S1—O12	1.456 (6)	N11B—H11F	1.0300
S1—O6	1.457 (5)	N11B—H11D	1.0300
S1—O2	1.469 (6)	N11B—C17	1.40 (2)
S1—O5	1.487 (5)	N16—H16B	1.019 (8)
O3—H3	1.06 (4)	N16—H16C	1.026 (7)
O3—C13	1.277 (5)	N16—H16A	1.036 (9)
O3—H15i	1.386 (12)	N16—C14	1.459 (4)
H3—H15i	0.37 (4)	N21—H21C	1.014 (8)
O4—C13	1.226 (5)	N21—H21B	1.016 (7)
O7—C18	1.208 (5)	N21—H21A	1.019 (10)
O9—H9	1.029 (7)	N21—C20	1.464 (4)
O9—C19	1.298 (4)	C13—C20	1.508 (4)
O10—C19	1.204 (5)	C14—H14A	1.082 (9)
O15—H15	1.066 (12)	C14—H14B	1.093 (11)
O15—C18	1.291 (5)	C14—C18	1.507 (5)
N11—H11B	1.010 (12)	C17—H17A	1.061 (10)
N11—H11A	1.022 (11)	C17—H17B	1.070 (9)
N11—H11C	1.050 (9)	C17—C19	1.503 (4)
N11—C17	1.474 (4)	C20—H20B	1.068 (10)
N11B—H11E	1.0300	C20—H20A	1.074 (12)
O12—S1—O6	111.5 (4)	H21B—N21—H21A	106.0 (8)
O12—S1—O2	109.8 (3)	H21C—N21—C20	110.0 (7)
O6—S1—O2	110.4 (4)	H21B—N21—C20	111.3 (7)
O12—S1—O5	108.0 (4)	H21A—N21—C20	109.6 (6)
O6—S1—O5	110.1 (3)	O4—C13—O3	125.8 (4)
O2—S1—O5	107.0 (4)	O4—C13—C20	120.4 (3)
H3—O3—C13	109.5	O3—C13—C20	113.7 (3)
H3—O3—H15i	8.0	H14A—C14—H14B	108.9 (12)
C13—O3—H15i	117.4 (6)	H14A—C14—N16	108.7 (7)
H15i—H3—O3	149 (4)	H14B—C14—N16	109.3 (8)
H9—O9—C19	113.0 (5)	H14A—C14—C18	109.3 (7)
H15—O15—C18	112.7 (7)	H14B—C14—C18	109.5 (7)
H15—O15—H3ii	6 (3)	N16—C14—C18	111.1 (3)
C18—O15—H3ii	118.9 (11)	H17A—C17—H17B	108.4 (12)
H3ii—H15—O15	155.4	H17A—C17—N11B	133.1 (12)
H11B—N11—H11A	105.0 (11)	H17B—C17—N11B	82.1 (14)
H11B—N11—H11C	106.7 (10)	H17A—C17—N11	107.1 (7)
H11A—N11—H11C	108.5 (9)	H17B—C17—N11	110.1 (9)
H11B—N11—C17	113.7 (10)	H17A—C17—C19	109.7 (7)
H11A—N11—C17	110.9 (6)	H17B—C17—C19	109.6 (7)
H11C—N11—C17	111.7 (6)	N11B—C17—C19	108.9 (8)
H11E—N11B—H11F	109.5	N11—C17—C19	111.8 (2)
H11E—N11B—H11D	109.5	O7—C18—O15	126.0 (4)
H11F—N11B—H11D	109.5	O7—C18—C14	121.7 (3)
H11E—N11B—C17	109.5	O15—C18—C14	112.3 (4)
H11F—N11B—C17	109.5	O10—C19—O9	124.2 (3)
H11D—N11B—C17	109.5	O10—C19—C17	121.7 (3)
H16B—N16—H16C	109.5 (7)	O9—C19—C17	114.1 (3)
H16B—N16—H16A	110.6 (10)	H20B—C20—H20A	108.2 (13)
H16C—N16—H16A	105.9 (7)	H20B—C20—N21	108.3 (7)
