 | C29 | H292 | 90.0° | 109.5° |
| H312 | C31 | H311 | 90.0° | 109.5° |
| H312 | C31 | H313 | 90.0° | 109.5° |
| H311 | C31 | H313 | 90.0° | 109.4° |
| H322 | C32 | H321 | 90.0° | 109.5° |
| H322 | C32 | H323 | 90.0° | 109.4° |
| H321 | C32 | H323 | 90.0° | 109.5° |
| H331 | C33 | H333 | 90.0° | 109.5° |
| H331 | C33 | H332 | 90.0° | 109.5° |
| H333 | C33 | H332 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C10 | C11 | H101 | 90.0° | 120.0° |
| C09 | C10 | C11 | H102 | 90.0° | 120.0° |
| C10 | C09 | C08 | C07 | 90.0° | 180.0° |
| C10 | C09 | C08 | H092 | 90.0° | 120.0° |
| C10 | C09 | C08 | H091 | 90.0° | 120.0° |
| C09 | C10 | C11 | C12 | 90.0° | 180.0° |
| C09 | C10 | H101 | H102 | 90.0° | 120.0° |
| C10 | C09 | C08 | H081 | 90.0° | 60.0° |
| C10 | C09 | C08 | H082 | 90.0° | 60.0° |
| C10 | C09 | H092 | H091 | 90.0° | 120.1° |
| C09 | C10 | C11 | H111 | 90.0° | 59.9° |
| C09 | C10 | C11 | H112 | 90.0° | 60.0° |
| C10 | C11 | C12 | C13 | 90.0° | 180.0° |
| C11 | C10 | C09 | C08 | 90.0° | 180.0° |
| C10 | C11 | C12 | H111 | 90.0° | 120.1° |
| C10 | C11 | C12 | H112 | 90.0° | 120.0° |
| C11 | C10 | H101 | H102 | 90.0° | 120.0° |
| C11 | C10 | C09 | H092 | 90.0° | 60.0° |
| C11 | C10 | C09 | H091 | 90.0° | 60.0° |
| C10 | C11 | H111 | H112 | 90.0° | 120.0° |
| C10 | C11 | C12 | H121 | 90.0° | 60.0° |
| C10 | C11 | C12 | H122 | 90.0° | 59.9° |
| C12 | C13 | C14 | H131 | 90.0° | 120.0° |
| C12 | C13 | C14 | H132 | 90.0° | 120.0° |
| C12 | C13 | C14 | C15 | 90.0° | 180.0° |
| C13 | C12 | C11 | H121 | 90.0° | 120.0° |
| C13 | C12 | C11 | H122 | 90.0° | 120.0° |
| C12 | C13 | H131 | H132 | 90.0° | 120.0° |
| C13 | C12 | C11 | H111 | 90.0° | 59.9° |
| C13 | C12 | C11 | H112 | 90.0° | 60.0° |
| C13 | C12 | H121 | H122 | 90.0° | 120.0° |
| C12 | C13 | C14 | H141 | 90.0° | 60.0° |
| C12 | C13 | C14 | H142 | 90.0° | 60.0° |
| C13 | C14 | C15 | H141 | 90.0° | 120.0° |
| C13 | C14 | C15 | H142 | 90.0° | 120.0° |
| C13 | C14 | C15 | C16 | 90.0° | 180.0° |
| C14 | C13 | C12 | C11 | 90.0° | 180.0° |
| C14 | C13 | H131 | H132 | 90.0° | 120.0° |
| C13 | C14 | C15 | H152 | 90.0° | 60.0° |
| C13 | C14 | C15 | H151 | 90.0° | 60.0° |
| C14 | C13 | C12 | H121 | 90.0° | 60.0° |
| C14 | C13 | C12 | H122 | 90.0° | 60.0° |
| C13 | C14 | H141 | H142 | 90.0° | 120.0° |
| C14 | C15 | C16 | H152 | 90.0° | 120.0° |
| C14 | C15 | C16 | H151 | 90.0° | 120.0° |
