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. 2012 Mar 14;68(Pt 4):m417–m418. doi: 10.1107/S1600536812009890
U11 U22 U33 U12 U13 U23
C39 0.175 (6) 0.078 (3) 0.169 (6) 0.031 (4) −0.033 (5) 0.007 (4)
O1 0.132 (4) 0.093 (3) 0.301 (7) 0.003 (3) −0.012 (4) −0.062 (4)
O2 0.088 (2) 0.105 (3) 0.196 (4) −0.015 (2) 0.031 (3) 0.020 (3)
Ni1 0.0489 (2) 0.04276 (18) 0.02925 (15) 0.01033 (14) 0.00388 (12) 0.00828 (12)
N2 0.0498 (13) 0.0472 (12) 0.0352 (10) 0.0105 (10) 0.0052 (9) 0.0125 (9)
N3 0.0533 (14) 0.0422 (12) 0.0478 (12) 0.0082 (10) 0.0090 (10) 0.0071 (10)
N1 0.0528 (13) 0.0485 (12) 0.0353 (10) 0.0150 (10) 0.0015 (9) 0.0106 (9)
N4 0.0549 (13) 0.0440 (12) 0.0337 (10) 0.0103 (10) 0.0015 (9) 0.0075 (9)
N8 0.0629 (16) 0.0673 (16) 0.0467 (13) 0.0077 (13) 0.0109 (11) 0.0199 (12)
N5 0.0680 (17) 0.0530 (15) 0.0569 (15) 0.0198 (13) 0.0024 (12) 0.0099 (12)
C12 0.0457 (14) 0.0413 (13) 0.0382 (12) 0.0080 (11) 0.0069 (10) 0.0091 (10)
C5 0.0667 (19) 0.0549 (17) 0.0357 (13) 0.0074 (14) 0.0038 (12) 0.0061 (12)
C24 0.0654 (18) 0.0447 (14) 0.0349 (12) 0.0209 (13) 0.0090 (12) 0.0097 (10)
C13 0.0628 (18) 0.0446 (14) 0.0460 (14) 0.0204 (13) 0.0207 (13) 0.0131 (11)
C11 0.0613 (18) 0.0604 (18) 0.0442 (14) 0.0168 (14) 0.0043 (13) 0.0219 (13)
C20 0.097 (3) 0.0649 (19) 0.0360 (14) 0.0398 (19) 0.0114 (15) 0.0131 (13)
C6 0.100 (3) 0.066 (2) 0.0414 (15) 0.0221 (19) 0.0067 (16) −0.0039 (14)
C1 0.0502 (15) 0.0450 (14) 0.0347 (12) 0.0050 (11) 0.0051 (10) 0.0092 (10)
N9 0.0590 (15) 0.0565 (14) 0.0452 (12) 0.0045 (12) 0.0082 (11) 0.0176 (11)
C38 0.0542 (16) 0.0490 (15) 0.0496 (15) 0.0060 (13) 0.0079 (12) 0.0168 (12)
C22 0.089 (3) 0.066 (2) 0.0548 (19) 0.0179 (19) −0.0261 (18) −0.0005 (16)
C33 0.0447 (14) 0.0527 (15) 0.0444 (13) 0.0121 (12) 0.0077 (11) 0.0163 (12)
C8 0.0627 (18) 0.0445 (15) 0.0544 (16) 0.0136 (13) 0.0079 (14) 0.0086 (12)
C14 0.0533 (18) 0.0570 (19) 0.078 (2) 0.0074 (15) 0.0052 (16) 0.0051 (16)
C32 0.0472 (15) 0.0584 (17) 0.0404 (13) 0.0120 (13) 0.0062 (11) 0.0110 (12)
C36 0.0489 (16) 0.0638 (18) 0.0424 (14) 0.0161 (13) 0.0069 (12) 0.0175 (13)
