EVT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O34 | C33 | doub | 1.21Å | 1.22Å | |
| C33 | C35 | sing | 1.51Å | 1.51Å | |
| C35 | C36 | sing | 1.53Å | 1.55Å | |
| C36 | C37 | sing | 1.53Å | 1.56Å | |
| O24 | C23 | doub | 1.21Å | 1.26Å | |
| C12 | C13 | sing | 1.53Å | 1.56Å | |
| C12 | C26 | sing | 1.51Å | 1.51Å | |
| N25 | C26 | sing | 1.35Å | 1.36Å | |
| N25 | C11 | sing | 1.46Å | 1.46Å | |
| C14 | C13 | sing | 1.53Å | 1.55Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C37 | N6 | sing | 1.47Å | 1.46Å | |
| C37 | C38 | sing | 1.51Å | 1.51Å | |
| C26 | O27 | doub | 1.21Å | 1.22Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C10 | C9 | sing | 1.53Å | 1.55Å | |
| N6 | C7 | sing | 1.35Å | 1.35Å | |
| C23 | C11 | sing | 1.51Å | 1.51Å | |
| C23 | O26 | sing | 1.34Å | 1.26Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C7 | C9 | sing | 1.51Å | 1.51Å | |
| C7 | O8 | doub | 1.21Å | 1.22Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C38 | O40 | doub | 1.21Å | 1.26Å | |
| C38 | O39 | sing | 1.34Å | 1.26Å | |
| C19 | C20 | sing | 1.53Å | 1.55Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C22 | C29 | sing | 1.53Å | 1.55Å | |
| C29 | C30 | sing | 1.53Å | 1.55Å | |
| C30 | C31 | sing | 1.53Å | 1.55Å | |
| C31 | C32 | sing | 1.53Å | 1.55Å | |
| C9 | H93 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| N6 | H6 | sing | 0.97Å | 1.00Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| N25 | H25 | sing | 0.97Å | 1.00Å | |
| O26 | H1 | sing | 0.97Å | 0.95Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| O39 | H3 | sing | 0.97Å | 0.95Å | |
| C33 | OXT | sing | 1.34Å | 28.71Å | |
| OXT | H2 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O34 | C33 | C35 | 118.2° | 120.0° |
| O34 | C33 | OXT | 48.7° | 120.0° |
| C33 | C35 | C36 | 110.8° | 109.5° |
| C33 | C35 | H353 | 109.2° | 109.5° |
| C33 | C35 | H352 | 109.1° | 109.5° |
| C35 | C33 | OXT | 92.5° | 120.0° |
| C35 | C36 | C37 | 111.9° | 109.5° |
| C36 | C35 | H353 | 109.1° | 109.4° |
| C36 | C35 | H352 | 109.1° | 109.5° |
| C35 | C36 | H363 | 108.8° | 109.5° |
| C35 | C36 | H362 | 108.8° | 109.5° |
| C36 | C37 | N6 | 112.5° | 109.4° |
| C36 | C37 | C38 | 111.4° | 109.5° |
| C37 | C36 | H363 | 108.9° | 109.5° |
| C37 | C36 | H362 | 108.9° | 109.5° |
| C36 | C37 | H37 | 107.8° | 109.5° |
| O24 | C23 | C11 | 118.1° | 120.0° |
| O24 | C23 | O26 | 123.3° | 120.0° |
| C13 | C12 | C26 | 113.1° | 109.4° |
| C12 | C13 | C14 | 111.7° | 109.4° |
| C13 | C12 | H122 | 108.6° | 109.4° |
| C13 | C12 | H123 | 108.6° | 109.5° |
| C12 | C13 | H133 | 108.9° | 109.5° |
| C12 | C13 | H132 | 108.9° | 109.5° |