| C14 | C15 | C16 | C17 | 90.0° | 180.0° |
| C15 | C14 | C13 | H131 | 90.0° | 60.0° |
| C15 | C14 | C13 | H132 | 90.0° | 60.0° |
| C14 | C15 | H152 | H151 | 90.0° | 120.0° |
| C15 | C14 | H141 | H142 | 90.0° | 120.0° |
| C14 | C15 | C16 | H162 | 90.0° | 60.0° |
| C14 | C15 | C16 | H161 | 90.0° | 60.0° |
| C15 | C16 | C17 | H162 | 90.0° | 119.9° |
| C15 | C16 | C17 | H161 | 90.0° | 120.0° |
| C15 | C16 | C17 | C18 | 90.0° | 180.0° |
| C16 | C15 | H152 | H151 | 90.0° | 120.0° |
| C15 | C16 | C17 | H171 | 90.0° | 60.0° |
| C15 | C16 | C17 | H172 | 90.0° | 59.9° |
| C16 | C15 | C14 | H141 | 90.0° | 60.0° |
| C16 | C15 | C14 | H142 | 90.0° | 60.0° |
| C15 | C16 | H162 | H161 | 90.0° | 120.0° |
| C16 | C17 | C18 | H171 | 90.0° | 120.0° |
| C16 | C17 | C18 | H172 | 90.0° | 120.0° |
| C16 | C17 | C18 | C19 | 90.0° | 180.0° |
| C17 | C16 | C15 | H152 | 90.0° | 60.0° |
| C17 | C16 | C15 | H151 | 90.0° | 60.0° |
| C16 | C17 | H171 | H172 | 90.0° | 119.9° |
| C17 | C16 | H162 | H161 | 90.0° | 120.0° |
| C16 | C17 | C18 | H182 | 90.0° | 60.0° |
| C16 | C17 | C18 | H181 | 90.0° | 60.0° |
| C17 | C18 | C19 | C20 | 90.0° | 180.0° |
| C17 | C18 | C19 | H182 | 90.0° | 120.0° |
| C17 | C18 | C19 | H181 | 90.0° | 120.0° |
| C18 | C17 | H171 | H172 | 90.0° | 120.1° |
| C18 | C17 | C16 | H162 | 90.0° | 60.0° |
| C18 | C17 | C16 | H161 | 90.0° | 60.0° |
| C17 | C18 | H182 | H181 | 90.0° | 120.0° |
| C17 | C18 | C19 | H191 | 90.0° | 60.0° |
| C17 | C18 | C19 | H192 | 90.0° | 60.0° |
| C21 | C20 | C19 | H202 | 90.0° | 120.0° |
| C21 | C20 | C19 | H201 | 90.0° | 120.0° |
| C21 | C20 | C19 | C18 | 90.0° | 180.0° |
| C21 | C20 | H202 | H201 | 90.0° | 119.9° |
| C20 | C21 | H213 | H212 | 90.0° | 120.0° |
| C20 | C21 | H213 | H211 | 90.0° | 120.0° |
| C20 | C21 | H212 | H211 | 90.0° | 120.0° |
| C21 | C20 | C19 | H191 | 90.0° | 60.0° |
| C21 | C20 | C19 | H192 | 90.0° | 60.0° |
| C20 | C19 | C18 | H191 | 90.0° | 120.0° |
| C20 | C19 | C18 | H192 | 90.0° | 120.0° |
| C19 | C20 | H202 | H201 | 90.0° | 120.1° |
| C19 | C20 | C21 | H213 | 90.0° | 60.0° |
| C19 | C20 | C21 | H212 | 90.0° | 60.0° |
| C19 | C20 | C21 | H211 | 90.0° | 180.0° |
| C20 | C19 | C18 | H182 | 90.0° | 60.1° |
| C20 | C19 | C18 | H181 | 90.0° | 60.0° |
| C20 | C19 | H191 | H192 | 90.0° | 120.0° |
| C01 | C22 | O23 | H221 | 90.0° | 120.0° |
| C01 | C22 | O23 | H222 | 90.0° | 120.0° |
| C01 | C22 | O23 | P24 | 90.0° | 180.0° |
