diff --git a/package/ClayCode/data/data/UCS/T21/T201.itp b/package/ClayCode/data/data/UCS/T21/T201.itp index f27b0c43..09b9080a 100644 --- a/package/ClayCode/data/data/UCS/T21/T201.itp +++ b/package/ClayCode/data/data/UCS/T21/T201.itp @@ -39,13 +39,13 @@ T201 1 32 mgo 1 T201 MGO5 32 1.360000 24.310 33 mgo 1 T201 MGO6 33 1.360000 24.310 34 mgo 1 T201 MGO3 34 1.360000 24.310 - 35 oh 1 T201 OH4 35 -0.953796 16.000 + 35 oh 1 T201 OH4 35 -0.953795 16.000 36 ho 1 T201 HO4 36 0.425000 1.008 37 ho 1 T201 HO1 37 0.425000 1.008 - 38 oh 1 T201 OH1 38 -0.953796 16.000 - 39 oh 1 T201 OH3 39 -0.953796 16.000 + 38 oh 1 T201 OH1 38 -0.953795 16.000 + 39 oh 1 T201 OH3 39 -0.953795 16.000 40 ho 1 T201 HO3 40 0.425000 1.008 - 41 oh 1 T201 OH2 41 -0.953796 16.000 + 41 oh 1 T201 OH2 41 -0.953795 16.000 42 ho 1 T201 HO2 42 0.425000 1.008 diff --git a/package/ClayCode/data/data/UCS/T21/T202.itp b/package/ClayCode/data/data/UCS/T21/T202.itp index 07b61063..2eea19b6 100644 --- a/package/ClayCode/data/data/UCS/T21/T202.itp +++ b/package/ClayCode/data/data/UCS/T21/T202.itp @@ -39,13 +39,13 @@ T202 1 32 mgo 1 T202 MGO5 32 1.360000 24.310 33 mgo 1 T202 MGO6 33 1.360000 24.310 34 mgo 1 T202 MGO3 34 1.360000 24.310 - 35 oh 1 T202 OH4 35 -0.953796 16.000 + 35 oh 1 T202 OH4 35 -0.953795 16.000 36 ho 1 T202 HO4 36 0.425000 1.008 37 ho 1 T202 HO1 37 0.425000 1.008 - 38 oh 1 T202 OH1 38 -0.953796 16.000 - 39 oh 1 T202 OH3 39 -0.953796 16.000 + 38 oh 1 T202 OH1 38 -0.953795 16.000 + 39 oh 1 T202 OH3 39 -0.953795 16.000 40 ho 1 T202 HO3 40 0.425000 1.008 - 41 oh 1 T202 OH2 41 -0.953796 16.000 + 41 oh 1 T202 OH2 41 -0.953795 16.000 42 ho 1 T202 HO2 42 0.425000 1.008 diff --git a/package/ClayCode/data/data/UCS/T21/T203.itp b/package/ClayCode/data/data/UCS/T21/T203.itp index 7cc2467c..7064a1ea 100644 --- a/package/ClayCode/data/data/UCS/T21/T203.itp +++ b/package/ClayCode/data/data/UCS/T21/T203.itp @@ -39,13 +39,13 @@ T203 1 32 mgo 1 T203 MGO5 32 1.360000 24.310 33 mgo 1 T203 MGO6 33 1.360000 24.310 34 mgo 1 T203 MGO3 34 1.360000 24.310 - 35 oh 1 T203 OH4 35 -0.953796 16.000 + 35 oh 1 T203 OH4 35 -0.953795 16.000 36 ho 1 T203 HO4 36 0.425000 1.008 37 ho 1 T203 HO1 37 0.425000 1.008 - 38 oh 1 T203 OH1 38 -0.953796 16.000 - 39 oh 1 T203 OH3 39 -0.953796 16.000 + 38 oh 1 T203 OH1 38 -0.953795 16.000 + 39 oh 1 T203 OH3 39 -0.953795 16.000 40 ho 1 T203 HO3 40 0.425000 1.008 - 41 oh 