TITL SIGI in P-1
CELL 0.71073 6.652 7.758 8.147 73.09 75.99 68.40
ZERR 2 .002 .002 .002 .03 .03 .03
SFAC C H N O
UNIT 14 22 2 6

L.S. 4
EXTI 0.001
WGHT .060 0.15
OMIT 2 8 0

BOND $H
CONF
FMAP 2
PLAN -20

HFIX 147 31 O2
HFIX 137 31 C10

HFIX 93 21 N6
HFIX 23 21 C5 C11
HFIX 13 21 C7

EQIV $1 X-1, Y, Z
RTAB H..O H2 O1_$1
RTAB XHY O2 H2 O1_$1

RTAB H..O H6A O1
RTAB XHY N6 H6A O1

EQIV $2 X+1, Y, Z-1
RTAB H..O H6B O2_$2
RTAB XHY N6 H6B O2_$2

MPLA 5 C7 C11 C8 C4 O3 O1 N6 C9 C10
MPLA 6 C10 N6 C9 C8 C11 C4 O1 O3 C7

FVAR 1 .06 .07

O1      4   0.30280   0.17175   0.68006  11.00000   0.02309   0.04802 =
        0.02540  -0.00301  -0.00597  -0.01547
O2      4  -0.56871   0.23631   0.96089  11.00000   0.02632   0.04923 =
        0.02191  -0.00958   0.00050  -0.02065
O3      4  -0.02274   0.28312   0.83591  11.00000   0.02678   0.04990 =
        0.01752  -0.00941  -0.00047  -0.02109
C4      1   0.10358   0.23458   0.68664  11.00000   0.02228   0.02952 =
        0.01954  -0.00265  -0.00173  -0.01474
C5      1  -0.33881   0.18268   0.94464  11.00000   0.02618   0.03480 =
        0.01926  -0.00311  -0.00414  -0.01624
N6      3   0.26405   0.17085   0.33925  11.00000   0.03003   0.04232 =
        0.02620  -0.01312   0.00048  -0.01086
C7      1  -0.25299   0.33872   0.82228  11.00000   0.02437   0.03111 =
        0.01918  -0.00828  -0.00051  -0.01299
C8      1  -0.03073   0.27219   0.55976  11.00000   0.02166   0.02647 =
        0.01918  -0.00365  -0.00321  -0.01184
C9      1   0.05119   0.24371   0.39501  11.00000   0.02616   0.02399 =
        0.02250  -0.00536  -0.00311  -0.01185
C10     1  -0.10011   0.29447   0.26687  11.00000   0.03877   0.04903 =
        0.02076  -0.01022  -0.00611  -0.01800
C11     1  -0.26553   0.36133   0.63125  11.00000   0.02313   0.03520 =
        0.01862  -0.00372  -0.00330  -0.01185

HKLF 4
END