| C22 | C01 | O02 | C03 | 90.0° | 120.0° |
| C22 | C01 | O02 | H011 | 90.0° | 120.0° |
| C22 | C01 | C03 | H011 | 90.0° | 120.0° |
| C22 | C01 | C03 | O04 | 90.0° | 175.0° |
| C01 | C22 | H221 | H222 | 90.0° | 120.0° |
| C22 | C01 | O02 | H021 | 90.0° | 60.0° |
| C22 | C01 | C03 | H032 | 90.0° | 55.0° |
| C22 | C01 | C03 | H031 | 90.0° | 65.1° |
| C22 | O23 | P24 | O25 | 90.0° | 55.0° |
| C22 | O23 | P24 | O26 | 90.0° | 65.0° |
| C22 | O23 | P24 | O27 | 90.0° | 175.0° |
| O23 | C22 | C01 | O02 | 90.0° | 65.0° |
| O23 | C22 | C01 | C03 | 90.0° | 175.0° |
| O23 | C22 | H221 | H222 | 90.0° | 120.0° |
| O23 | C22 | C01 | H011 | 90.0° | 55.0° |
| O27 | C28 | C29 | H281 | 90.0° | 120.0° |
| O27 | C28 | C29 | H282 | 90.0° | 119.9° |
| C28 | O27 | P24 | O23 | 90.0° | 175.0° |
| C28 | O27 | P24 | O25 | 90.0° | 55.0° |
| C28 | O27 | P24 | O26 | 90.0° | 65.0° |
| O27 | C28 | C29 | N30 | 90.0° | 66.5° |
| O27 | C28 | H281 | H282 | 90.0° | 120.0° |
| O27 | C28 | C29 | H291 | 90.0° | 173.5° |
| O27 | C28 | C29 | H292 | 90.0° | 53.5° |
| C29 | C28 | O27 | P24 | 90.0° | 180.0° |
| C28 | C29 | N30 | H291 | 90.0° | 120.0° |
| C28 | C29 | N30 | H292 | 90.0° | 120.0° |
| C28 | C29 | N30 | C31 | 90.0° | 54.5° |
| C28 | C29 | N30 | C32 | 90.0° | 174.4° |
| C28 | C29 | N30 | C33 | 90.0° | 65.6° |
| C29 | C28 | H281 | H282 | 90.0° | 120.0° |
| C28 | C29 | H291 | H292 | 90.0° | 120.0° |
| O23 | P24 | O25 | O26 | 90.0° | 120.0° |
| O23 | P24 | O25 | O27 | 90.0° | 120.0° |
| O23 | P24 | O26 | O27 | 90.0° | 120.0° |
| P24 | O23 | C22 | H221 | 90.0° | 60.0° |
| P24 | O23 | C22 | H222 | 90.0° | 60.0° |
| O23 | P24 | O26 | H1 | 90.0° | 60.0° |
| O25 | P24 | O26 | O27 | 90.0° | 120.0° |
| O25 | P24 | O26 | H1 | 90.0° | 180.0° |
| P24 | O27 | C28 | H281 | 90.0° | 60.0° |
| P24 | O27 | C28 | H282 | 90.0° | 60.1° |
| O27 | P24 | O26 | H1 | 90.0° | 60.0° |
| O02 | C01 | C03 | H011 | 90.0° | 120.0° |
| O02 | C01 | C03 | O04 | 90.0° | 65.0° |
| O02 | C01 | C22 | H221 | 90.0° | 55.0° |
| O02 | C01 | C22 | H222 | 90.0° | 175.0° |
| O02 | C01 | C03 | H032 | 90.0° | 175.0° |
| O02 | C01 | C03 | H031 | 90.0° | 54.9° |
| C01 | C03 | O04 | H032 | 90.0° | 120.0° |
| C01 | C03 | O04 | H031 | 90.0° | 120.0° |
| C01 | C03 | O04 | C05 | 90.0° | 180.0° |
| C03 | C01 | C22 | H221 | 90.0° | 65.0° |
| C03 | C01 | C22 | H222 | 90.0° | 55.0° |
| C03 | C01 | O02 | H021 | 90.0° | 60.0° |
| C01 | C03 | H032 | H031 | 90.0° | 120.1° |