| C12 | C26 | N25 | 119.2° | 120.0° |
| C12 | C26 | O27 | 118.1° | 120.1° |
| C26 | C12 | H122 | 108.6° | 109.5° |
| C26 | C12 | H123 | 108.6° | 109.5° |
| C26 | N25 | C11 | 120.6° | 120.0° |
| N25 | C26 | O27 | 122.7° | 120.0° |
| C26 | N25 | H25 | 119.7° | 120.0° |
| N25 | C11 | C10 | 112.6° | 109.5° |
| N25 | C11 | C23 | 108.4° | 109.5° |
| N25 | C11 | H11 | 109.1° | 109.5° |
| C11 | N25 | H25 | 119.7° | 119.9° |
| C13 | C14 | C15 | 111.4° | 109.4° |
| C14 | C13 | H133 | 108.9° | 109.5° |
| C14 | C13 | H132 | 108.9° | 109.4° |
| C13 | C14 | H143 | 109.0° | 109.5° |
| C13 | C14 | H142 | 109.0° | 109.5° |
| C14 | C15 | C16 | 111.3° | 109.5° |
| C15 | C14 | H143 | 109.0° | 109.5° |
| C15 | C14 | H142 | 109.0° | 109.4° |
| C14 | C15 | H153 | 109.0° | 109.5° |
| C14 | C15 | H152 | 109.0° | 109.5° |
| N6 | C37 | C38 | 107.8° | 109.5° |
| C37 | N6 | C7 | 119.6° | 120.0° |
| C37 | N6 | H6 | 120.2° | 120.0° |
| N6 | C37 | H37 | 109.0° | 109.5° |
| C37 | C38 | O40 | 118.5° | 120.0° |
| C37 | C38 | O39 | 118.4° | 120.0° |
| C38 | C37 | H37 | 108.3° | 109.5° |
| C11 | C10 | C9 | 110.8° | 109.5° |
| C10 | C11 | C23 | 110.4° | 109.5° |
| C11 | C10 | H103 | 109.1° | 109.5° |
| C11 | C10 | H102 | 109.1° | 109.4° |
| C10 | C11 | H11 | 107.9° | 109.5° |
| C10 | C9 | C7 | 111.3° | 109.5° |
| C10 | C9 | H93 | 109.0° | 109.5° |
| C10 | C9 | H92 | 109.0° | 109.5° |
| C9 | C10 | H103 | 109.1° | 109.5° |
| C9 | C10 | H102 | 109.1° | 109.5° |
| N6 | C7 | C9 | 120.1° | 120.0° |
| N6 | C7 | O8 | 122.2° | 120.0° |
| C7 | N6 | H6 | 120.2° | 120.0° |
| C11 | C23 | O26 | 118.6° | 120.0° |
| C23 | C11 | H11 | 108.5° | 109.4° |
| C23 | O26 | H1 | 109.5° | 117.0° |
| C15 | C16 | C17 | 112.1° | 109.5° |
| C16 | C15 | H153 | 109.0° | 109.4° |
| C16 | C15 | H152 | 109.0° | 109.4° |
| C15 | C16 | H163 | 108.8° | 109.5° |
| C15 | C16 | H162 | 108.8° | 109.4° |
| C16 | C17 | C18 | 110.4° | 109.5° |
| C17 | C16 | H163 | 108.8° | 109.5° |
| C17 | C16 | H162 | 108.8° | 109.5° |
| C16 | C17 | H173 | 109.2° | 109.5° |
| C16 | C17 | H172 | 109.2° | 109.5° |
| C9 | C7 | O8 | 117.7° | 120.0° |
| C7 | C9 | H93 | 109.0° | 109.5° |
| C7 | C9 | H92 | 109.0° | 109.5° |
| C17 | C18 | C19 | 113.5° | 109.5° |
| C18 | C17 | H173 | 109.3° | 109.5° |
| C18 | C17 | H172 | 109.2° | 109.5° |
| C17 | C18 | H183 | 108.5° | 109.5° |
| C17 | C18 | H182 | 108.5° | 109.4° |
| C18 | C19 | C20 | 112.9° | 109.5° |
| C19 | C18 | H183 | 108.4° | 109.5° |
| C19 | C18 | H182 | 108.5° | 109.5° |
| C18 | C19 | H193 | 108.6° | 109.5° |
| C18 | C19 | H192 | 108.6° | 109.5° |
| O40 | C38 | O39 | 123.1° | 120.0° |
| C38 | O39 | H3 | 109.5° | 117.0° |