C35 0.0649 (19) 0.0590 (18) 0.0526 (16) 0.0087 (15) 0.0142 (14) 0.0240 (14)
C34 0.0625 (18) 0.0491 (16) 0.0509 (15) 0.0034 (14) 0.0116 (13) 0.0135 (13)
C37 0.0540 (17) 0.0546 (17) 0.0494 (15) 0.0075 (13) 0.0041 (13) 0.0115 (13)
C23 0.0627 (18) 0.0497 (16) 0.0507 (16) 0.0066 (14) −0.0062 (13) 0.0072 (13)
C2 0.0635 (19) 0.069 (2) 0.0455 (15) 0.0245 (15) −0.0018 (13) 0.0161 (14)
C3 0.075 (2) 0.083 (2) 0.0442 (16) 0.0182 (18) −0.0085 (15) 0.0212 (16)
C19 0.132 (4) 0.105 (3) 0.0445 (18) 0.059 (3) 0.033 (2) 0.033 (2)
C9 0.074 (2) 0.0528 (18) 0.071 (2) 0.0258 (16) 0.0141 (17) 0.0182 (15)
C21 0.114 (3) 0.082 (2) 0.0356 (15) 0.042 (2) −0.0144 (18) 0.0012 (16)
C17 0.077 (2) 0.0609 (19) 0.077 (2) 0.0283 (18) 0.0401 (18) 0.0321 (17)
C10 0.070 (2) 0.064 (2) 0.0648 (19) 0.0242 (16) 0.0056 (16) 0.0302 (16)
O3 0.110 (2) 0.0929 (19) 0.0529 (13) 0.0118 (16) 0.0165 (13) 0.0331 (13)
N10 0.0711 (18) 0.0763 (19) 0.0446 (13) 0.0176 (15) 0.0061 (12) 0.0204 (13)
O4 0.153 (3) 0.088 (2) 0.0470 (13) −0.0056 (19) 0.0008 (16) 0.0078 (13)
C4 0.084 (2) 0.077 (2) 0.0333 (13) 0.0120 (19) −0.0025 (14) 0.0111 (14)
C7 0.095 (3) 0.0550 (19) 0.0598 (19) 0.0275 (18) 0.0138 (18) −0.0008 (15)
C18 0.123 (4) 0.099 (3) 0.073 (2) 0.057 (3) 0.061 (3) 0.052 (2)
C15 0.053 (2) 0.069 (2) 0.133 (4) 0.0011 (17) 0.020 (2) 0.020 (2)
C16 0.076 (3) 0.074 (2) 0.124 (4) 0.019 (2) 0.053 (3) 0.043 (3)
N6 0.0699 (17) 0.0549 (15) 0.0593 (15) 0.0258 (13) 0.0045 (13) 0.0055 (12)
C25 0.0619 (18) 0.0566 (17) 0.0366 (13) 0.0188 (14) 0.0046 (12) 0.0151 (12)
C26 0.071 (2) 0.0543 (17) 0.0446 (14) 0.0262 (15) 0.0147 (13) 0.0174 (12)
C31 0.074 (2) 0.0528 (18) 0.071 (2) 0.0186 (16) 0.0279 (17) 0.0172 (15)
C30 0.065 (2) 0.071 (2) 0.088 (3) 0.0138 (18) 0.0259 (19) 0.024 (2)
C29 0.079 (2) 0.0532 (19) 0.080 (2) 0.0059 (17) 0.0168 (19) 0.0199 (17)
C27 0.077 (2) 0.063 (2) 0.097 (3) 0.0332 (19) 0.002 (2) −0.0019 (19)
N7 0.096 (3) 0.066 (2) 0.135 (4) 0.005 (2) 0.016 (3) 0.018 (2)
C28 0.091 (3) 0.057 (2) 0.104 (3) 0.029 (2) 0.012 (2) −0.001 (2)
O5 0.112 (3) 0.070 (2) 0.144 (3) 0.0153 (18) −0.024 (2) 0.016 (2)