| C03 | O04 | C05 | O06 | 90.0° | 0.1° |
| C03 | O04 | C05 | C07 | 90.0° | 180.0° |
| O04 | C03 | C01 | H011 | 90.0° | 55.1° |
| O04 | C03 | H032 | H031 | 90.0° | 119.9° |
| O04 | C05 | O06 | C07 | 90.0° | 179.9° |
| O04 | C05 | C07 | C08 | 90.0° | 180.0° |
| C05 | O04 | C03 | H032 | 90.0° | 60.0° |
| C05 | O04 | C03 | H031 | 90.0° | 60.0° |
| O04 | C05 | C07 | H072 | 90.0° | 60.0° |
| O04 | C05 | C07 | H071 | 90.0° | 60.0° |
| O06 | C05 | C07 | C08 | 90.0° | 0.1° |
| O06 | C05 | C07 | H072 | 90.0° | 119.9° |
| O06 | C05 | C07 | H071 | 90.0° | 120.0° |
| C05 | C07 | C08 | H072 | 90.0° | 120.0° |
| C05 | C07 | C08 | H071 | 90.0° | 120.0° |
| C05 | C07 | C08 | C09 | 90.0° | 180.0° |
| C05 | C07 | H072 | H071 | 90.0° | 120.0° |
| C05 | C07 | C08 | H081 | 90.0° | 60.0° |
| C05 | C07 | C08 | H082 | 90.0° | 60.0° |
| C07 | C08 | C09 | H081 | 90.0° | 120.0° |
| C07 | C08 | C09 | H082 | 90.0° | 120.0° |
| C08 | C07 | H072 | H071 | 90.0° | 120.0° |
| C07 | C08 | H081 | H082 | 90.0° | 120.0° |
| C07 | C08 | C09 | H092 | 90.0° | 60.0° |
| C07 | C08 | C09 | H091 | 90.0° | 60.0° |
| C08 | C09 | C10 | H101 | 90.0° | 60.0° |
| C08 | C09 | C10 | H102 | 90.0° | 60.0° |
| C09 | C08 | C07 | H072 | 90.0° | 60.0° |
| C09 | C08 | C07 | H071 | 90.0° | 60.0° |
| C09 | C08 | H081 | H082 | 90.0° | 120.0° |
| C08 | C09 | H092 | H091 | 90.0° | 119.9° |
| C12 | C11 | C10 | H101 | 90.0° | 60.0° |
| C12 | C11 | C10 | H102 | 90.0° | 60.0° |
| C11 | C12 | C13 | H131 | 90.0° | 60.0° |
| C11 | C12 | C13 | H132 | 90.0° | 60.0° |
| C12 | C11 | H111 | H112 | 90.0° | 119.9° |
| C11 | C12 | H121 | H122 | 90.0° | 120.0° |
| C19 | C18 | C17 | H171 | 90.0° | 60.0° |
| C19 | C18 | C17 | H172 | 90.0° | 60.0° |
| C18 | C19 | C20 | H202 | 90.0° | 60.0° |
| C18 | C19 | C20 | H201 | 90.0° | 60.0° |
| C19 | C18 | H182 | H181 | 90.0° | 120.0° |
| C18 | C19 | H191 | H192 | 90.0° | 120.0° |
| C29 | N30 | C31 | C32 | 90.0° | 120.0° |
| C29 | N30 | C31 | C33 | 90.0° | 120.0° |
| C29 | N30 | C32 | C33 | 90.0° | 120.0° |
| N30 | C29 | C28 | H281 | 90.0° | 53.5° |
| N30 | C29 | C28 | H282 | 90.0° | 173.5° |
| N30 | C29 | H291 | H292 | 90.0° | 120.0° |
| C29 | N30 | C31 | H312 | 90.0° | 60.0° |
| C29 | N30 | C31 | H311 | 90.0° | 180.0° |
| C29 | N30 | C31 | H313 | 90.0° | 60.1° |
| C29 | N30 | C32 | H322 | 90.0° | 60.0° |
| C29 | N30 | C32 | H321 | 90.0° | 180.0° |
| C29 | N30 | C32 | H323 | 90.0° | 60.0° |