| C19 | C20 | C21 | 111.5° | 109.5° |
| C20 | C19 | H193 | 108.6° | 109.5° |
| C20 | C19 | H192 | 108.6° | 109.5° |
| C19 | C20 | H203 | 108.9° | 109.5° |
| C19 | C20 | H202 | 108.9° | 109.5° |
| C20 | C21 | C22 | 111.6° | 109.4° |
| C21 | C20 | H203 | 108.9° | 109.5° |
| C21 | C20 | H202 | 109.0° | 109.4° |
| C20 | C21 | H213 | 108.9° | 109.5° |
| C20 | C21 | H212 | 108.9° | 109.5° |
| C21 | C22 | C29 | 111.6° | 109.4° |
| C22 | C21 | H213 | 108.9° | 109.5° |
| C22 | C21 | H212 | 108.9° | 109.5° |
| C21 | C22 | H223 | 108.9° | 109.5° |
| C21 | C22 | H222 | 108.9° | 109.5° |
| C22 | C29 | C30 | 113.5° | 109.5° |
| C29 | C22 | H223 | 108.9° | 109.5° |
| C29 | C22 | H222 | 108.9° | 109.4° |
| C22 | C29 | H293 | 108.5° | 109.5° |
| C22 | C29 | H292 | 108.5° | 109.5° |
| C29 | C30 | C31 | 113.1° | 109.5° |
| C30 | C29 | H293 | 108.5° | 109.5° |
| C30 | C29 | H292 | 108.4° | 109.4° |
| C29 | C30 | H303 | 108.5° | 109.5° |
| C29 | C30 | H302 | 108.6° | 109.4° |
| C30 | C31 | C32 | 111.4° | 109.5° |
| C31 | C30 | H303 | 108.6° | 109.5° |
| C31 | C30 | H302 | 108.6° | 109.5° |
| C30 | C31 | H313 | 109.0° | 109.5° |
| C30 | C31 | H312 | 109.0° | 109.4° |
| C32 | C31 | H313 | 109.0° | 109.4° |
| C32 | C31 | H312 | 109.0° | 109.5° |
| C31 | C32 | H321 | 109.5° | 109.5° |
| C31 | C32 | H323 | 109.5° | 109.5° |
| C31 | C32 | H322 | 109.5° | 109.5° |
| H93 | C9 | H92 | 109.5° | 109.5° |
| H103 | C10 | H102 | 109.5° | 109.5° |
| H122 | C12 | H123 | 109.5° | 109.5° |
| H133 | C13 | H132 | 109.5° | 109.5° |
| H143 | C14 | H142 | 109.4° | 109.5° |
| H153 | C15 | H152 | 109.5° | 109.5° |
| H163 | C16 | H162 | 109.4° | 109.5° |
| H173 | C17 | H172 | 109.5° | 109.4° |
| H183 | C18 | H182 | 109.5° | 109.4° |
| H193 | C19 | H192 | 109.5° | 109.4° |
| H203 | C20 | H202 | 109.5° | 109.5° |
| H213 | C21 | H212 | 109.5° | 109.5° |
| H223 | C22 | H222 | 109.5° | 109.5° |
| H293 | C29 | H292 | 109.5° | 109.5° |
| H303 | C30 | H302 | 109.4° | 109.5° |
| H313 | C31 | H312 | 109.5° | 109.5° |
| H321 | C32 | H323 | 109.5° | 109.4° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H323 | C32 | H322 | 109.5° | 109.5° |
| H353 | C35 | H352 | 109.5° | 109.5° |
| H363 | C36 | H362 | 109.5° | 109.5° |
| C33 | OXT | H2 | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O34 | C33 | C35 | OXT | 43.4° | 179.9° |
| O34 | C33 | C35 | C36 | 94.4° | 0.0° |
| O34 | C33 | C35 | H353 | 25.8° | 119.9° |
| O34 | C33 | C35 | H352 | 145.4° | 120.0° |
| O34 | C33 | OXT | H2 | 90.0° | 0.1° |
| C33 | C35 | C36 | H353 | 120.2° | 120.0° |
| C33 | C35 | C36 | H352 | 120.2° | 120.0° |
| C33 | C35 | C36 | C37 | 173.5° | 180.0° |
| C33 | C35 | H353 | H352 | 119.4° | 120.0° |
