SCSD model generated from precomputed using D2h symmetry, available as blue_box

Table 1; Model atom positions

xyzat
0.73833.4705-0.0C
-5.11351.38860.0C
-4.94212.88460.0C
-2.82293.30261.1591C
-1.47623.43441.1823C
-0.73833.47050.0C
-1.47623.4344-1.1823C
-2.82293.3026-1.1591C
1.47623.43441.1823C
2.82293.30261.1591C
2.82293.3026-1.1591C
1.47623.4344-1.1823C
4.94212.8846-0.0C
5.11351.3886-0.0C
5.15030.6819-1.1896C
5.1503-0.6819-1.1896C
5.1503-0.68191.1896C
5.15030.68191.1896C
-1.4762-3.4344-1.1823C
-2.8229-3.3026-1.1591C
-2.8229-3.30261.1591C
-1.4762-3.43441.1823C
-4.9421-2.88460.0C
-5.1135-1.38860.0C
-5.1503-0.68191.1896C
-5.15030.68191.1896C
-5.15030.6819-1.1896C
-5.1503-0.6819-1.1896C
-0.7383-3.47050.0C
5.1135-1.3886-0.0C
4.9421-2.8846-0.0C
2.8229-3.3026-1.1591C
1.4762-3.4344-1.1823C
0.7383-3.4705-0.0C
1.4762-3.43441.1823C
2.8229-3.30261.1591C
-3.48193.19750.0N
3.48193.1975-0.0N
-3.4819-3.19750.0N
3.4819-3.1975-0.0N