| C29 | N30 | C33 | H331 | 90.0° | 71.1° |
| C29 | N30 | C33 | H333 | 90.0° | 168.9° |
| C29 | N30 | C33 | H332 | 90.0° | 49.0° |
| C31 | N30 | C32 | C33 | 90.0° | 120.0° |
| C31 | N30 | C29 | H291 | 90.0° | 65.5° |
| C31 | N30 | C29 | H292 | 90.0° | 174.4° |
| N30 | C31 | H312 | H311 | 90.0° | 120.0° |
| N30 | C31 | H312 | H313 | 90.0° | 120.0° |
| N30 | C31 | H311 | H313 | 90.0° | 119.9° |
| C31 | N30 | C32 | H322 | 90.0° | 180.0° |
| C31 | N30 | C32 | H321 | 90.0° | 60.0° |
| C31 | N30 | C32 | H323 | 90.0° | 60.0° |
| C31 | N30 | C33 | H331 | 90.0° | 49.0° |
| C31 | N30 | C33 | H333 | 90.0° | 71.1° |
| C31 | N30 | C33 | H332 | 90.0° | 169.0° |
| C32 | N30 | C29 | H291 | 90.0° | 54.4° |
| C32 | N30 | C29 | H292 | 90.0° | 65.6° |
| C32 | N30 | C31 | H312 | 90.0° | 60.0° |
| C32 | N30 | C31 | H311 | 90.0° | 60.0° |
| C32 | N30 | C31 | H313 | 90.0° | 180.0° |
| N30 | C32 | H322 | H321 | 90.0° | 120.0° |
| N30 | C32 | H322 | H323 | 90.0° | 120.0° |
| N30 | C32 | H321 | H323 | 90.0° | 120.0° |
| C32 | N30 | C33 | H331 | 90.0° | 168.9° |
| C32 | N30 | C33 | H333 | 90.0° | 48.9° |
| C32 | N30 | C33 | H332 | 90.0° | 71.0° |
| C33 | N30 | C29 | H291 | 90.0° | 174.4° |
| C33 | N30 | C29 | H292 | 90.0° | 54.4° |
| C33 | N30 | C31 | H312 | 90.0° | 180.0° |
| C33 | N30 | C31 | H311 | 90.0° | 60.0° |
| C33 | N30 | C31 | H313 | 90.0° | 60.0° |
| C33 | N30 | C32 | H322 | 90.0° | 60.0° |
| C33 | N30 | C32 | H321 | 90.0° | 60.0° |
| C33 | N30 | C32 | H323 | 90.0° | 180.0° |
| N30 | C33 | H331 | H333 | 90.0° | 120.0° |
| N30 | C33 | H331 | H332 | 90.0° | 120.0° |
| N30 | C33 | H333 | H332 | 90.0° | 120.0° |
| H101 | C10 | C09 | H092 | 90.0° | 60.0° |
| H101 | C10 | C09 | H091 | 90.0° | 180.0° |
| H101 | C10 | C11 | H111 | 90.0° | 179.9° |
| H101 | C10 | C11 | H112 | 90.0° | 60.0° |
| H102 | C10 | C09 | H092 | 90.0° | 180.0° |
| H102 | C10 | C09 | H091 | 90.0° | 60.0° |
| H102 | C10 | C11 | H111 | 90.0° | 60.0° |
| H102 | C10 | C11 | H112 | 90.0° | NaN° |
| H131 | C13 | C12 | H121 | 90.0° | 60.0° |
| H131 | C13 | C12 | H122 | 90.0° | 180.0° |
| H131 | C13 | C14 | H141 | 90.0° | 180.0° |
| H131 | C13 | C14 | H142 | 90.0° | 60.0° |
| H132 | C13 | C12 | H121 | 90.0° | 180.0° |
| H132 | C13 | C12 | H122 | 90.0° | 60.0° |
| H132 | C13 | C14 | H141 | 90.0° | 60.0° |
| H132 | C13 | C14 | H142 | 90.0° | 180.0° |
| H152 | C15 | C14 | H141 | 90.0° | 180.0° |