| C33 | C35 | C36 | H363 | 66.2° | 60.0° |
| C33 | C35 | C36 | H362 | 53.1° | 60.0° |
| C35 | C33 | OXT | H2 | 90.0° | 180.0° |
| C35 | C36 | C37 | H363 | 120.3° | 120.0° |
| C35 | C36 | C37 | H362 | 120.4° | 120.0° |
| C35 | C36 | C37 | N6 | 177.3° | 65.0° |
| C35 | C36 | C37 | C38 | 61.6° | 175.0° |
| C36 | C35 | H353 | H352 | 119.4° | 120.0° |
| C35 | C36 | H363 | H362 | 118.9° | 120.0° |
| C35 | C36 | C37 | H37 | 57.1° | 55.0° |
| C36 | C35 | C33 | OXT | 137.8° | 180.0° |
| C36 | C37 | N6 | C38 | 123.2° | 120.0° |
| C36 | C37 | N6 | H37 | 119.5° | 120.0° |
| C36 | C37 | C38 | H37 | 118.4° | 120.0° |
| C36 | C37 | N6 | C7 | 171.3° | 155.0° |
| C36 | C37 | C38 | O40 | 43.3° | 120.0° |
| C36 | C37 | C38 | O39 | 137.0° | 60.1° |
| C36 | C37 | N6 | H6 | 8.7° | 25.0° |
| C37 | C36 | C35 | H353 | 53.3° | 60.0° |
| C37 | C36 | C35 | H352 | 66.3° | 60.0° |
| C37 | C36 | H363 | H362 | 118.9° | 120.0° |
| O24 | C23 | C11 | N25 | 57.5° | 0.0° |
| O24 | C23 | C11 | C10 | 66.2° | 120.0° |
| O24 | C23 | C11 | O26 | 179.8° | 180.0° |
| O24 | C23 | C11 | H11 | 175.8° | 120.0° |
| O24 | C23 | O26 | H1 | 0.0° | 0.1° |
| C13 | C12 | C26 | H122 | 120.5° | 120.0° |
| C13 | C12 | C26 | H123 | 120.5° | 120.0° |
| C13 | C12 | C26 | N25 | 153.5° | 180.0° |
| C12 | C13 | C14 | H133 | 120.3° | 120.0° |
| C12 | C13 | C14 | H132 | 120.4° | 120.0° |
| C12 | C13 | C14 | C15 | 168.0° | 180.0° |
| C13 | C12 | C26 | O27 | 26.9° | 0.0° |
| C13 | C12 | H122 | H123 | 118.3° | 120.0° |
| C12 | C13 | H133 | H132 | 119.0° | 120.0° |
| C12 | C13 | C14 | H143 | 47.7° | 60.0° |
| C12 | C13 | C14 | H142 | 71.7° | 60.1° |
| C12 | C26 | N25 | O27 | 179.6° | 179.9° |
| C12 | C26 | N25 | C11 | 179.6° | 180.0° |
| C26 | C12 | C13 | C14 | 62.8° | 179.9° |
| C26 | C12 | H122 | H123 | 118.4° | 120.0° |
| C26 | C12 | C13 | H133 | 176.9° | 60.0° |
| C26 | C12 | C13 | H132 | 57.6° | 60.0° |
| C12 | C26 | N25 | H25 | 0.5° | 0.0° |
| C26 | N25 | C11 | H25 | 180.0° | 179.9° |
| C26 | N25 | C11 | C10 | 143.6° | 155.0° |
| C26 | N25 | C11 | C23 | 94.0° | 85.0° |
| C26 | N25 | C11 | H11 | 23.9° | 35.0° |
| N25 | C26 | C12 | H122 | 85.9° | 60.0° |
| N25 | C26 | C12 | H123 | 33.0° | 60.1° |
| C11 | N25 | C26 | O27 | 0.0° | 0.0° |
| N25 | C11 | C10 | C23 | 121.3° | 120.0° |
| N25 | C11 | C10 | H11 | 120.4° | 120.0° |
| N25 | C11 | C10 | C9 | 177.0° | 65.0° |
| N25 | C11 | C23 | H11 | 118.3° | 119.9° |
| N25 | C11 | C23 | O26 | 122.3° | 180.0° |
| N25 | C11 | C10 | H103 | 56.8° | 175.0° |
| N25 | C11 | C10 | H102 | 62.8° | 55.0° |
| C13 | C14 | C15 | H143 | 120.3° | 120.0° |
| C13 | C14 | C15 | H142 | 120.3° | 120.0° |
