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. 2020 Jun 9;76(Pt 7):1057–1061. doi: 10.1107/S2056989020007483
U11 U22 U33 U12 U13 U23
C1 0.0548 (18) 0.0450 (18) 0.0514 (18) −0.0072 (15) 0.0021 (15) −0.0186 (15)
O1 0.1006 (17) 0.0496 (13) 0.0801 (16) −0.0097 (12) −0.0273 (13) −0.0287 (12)
N1 0.0597 (17) 0.0467 (16) 0.0666 (18) −0.0120 (13) −0.0199 (13) −0.0131 (13)
C11 0.0483 (17) 0.0459 (17) 0.0498 (18) −0.0020 (14) 0.0020 (14) −0.0172 (14)
C12 0.0555 (18) 0.0549 (19) 0.064 (2) −0.0025 (15) −0.0071 (16) −0.0188 (17)
C13 0.066 (2) 0.084 (3) 0.069 (2) −0.010 (2) −0.0138 (19) −0.025 (2)
C14 0.068 (2) 0.097 (3) 0.068 (2) −0.004 (2) −0.0143 (19) −0.002 (2)
C15 0.092 (3) 0.061 (2) 0.098 (3) 0.007 (2) −0.024 (2) −0.004 (2)
C16 0.084 (2) 0.051 (2) 0.078 (2) 0.0000 (18) −0.016 (2) −0.0178 (18)
C17 0.0545 (18) 0.0515 (18) 0.072 (2) −0.0104 (15) −0.0173 (17) −0.0146 (17)
N21 0.0683 (17) 0.0571 (16) 0.0571 (17) 0.0055 (13) −0.0268 (15) −0.0301 (15)
N22 0.0655 (16) 0.0506 (15) 0.0738 (19) −0.0021 (13) −0.0280 (15) −0.0251 (14)
C23 0.0477 (17) 0.0448 (17) 0.064 (2) 0.0002 (14) −0.0205 (15) −0.0236 (15)
N24 0.0470 (13) 0.0401 (13) 0.0495 (15) −0.0034 (11) −0.0153 (11) −0.0206 (11)
C25 0.0500 (17) 0.0463 (17) 0.0499 (18) 0.0101 (14) −0.0188 (14) −0.0218 (14)
S25 0.0708 (5) 0.0570 (5) 0.0516 (5) −0.0006 (4) −0.0106 (4) −0.0165 (4)
N25 0.0535 (14) 0.0433 (14) 0.0495 (14) −0.0051 (11) −0.0146 (11) −0.0210 (11)
C26 0.0470 (16) 0.0383 (16) 0.0436 (16) 0.0013 (13) −0.0103 (13) −0.0148 (13)
O31 0.139 (2) 0.0618 (14) 0.0462 (13) −0.0308 (14) −0.0296 (13) −0.0119 (11)
N32 0.103 (2) 0.0557 (16) 0.0506 (16) −0.0197 (15) −0.0224 (15) −0.0203 (13)
N33 0.0560 (14) 0.0412 (13) 0.0461 (14) −0.0067 (11) −0.0113 (11) −0.0180 (11)
C34 0.0567 (17) 0.0366 (15) 0.0446 (17) −0.0055 (13) −0.0125 (14) −0.0150 (13)
C35 0.099 (3) 0.055 (2) 0.055 (2) −0.0181 (19) −0.0223 (18) −0.0199 (17)
O35 0.180 (3) 0.0552 (15) 0.0578 (15) −0.0416 (16) −0.0319 (16) −0.0002 (12)
C41 0.0437 (16) 0.0387 (15) 0.0476 (17) −0.0048 (13) −0.0115 (13) −0.0168 (13)
C42 0.0572 (18) 0.0455 (17) 0.065 (2) −0.0037 (15) −0.0080 (15) −0.0273 (16)
C43 0.062 (2) 0.0318 (16) 0.088 (3) 0.0025 (14) −0.0227 (18) −0.0164 (17)
C44 0.0501 (18) 0.0480 (18) 0.063 (2) −0.0117 (15) −0.0184 (16) −0.0075 (16)
C45 0.0551 (18) 0.060 (2) 0.0523 (19) −0.0048 (16) −0.0047 (15) −0.0136 (16)
C46 0.0506 (17) 0.0416 (16) 0.058 (2) 0.0044 (14) −0.0095 (15) −0.0184 (15)
C47 0.086 (3) 0.062 (2) 0.084 (3) −0.0187 (19) −0.026 (2) 0.0074 (19)
O51 0.089 (2) 0.056 (2) 0.0543 (15) −0.0169 (16) −0.0188 (14) −0.0212 (14)
C51 0.103 (4) 0.070 (4) 0.079 (3) −0.021 (3) −0.032 (3) 0.005 (3)
C52 0.095 (4) 0.100 (4) 0.070 (3) −0.004 (3) −0.015 (2) 0.007 (3)
O61 0.089 (2) 0.056 (2) 0.0543 (15) −0.0169 (16) −0.0188 (14) −0.0212 (14)
C61 0.103 (4) 0.070 (4) 0.079 (3) −0.021 (3) −0.032 (3) 0.005 (3)
C62 0.095 (4) 0.100 (4) 0.070 (3) −0.004 (3) −0.015 (2) 0.007 (3)