| O2—C2 | 1.240 (3) | C31—C32 | 1.489 (4) |
| O3—C31 | 1.218 (3) | C4—H4 | 0.9500 |
| O11—C12 | 1.195 (3) | C5—H5 | 0.9500 |
| O12—C12 | 1.316 (3) | C6—H6 | 0.9500 |
| O12—C13 | 1.490 (3) | C11—H111 | 0.9500 |
| N1—C2 | 1.378 (3) | C11—H112 | 0.9500 |
| N1—C6 | 1.377 (3) | C14—H14A | 0.9600 |
| N1—C11 | 1.453 (3) | C14—H14B | 0.9600 |
| N3—C3 | 1.399 (3) | C14—H14C | 0.9600 |
| N3—C31 | 1.362 (3) | C15—H15A | 0.9600 |
| N3—H3 | 0.8600 | C15—H15B | 0.9600 |
| C2—C3 | 1.450 (3) | C15—H15C | 0.9600 |
| C3—C4 | 1.361 (3) | C16—H16A | 0.9600 |
| C4—C5 | 1.402 (4) | C16—H16B | 0.9600 |
| C5—C6 | 1.333 (4) | C16—H16C | 0.9600 |
| C11—C12 | 1.512 (3) | C32—H32A | 0.9600 |
| C13—C14 | 1.507 (4) | C32—H32B | 0.9600 |
| C13—C16 | 1.494 (4) | C32—H32C | 0.9600 |
| C13—C15 | 1.503 (4) | ||
| O2···N3 | 2.694 (2) | C31···H4 | 2.7800 |
| O2···C12 | 3.233 (3) | C32···H112i | 3.0200 |
| O2···C32i | 3.222 (3) | H3···O2 | 2.3100 |
| O2···N3i | 3.164 (3) | H3···H32C | 2.1500 |
| O3···C4 | 2.830 (3) | H3···O2i | 2.3400 |
| O11···C2 | 3.130 (3) | H4···O3 | 2.2300 |
| O11···N1 | 2.744 (3) | H4···C31 | 2.7800 |
| O11···C15 | 2.980 (4) | H4···O11vi | 2.8200 |
| O11···C16 | 2.978 (5) | H5···O11vi | 2.7100 |
| O11···C5ii | 3.319 (4) | H5···C5vi | 3.0500 |
| O11···C4ii | 3.379 (3) | H5···C6vi | 3.0200 |
| O2···H3 | 2.3100 | H6···O11vii | 2.7200 |
| O2···H32Ci | 2.3300 | H6···H111 | 2.3100 |
| O2···H112 | 2.4200 | H6···C4vi | 3.0300 |
| O2···H3i | 2.3400 | H14A···O3viii | 2.5600 |
| O3···H4 | 2.2300 | H14A···H15C | 2.4600 |
| O3···H14Aiii | 2.5600 | H14A···H16B | 2.5100 |
| O3···H15Bii | 2.8800 | H14B···C16vii | 2.9800 |
| O11···H16A | 2.4400 | H14B···H15B | 2.5100 |
| O11···H6iv | 2.7200 | H14B···H16Bvii | 2.3100 |
| O11···H15A | 2.4400 | H14C···H16C | 2.4600 |
| O11···H4ii | 2.8200 | H15A···O11 | 2.4400 |
| O11···H5ii | 2.7100 | H15A···C12 | 2.7900 |
| N1···O11 | 2.744 (3) | H15A···H16A | 2.4200 |
| N3···O2 | 2.694 (2) | H15B···C12 | 3.0800 |
| N3···O2i | 3.164 (3) | H15B···H14B | 2.5100 |
| N3···H112v | 2.9400 | H15B···O3vi | 2.8800 |
| C2···O11 | 3.130 (3) | H15C···H14A | 2.4600 |
| C2···C2v | 3.441 (3) | H16A···O11 | 2.4400 |
| C4···O3 | 2.830 (3) | H16A···C12 | 2.8300 |
| C4···O11vi | 3.379 (3) | H16A···H15A | 2.4200 |
| C5···O11vi | 3.319 (4) | H16B···H14A | 2.5100 |
| C12···O2 | 3.233 (3) | H16B···H14Biv | 2.3100 |
| C15···O11 | 2.980 (4) | H16C···H14C | 2.4600 |
| C16···O11 | 2.978 (5) | H32B···C4iv | 3.0800 |
| C32···O2i | 3.222 (3) | H32C···H3 | 2.1500 |
| C4···H32Bvii | 3.0800 | H32C···O2i | 2.3300 |
| C4···H6ii | 3.0300 | H32C···C11i | 3.0300 |
| C5···H5ii | 3.0500 | H32C···C12i | 3.0900 |
| C6···H5ii | 3.0200 | H32C···H112i | 2.3400 |