| C13 | C14 | C15 | C16 | 177.2° | 180.0° |
| C14 | C13 | C12 | H122 | 176.7° | 60.0° |
| C14 | C13 | C12 | H123 | 57.8° | 60.0° |
| C14 | C13 | H133 | H132 | 119.0° | 120.0° |
| C13 | C14 | H143 | H142 | 119.1° | 120.0° |
| C13 | C14 | C15 | H153 | 62.5° | 60.0° |
| C13 | C14 | C15 | H152 | 56.9° | 60.1° |
| C14 | C15 | C16 | H153 | 120.3° | 120.0° |
| C14 | C15 | C16 | H152 | 120.3° | 120.0° |
| C14 | C15 | C16 | C17 | 176.1° | 180.0° |
| C15 | C14 | C13 | H133 | 71.7° | 60.0° |
| C15 | C14 | C13 | H132 | 47.7° | 60.0° |
| C15 | C14 | H143 | H142 | 119.1° | 120.0° |
| C14 | C15 | H153 | H152 | 119.1° | 120.1° |
| C14 | C15 | C16 | H163 | 55.7° | 60.0° |
| C14 | C15 | C16 | H162 | 63.5° | 60.0° |
| N6 | C37 | C38 | H37 | 117.8° | 120.0° |
| C37 | N6 | C7 | H6 | 180.0° | 180.0° |
| C37 | N6 | C7 | C9 | 175.1° | 180.0° |
| C37 | N6 | C7 | O8 | 4.4° | 0.3° |
| N6 | C37 | C38 | O40 | 80.6° | 0.1° |
| N6 | C37 | C38 | O39 | 99.2° | 180.0° |
| N6 | C37 | C36 | H363 | 62.4° | 175.0° |
| N6 | C37 | C36 | H362 | 56.9° | 55.0° |
| C38 | C37 | N6 | C7 | 65.5° | 85.0° |
| C37 | C38 | O40 | O39 | 179.8° | 179.9° |
| C38 | C37 | N6 | H6 | 114.5° | 95.0° |
| C38 | C37 | C36 | H363 | 58.7° | 55.0° |
| C38 | C37 | C36 | H362 | 178.0° | 65.0° |
| C37 | C38 | O39 | H3 | 179.8° | 180.0° |
| O27 | C26 | C12 | H122 | 93.7° | 119.9° |
| O27 | C26 | C12 | H123 | 147.4° | 120.0° |
| O27 | C26 | N25 | H25 | 179.9° | 179.9° |
| C11 | C10 | C9 | H103 | 120.2° | 120.0° |
| C11 | C10 | C9 | H102 | 120.2° | 120.0° |
| C10 | C11 | C23 | H11 | 118.0° | 120.0° |
| C10 | C11 | C23 | O26 | 114.0° | 60.0° |
| C11 | C10 | C9 | C7 | 168.8° | 180.0° |
| C11 | C10 | C9 | H93 | 70.9° | 59.9° |
| C11 | C10 | C9 | H92 | 48.5° | 60.0° |
| C11 | C10 | H103 | H102 | 119.4° | 120.0° |
| C10 | C11 | N25 | H25 | 36.4° | 25.0° |
| C10 | C9 | C7 | N6 | 94.6° | 179.7° |
| C9 | C10 | C11 | C23 | 61.7° | 175.0° |
| C10 | C9 | C7 | H93 | 120.3° | 120.0° |
| C10 | C9 | C7 | H92 | 120.3° | 120.0° |
| C10 | C9 | C7 | O8 | 86.0° | 0.0° |
| C10 | C9 | H93 | H92 | 119.1° | 120.0° |
| C9 | C10 | H103 | H102 | 119.4° | 120.0° |
| C9 | C10 | C11 | H11 | 56.6° | 55.0° |
| N6 | C7 | C9 | O8 | 179.5° | 179.7° |
| N6 | C7 | C9 | H93 | 25.7° | 60.3° |
| N6 | C7 | C9 | H92 | 145.1° | 59.7° |
| C7 | N6 | C37 | H37 | 51.9° | 35.1° |
| C23 | C11 | C10 | H103 | 178.1° | 55.0° |
| C23 | C11 | C10 | H102 | 58.5° | 65.0° |
| C23 | C11 | N25 | H25 | 86.0° | 95.1° |
| C11 | C23 | O26 | H1 | 179.8° | 179.9° |
| O26 | C23 | C11 | H11 | 4.0° | 60.0° |
| C15 | C16 | C17 | H163 | 120.4° | 120.0° |
| C15 | C16 | C17 | H162 | 120.4° | 120.0° |
| C15 | C16 | C17 | C18 | 175.2° | 180.0° |