| H152 | C15 | C14 | H142 | 90.0° | 60.0° |
| H152 | C15 | C16 | H162 | 90.0° | 180.0° |
| H152 | C15 | C16 | H161 | 90.0° | 60.0° |
| H151 | C15 | C14 | H141 | 90.0° | 60.0° |
| H151 | C15 | C14 | H142 | 90.0° | 180.0° |
| H151 | C15 | C16 | H162 | 90.0° | 60.0° |
| H151 | C15 | C16 | H161 | 90.0° | 180.0° |
| H171 | C17 | C16 | H162 | 90.0° | 179.9° |
| H171 | C17 | C16 | H161 | 90.0° | 60.0° |
| H171 | C17 | C18 | H182 | 90.0° | 180.0° |
| H171 | C17 | C18 | H181 | 90.0° | 60.0° |
| H172 | C17 | C16 | H162 | 90.0° | 60.0° |
| H172 | C17 | C16 | H161 | 90.0° | 180.0° |
| H172 | C17 | C18 | H182 | 90.0° | 59.9° |
| H172 | C17 | C18 | H181 | 90.0° | 180.0° |
| H202 | C20 | C21 | H213 | 90.0° | 60.0° |
| H202 | C20 | C21 | H212 | 90.0° | 180.0° |
| H202 | C20 | C21 | H211 | 90.0° | 60.0° |
| H202 | C20 | C19 | H191 | 90.0° | 180.0° |
| H202 | C20 | C19 | H192 | 90.0° | 60.0° |
| H201 | C20 | C21 | H213 | 90.0° | 180.0° |
| H201 | C20 | C21 | H212 | 90.0° | 60.0° |
| H201 | C20 | C21 | H211 | 90.0° | 60.0° |
| H201 | C20 | C19 | H191 | 90.0° | 60.0° |
| H201 | C20 | C19 | H192 | 90.0° | 180.0° |
| H213 | C21 | H212 | H211 | 90.0° | 120.0° |
| H221 | C22 | C01 | H011 | 90.0° | 175.0° |
| H222 | C22 | C01 | H011 | 90.0° | 64.9° |
| H281 | C28 | C29 | H291 | 90.0° | 66.5° |
| H281 | C28 | C29 | H292 | 90.0° | 173.5° |
| H282 | C28 | C29 | H291 | 90.0° | 53.5° |
| H282 | C28 | C29 | H292 | 90.0° | 66.5° |
| H011 | C01 | O02 | H021 | 90.0° | 180.0° |
| H011 | C01 | C03 | H032 | 90.0° | 65.0° |
| H011 | C01 | C03 | H031 | 90.0° | 175.0° |
| H072 | C07 | C08 | H081 | 90.0° | 180.0° |
| H072 | C07 | C08 | H082 | 90.0° | 60.0° |
| H071 | C07 | C08 | H081 | 90.0° | 60.0° |
| H071 | C07 | C08 | H082 | 90.0° | 180.0° |
| H081 | C08 | C09 | H092 | 90.0° | 60.0° |
| H081 | C08 | C09 | H091 | 90.0° | 180.0° |
| H082 | C08 | C09 | H092 | 90.0° | 180.0° |
| H082 | C08 | C09 | H091 | 90.0° | 60.0° |
| H111 | C11 | C12 | H121 | 90.0° | 60.1° |
| H111 | C11 | C12 | H122 | 90.0° | 180.0° |
| H112 | C11 | C12 | H121 | 90.0° | 180.0° |
| H112 | C11 | C12 | H122 | 90.0° | 60.0° |
| H182 | C18 | C19 | H191 | 90.0° | 60.0° |
| H182 | C18 | C19 | H192 | 90.0° | 180.0° |
| H181 | C18 | C19 | H191 | 90.0° | 180.0° |
| H181 | C18 | C19 | H192 | 90.0° | 60.0° |
| H312 | C31 | H311 | H313 | 90.0° | 120.0° |
| H322 | C32 | H321 | H323 | 90.0° | 119.9° |
| H331 | C33 | H333 | H332 | 90.0° | 120.0° |