| C11···H32Ci | 3.0300 | H111···H6 | 2.3100 |
| C12···H15A | 2.7900 | H112···O2 | 2.4200 |
| C12···H32Ci | 3.0900 | H112···N3v | 2.9400 |
| C12···H16A | 2.8300 | H112···C32i | 3.0200 |
| C12···H15B | 3.0800 | H112···H32Ci | 2.3400 |
| C16···H14Biv | 2.9800 | ||
| C12—O12—C13 | 121.10 (18) | C6—C5—H5 | 120.00 |
| C2—N1—C6 | 123.04 (19) | N1—C6—H6 | 120.00 |
| C2—N1—C11 | 117.79 (18) | C5—C6—H6 | 120.00 |
| C6—N1—C11 | 119.00 (19) | N1—C11—H111 | 109.00 |
| C3—N3—C31 | 126.7 (2) | N1—C11—H112 | 109.00 |
| C3—N3—H3 | 117.00 | C12—C11—H111 | 109.00 |
| C31—N3—H3 | 117.00 | C12—C11—H112 | 109.00 |
| N1—C2—C3 | 115.51 (19) | H111—C11—H112 | 109.00 |
| O2—C2—N1 | 120.98 (19) | C13—C14—H14A | 109.00 |
| O2—C2—C3 | 123.5 (2) | C13—C14—H14B | 109.00 |
| N3—C3—C2 | 113.04 (19) | C13—C14—H14C | 109.00 |
| N3—C3—C4 | 126.5 (2) | H14A—C14—H14B | 110.00 |
| C2—C3—C4 | 120.5 (2) | H14A—C14—H14C | 109.00 |
| C3—C4—C5 | 120.4 (2) | H14B—C14—H14C | 109.00 |
| C4—C5—C6 | 120.0 (3) | C13—C15—H15A | 110.00 |
| N1—C6—C5 | 120.6 (2) | C13—C15—H15B | 109.00 |
| N1—C11—C12 | 111.23 (19) | C13—C15—H15C | 110.00 |
| O11—C12—C11 | 124.2 (2) | H15A—C15—H15B | 109.00 |
| O11—C12—O12 | 125.7 (2) | H15A—C15—H15C | 109.00 |
| O12—C12—C11 | 110.02 (19) | H15B—C15—H15C | 109.00 |
| O12—C13—C15 | 108.9 (2) | C13—C16—H16A | 109.00 |
| O12—C13—C14 | 103.0 (2) | C13—C16—H16B | 109.00 |
| C14—C13—C16 | 110.8 (3) | C13—C16—H16C | 109.00 |
| C15—C13—C16 | 113.3 (3) | H16A—C16—H16B | 109.00 |
| O12—C13—C16 | 109.9 (2) | H16A—C16—H16C | 109.00 |
| C14—C13—C15 | 110.5 (2) | H16B—C16—H16C | 109.00 |
| N3—C31—C32 | 115.7 (2) | C31—C32—H32A | 109.00 |
| O3—C31—N3 | 122.5 (2) | C31—C32—H32B | 109.00 |
| O3—C31—C32 | 121.8 (2) | C31—C32—H32C | 109.00 |
| C3—C4—H4 | 120.00 | H32A—C32—H32B | 109.00 |
| C5—C4—H4 | 120.00 | H32A—C32—H32C | 109.00 |
| C4—C5—H5 | 120.00 | H32B—C32—H32C | 110.00 |
| C13—O12—C12—O11 | −5.0 (4) | C31—N3—C3—C4 | 1.5 (4) |
| C13—O12—C12—C11 | 175.59 (19) | C3—N3—C31—O3 | 1.4 (4) |
| C12—O12—C13—C14 | −177.9 (2) | C3—N3—C31—C32 | −179.6 (2) |
| C12—O12—C13—C15 | −60.6 (3) | O2—C2—C3—N3 | −1.0 (3) |
| C12—O12—C13—C16 | 64.0 (3) | O2—C2—C3—C4 | 178.7 (2) |
| C6—N1—C2—O2 | −180.0 (2) | N1—C2—C3—N3 | 178.89 (19) |
| C6—N1—C2—C3 | 0.2 (3) | N1—C2—C3—C4 | −1.4 (3) |
| C11—N1—C2—O2 | −4.9 (3) | N3—C3—C4—C5 | −178.3 (2) |
| C11—N1—C2—C3 | 175.25 (19) | C2—C3—C4—C5 | 2.0 (4) |
| C2—N1—C6—C5 | 0.6 (4) | C3—C4—C5—C6 | −1.3 (4) |
| C11—N1—C6—C5 | −174.5 (2) | C4—C5—C6—N1 | 0.0 (4) |
| C2—N1—C11—C12 | −81.1 (2) | N1—C11—C12—O11 | 11.0 (3) |
| C6—N1—C11—C12 | 94.2 (2) | N1—C11—C12—O12 | −169.61 (18) |
| C31—N3—C3—C2 | −178.8 (2) |