H16B—N16—C14	110.3 (7)	H20A—C20—N21	109.6 (8)
H16C—N16—C14	111.4 (6)	H20B—C20—C13	109.7 (7)
H16A—N16—C14	109.0 (6)	H20A—C20—C13	109.6 (8)
H21C—N21—H21B	108.5 (7)	N21—C20—C13	111.4 (3)
H21C—N21—H21A	111.3 (10)
C13—O3—H3—H15i	176.0	H3ii—O15—C18—O7	−6.9
C18—O15—H15—H3ii	−169.8	H15—O15—C18—C14	173.9 (7)
H3—O3—C13—O4	3.4	H3ii—O15—C18—C14	172.7
H15i—O3—C13—O4	4.0 (8)	H14A—C14—C18—O7	119.8 (9)
H3—O3—C13—C20	−176.7	H14B—C14—C18—O7	−120.9 (10)
H15i—O3—C13—C20	−176.1 (6)	N16—C14—C18—O7	−0.1 (5)
H16B—N16—C14—H14A	−178.9 (11)	H14A—C14—C18—O15	−59.8 (9)
H16C—N16—C14—H14A	59.2 (10)	H14B—C14—C18—O15	59.4 (9)
H16A—N16—C14—H14A	−57.3 (11)	N16—C14—C18—O15	−179.8 (4)
H16B—N16—C14—H14B	62.3 (11)	H9—O9—C19—O10	3.6 (9)
H16C—N16—C14—H14B	−59.6 (9)	H9—O9—C19—C17	−177.0 (7)
H16A—N16—C14—H14B	−176.1 (10)	H17A—C17—C19—O10	−42.0 (9)
H16B—N16—C14—C18	−58.6 (8)	H17B—C17—C19—O10	76.9 (11)
H16C—N16—C14—C18	179.5 (5)	N11B—C17—C19—O10	165.1 (12)
H16A—N16—C14—C18	63.0 (6)	N11—C17—C19—O10	−160.7 (4)
H11E—N11B—C17—H17A	43.9	H17A—C17—C19—O9	138.5 (8)
H11F—N11B—C17—H17A	−76.1	H17B—C17—C19—O9	−102.5 (10)
H11D—N11B—C17—H17A	163.9	N11B—C17—C19—O9	−14.3 (12)
H11E—N11B—C17—H17B	−64.0	N11—C17—C19—O9	19.9 (5)
H11F—N11B—C17—H17B	176.0	H21C—N21—C20—H20B	−175.1 (11)
H11D—N11B—C17—H17B	56.0	H21B—N21—C20—H20B	−54.8 (10)
H11E—N11B—C17—C19	−172.1	H21A—N21—C20—H20B	62.2 (11)
H11F—N11B—C17—C19	67.9	H21C—N21—C20—H20A	−57.3 (12)
H11D—N11B—C17—C19	−52.1	H21B—N21—C20—H20A	63.0 (11)
H11B—N11—C17—H17A	167.0 (11)	H21A—N21—C20—H20A	−180.0 (11)
H11A—N11—C17—H17A	−74.9 (11)	H21C—N21—C20—C13	64.1 (7)
H11C—N11—C17—H17A	46.3 (11)	H21B—N21—C20—C13	−175.6 (6)
H11B—N11—C17—H17B	49.3 (11)	H21A—N21—C20—C13	−58.6 (8)
H11A—N11—C17—H17B	167.4 (11)	O4—C13—C20—H20B	−120.9 (10)
H11C—N11—C17—H17B	−71.4 (11)	O3—C13—C20—H20B	59.2 (10)
H11B—N11—C17—C19	−72.8 (8)	O4—C13—C20—H20A	120.5 (10)
H11A—N11—C17—C19	45.3 (8)	O3—C13—C20—H20A	−59.4 (10)
H11C—N11—C17—C19	166.5 (7)	O4—C13—C20—N21	−0.9 (5)
H15—O15—C18—O7	−5.7 (10)	O3—C13—C20—N21	179.2 (3)