| C16 | C15 | C14 | H143 | 57.0° | 60.0° |
| C16 | C15 | C14 | H142 | 62.5° | 60.0° |
| C16 | C15 | H153 | H152 | 119.2° | 119.9° |
| C15 | C16 | H163 | H162 | 118.8° | 120.0° |
| C15 | C16 | C17 | H173 | 64.7° | 60.0° |
| C15 | C16 | C17 | H172 | 55.0° | 60.0° |
| C16 | C17 | C18 | H173 | 120.1° | 120.0° |
| C16 | C17 | C18 | H172 | 120.1° | 120.0° |
| C16 | C17 | C18 | C19 | 178.9° | 180.0° |
| C17 | C16 | C15 | H153 | 63.6° | 60.0° |
| C17 | C16 | C15 | H152 | 55.8° | 60.0° |
| C17 | C16 | H163 | H162 | 118.8° | 120.1° |
| C16 | C17 | H173 | H172 | 119.6° | 120.0° |
| C16 | C17 | C18 | H183 | 58.3° | 60.0° |
| C16 | C17 | C18 | H182 | 60.5° | 60.0° |
| C7 | C9 | H93 | H92 | 119.2° | 120.0° |
| C7 | C9 | C10 | H103 | 48.6° | 60.0° |
| C7 | C9 | C10 | H102 | 71.0° | 60.0° |
| C9 | C7 | N6 | H6 | 5.0° | 0.0° |
| O8 | C7 | C9 | H93 | 153.8° | 120.0° |
| O8 | C7 | C9 | H92 | 34.3° | 120.0° |
| O8 | C7 | N6 | H6 | 175.6° | 179.7° |
| C17 | C18 | C19 | H183 | 120.6° | 120.1° |
| C17 | C18 | C19 | H182 | 120.6° | 120.0° |
| C17 | C18 | C19 | C20 | 60.7° | 180.0° |
| C18 | C17 | C16 | H163 | 54.7° | 60.0° |
| C18 | C17 | C16 | H162 | 64.5° | 60.1° |
| C18 | C17 | H173 | H172 | 119.6° | 120.0° |
| C17 | C18 | H183 | H182 | 118.2° | 120.0° |
| C17 | C18 | C19 | H193 | 178.7° | 60.0° |
| C17 | C18 | C19 | H192 | 59.8° | 60.0° |
| C18 | C19 | C20 | H193 | 120.5° | 120.0° |
| C18 | C19 | C20 | H192 | 120.5° | 120.0° |
| C18 | C19 | C20 | C21 | 159.1° | 180.0° |
| C19 | C18 | C17 | H173 | 61.0° | 60.0° |
| C19 | C18 | C17 | H172 | 58.8° | 60.0° |
| C19 | C18 | H183 | H182 | 118.2° | 120.0° |
| C18 | C19 | H193 | H192 | 118.4° | 120.0° |
| C18 | C19 | C20 | H203 | 80.6° | 60.0° |
| C18 | C19 | C20 | H202 | 38.8° | 60.0° |
| O40 | C38 | C37 | H37 | 161.7° | 120.0° |
| O40 | C38 | O39 | H3 | 0.0° | 0.1° |
| O39 | C38 | C37 | H37 | 18.6° | 59.9° |
| C19 | C20 | C21 | H203 | 120.3° | 120.0° |
| C19 | C20 | C21 | H202 | 120.3° | 120.0° |
| C19 | C20 | C21 | C22 | 179.4° | 180.0° |
| C20 | C19 | C18 | H183 | 59.9° | 60.0° |
| C20 | C19 | C18 | H182 | 178.7° | 60.0° |
| C20 | C19 | H193 | H192 | 118.5° | 120.0° |
| C19 | C20 | H203 | H202 | 119.0° | 120.0° |
| C19 | C20 | C21 | H213 | 59.1° | 60.0° |
| C19 | C20 | C21 | H212 | 60.3° | 60.0° |
| C20 | C21 | C22 | H213 | 120.3° | 120.0° |
| C20 | C21 | C22 | H212 | 120.3° | 120.0° |
| C20 | C21 | C22 | C29 | 173.7° | 180.0° |
| C21 | C20 | C19 | H193 | 38.6° | 60.0° |
| C21 | C20 | C19 | H192 | 80.4° | 60.0° |
| C21 | C20 | H203 | H202 | 119.1° | 120.0° |
| C20 | C21 | H213 | H212 | 119.0° | 120.0° |
| C20 | C21 | C22 | H223 | 66.0° | 60.0° |
| C20 | C21 | C22 | H222 | 53.4° | 60.0° |
| C21 | C22 | C29 | H223 | 120.3° | 120.0° |
| C21 | C22 | C29 | H222 | 120.3° | 120.0° |
| C21 | C22 | C29 | C30 | 173.4° | 180.0° |
| C22 | C21 | C20 | H203 | 60.3° | 60.0° |
| C22 | C21 | C20 | H202 | 59.1° | 60.0° |
| C22 | C21 | H213 | H212 | 119.0° | 120.0° |
| C21 | C22 | H223 | H222 | 119.0° | 120.1° |
| C21 | C22 | C29 | H293 | 52.8° | 60.0° |
| C21 | C22 | C29 | H292 | 66.0° | 60.0° |
| C22 | C29 | C30 | H293 | 120.6° | 120.1° |
| C22 | C29 | C30 | H292 | 120.6° | 120.0° |
| C22 | C29 | C30 | C31 | 75.0° | 180.0° |
| C29 | C22 | C21 | H213 | 53.4° | 60.0° |
| C29 | C22 | C21 | H212 | 66.0° | 60.0° |
| C29 | C22 | H223 | H222 | 119.0° | 120.0° |
| C22 | C29 | H293 | H292 | 118.2° | 120.0° |
| C22 | C29 | C30 | H303 | 45.6° | 59.9° |
| C22 | C29 | C30 | H302 | 164.4° | 60.0° |
| C29 | C30 | C31 | H303 | 120.5° | 120.0° |
| C29 | C30 | C31 | H302 | 120.6° | 119.9° |
| C29 | C30 | C31 | C32 | 175.9° | 179.9° |
| C30 | C29 | C22 | H223 | 66.2° | 60.0° |
| C30 | C29 | C22 | H222 | 53.1° | 60.0° |
| C30 | C29 | H293 | H292 | 118.2° | 119.9° |
| C29 | C30 | H303 | H302 | 118.3° | 119.9° |
| C29 | C30 | C31 | H313 | 63.8° | 60.0° |
| C29 | C30 | C31 | H312 | 55.7° | 60.0° |
| C30 | C31 | C32 | H313 | 120.3° | 120.0° |
| C30 | C31 | C32 | H312 | 120.3° | 120.0° |
| C31 | C30 | C29 | H293 | 164.4° | 59.9° |
| C31 | C30 | C29 | H292 | 45.6° | 60.0° |
| C31 | C30 | H303 | H302 | 118.3° | 120.0° |
| C30 | C31 | H313 | H312 | 119.2° | 120.0° |
| C30 | C31 | C32 | H321 | 180.0° | 60.0° |
| C30 | C31 | C32 | H323 | 60.0° | 59.9° |
| C30 | C31 | C32 | H322 | 60.0° | 180.0° |
| C32 | C31 | C30 | H303 | 55.4° | 60.0° |
| C32 | C31 | C30 | H302 | 63.5° | 60.0° |
| C32 | C31 | H313 | H312 | 119.1° | 120.0° |
| C31 | C32 | H321 | H323 | 120.0° | 120.0° |
| C31 | C32 | H321 | H322 | 120.0° | 120.0° |
| C31 | C32 | H323 | H322 | 120.0° | 120.1° |
| H93 | C9 | C10 | H103 | 168.9° | 180.0° |
| H93 | C9 | C10 | H102 | 49.3° | 60.0° |
| H92 | C9 | C10 | H103 | 71.7° | 60.0° |
| H92 | C9 | C10 | H102 | 168.7° | NaN° |
| H103 | C10 | C11 | H11 | 63.6° | 65.0° |
| H102 | C10 | C11 | H11 | 176.9° | 175.0° |
| H11 | C11 | N25 | H25 | 156.1° | 145.0° |
| H122 | C12 | C13 | H133 | 56.3° | 60.0° |
| H122 | C12 | C13 | H132 | 63.0° | 180.0° |
| H123 | C12 | C13 | H133 | 62.6° | 180.0° |
| H123 | C12 | C13 | H132 | 178.1° | 59.9° |
| H133 | C13 | C14 | H143 | 168.1° | 180.0° |
| H133 | C13 | C14 | H142 | 48.7° | 59.9° |
| H132 | C13 | C14 | H143 | 72.6° | 60.0° |
| H132 | C13 | C14 | H142 | 168.0° | 180.0° |
| H143 | C14 | C15 | H153 | 177.2° | 179.9° |
| H143 | C14 | C15 | H152 | 63.4° | 60.0° |
| H142 | C14 | C15 | H153 | 57.8° | 59.9° |
| H142 | C14 | C15 | H152 | 177.2° | 180.0° |
| H153 | C15 | C16 | H163 | 176.0° | 180.0° |
| H153 | C15 | C16 | H162 | 56.8° | 60.0° |
| H152 | C15 | C16 | H163 | 64.6° | 60.0° |
| H152 | C15 | C16 | H162 | 176.2° | 180.0° |
| H6 | N6 | C37 | H37 | 128.1° | 145.0° |
| H163 | C16 | C17 | H173 | 174.9° | 180.0° |
| H163 | C16 | C17 | H172 | 65.4° | 60.0° |
| H162 | C16 | C17 | H173 | 55.7° | 60.0° |
| H162 | C16 | C17 | H172 | 175.4° | 179.9° |
| H173 | C17 | C18 | H183 | 178.4° | 180.0° |
| H173 | C17 | C18 | H182 | 59.6° | 60.0° |
| H172 | C17 | C18 | H183 | 61.8° | 60.0° |
| H172 | C17 | C18 | H182 | 179.3° | 180.0° |
| H183 | C18 | C19 | H193 | 60.7° | 180.0° |
| H183 | C18 | C19 | H192 | 179.6° | 60.1° |
| H182 | C18 | C19 | H193 | 58.2° | 60.0° |
| H182 | C18 | C19 | H192 | 60.8° | 180.0° |
| H193 | C19 | C20 | H203 | 158.9° | 180.0° |
| H193 | C19 | C20 | H202 | 81.7° | 60.0° |
| H192 | C19 | C20 | H203 | 39.9° | 60.0° |
| H192 | C19 | C20 | H202 | 159.3° | 180.0° |
| H203 | C20 | C21 | H213 | 179.4° | 180.0° |
| H203 | C20 | C21 | H212 | 60.0° | 60.0° |
| H202 | C20 | C21 | H213 | 61.2° | 60.0° |
| H202 | C20 | C21 | H212 | 179.4° | 180.0° |
| H213 | C21 | C22 | H223 | 173.7° | NaN° |
| H213 | C21 | C22 | H222 | 66.9° | 59.9° |
| H212 | C21 | C22 | H223 | 54.3° | 59.9° |
| H212 | C21 | C22 | H222 | 173.7° | 180.0° |
| H223 | C22 | C29 | H293 | 173.1° | 180.0° |
| H223 | C22 | C29 | H292 | 54.3° | 59.9° |
| H222 | C22 | C29 | H293 | 67.5° | 60.0° |
| H222 | C22 | C29 | H292 | 173.7° | 180.0° |
| H293 | C29 | C30 | H303 | 75.1° | 180.0° |
| H293 | C29 | C30 | H302 | 43.8° | 60.0° |
| H292 | C29 | C30 | H303 | 166.1° | 60.0° |
| H292 | C29 | C30 | H302 | 75.0° | 180.0° |
| H303 | C30 | C31 | H313 | 175.7° | 180.0° |
| H303 | C30 | C31 | H312 | 64.9° | 60.0° |
| H302 | C30 | C31 | H313 | 56.8° | 59.9° |
| H302 | C30 | C31 | H312 | 176.2° | 180.0° |
| H313 | C31 | C32 | H321 | 59.7° | 180.0° |
| H313 | C31 | C32 | H323 | 179.7° | 60.0° |
| H313 | C31 | C32 | H322 | 60.3° | 60.0° |
| H312 | C31 | C32 | H321 | 59.7° | 60.0° |
| H312 | C31 | C32 | H323 | 60.3° | 179.9° |
| H312 | C31 | C32 | H322 | 179.7° | 60.0° |
| H321 | C32 | H323 | H322 | 120.0° | 120.0° |
| H353 | C35 | C36 | H363 | 173.6° | 180.0° |
| H353 | C35 | C36 | H362 | 67.1° | 60.0° |
| H353 | C35 | C33 | OXT | 17.6° | 60.0° |
| H352 | C35 | C36 | H363 | 54.0° | 60.0° |
| H352 | C35 | C36 | H362 | 173.3° | NaN° |
| H352 | C35 | C33 | OXT | 102.0° | 60.0° |
| H363 | C36 | C37 | H37 | 177.5° | 65.0° |
| H362 | C36 | C37 | H37 | 63.2° | 175.0° |