1 T203 OH2 41 -0.953796 16.000 + 41 oh 1 T203 OH2 41 -0.953795 16.000 42 ho 1 T203 HO2 42 0.425000 1.008 diff --git a/package/ClayCode/data/data/UCS/T21/T204.itp b/package/ClayCode/data/data/UCS/T21/T204.itp index de9210fd..10eb88ac 100644 --- a/package/ClayCode/data/data/UCS/T21/T204.itp +++ b/package/ClayCode/data/data/UCS/T21/T204.itp @@ -39,13 +39,13 @@ T204 1 32 mgo 1 T204 MGO5 32 1.360000 24.310 33 mgo 1 T204 MGO6 33 1.360000 24.310 34 mgo 1 T204 MGO3 34 1.360000 24.310 - 35 oh 1 T204 OH4 35 -0.957592 16.000 + 35 oh 1 T204 OH4 35 -0.957590 16.000 36 ho 1 T204 HO4 36 0.425000 1.008 37 ho 1 T204 HO1 37 0.425000 1.008 - 38 oh 1 T204 OH1 38 -0.957592 16.000 - 39 oh 1 T204 OH3 39 -0.957592 16.000 + 38 oh 1 T204 OH1 38 -0.957590 16.000 + 39 oh 1 T204 OH3 39 -0.957590 16.000 40 ho 1 T204 HO3 40 0.425000 1.008 - 41 oh 1 T204 OH2 41 -0.957592 16.000 + 41 oh 1 T204 OH2 41 -0.957590 16.000 42 ho 1 T204 HO2 42 0.425000 1.008 diff --git a/package/ClayCode/data/data/UCS/T21/T205.itp b/package/ClayCode/data/data/UCS/T21/T205.itp index c6f9d4e6..c8efda04 100644 --- a/package/ClayCode/data/data/UCS/T21/T205.itp +++ b/package/ClayCode/data/data/UCS/T21/T205.itp @@ -39,13 +39,13 @@ T205 1 32 mgo 1 T205 MGO5 32 1.360000 24.310 33 mgo 1 T205 MGO6 33 1.360000 24.310 34 mgo 1 T205 MGO3 34 1.360000 24.310 - 35 oh 1 T205 OH4 35 -0.957592 16.000 + 35 oh 1 T205 OH4 35 -0.957590 16.000 36 ho 1 T205 HO4 36 0.425000 1.008 37 ho 1 T205 HO1 37 0.425000 1.008 - 38 oh 1 T205 OH1 38 -0.957592 16.000 - 39 oh 1 T205 OH3 39 -0.957592 16.000 + 38 oh 1 T205 OH1 38 -0.957590 16.000 + 39 oh 1 T205 OH3 39 -0.957590 16.000 40 ho 1 T205 HO3 40 0.425000 1.008 - 41 oh 1 T205 OH2 41 -0.957592 16.000 + 41 oh 1 T205 OH2 41 -0.957590 16.000 42 ho 1 T205 HO2 42 0.425000 1.008 diff --git a/package/ClayCode/data/data/UCS/T21/T206.itp b/package/ClayCode/data/data/UCS/T21/T206.itp index 024de79c..e21f9ac4 100644 --- a/package/ClayCode/data/data/UCS/T21/T206.itp +++ b/package/ClayCode/data/data/UCS/T21/T206.itp @@ -39,13 +39,13 @@ T206 1 32 mgo 1 T206 MGO5 32 1.360000 24.310 33 mgo 1 T206 MGO6 33 1.360000 24.310 34 mgo 1 T206 MGO3 34 1.360000 24.310 - 35 oh 1 T206 OH4 35 -0.957592 16.000 + 35 oh 1 T206 OH4 35 -0.957590 16.000 36 ho 1 T206 HO4 36 0.425000 1.008 37 ho 1 T206 HO1 37 0.425000 1.008 - 38 oh 1 T206 OH1 38 -0.957592 16.000 - 39 oh 1 T206 OH3 39 -0.957592 16.000 + 38 oh 1 T206 OH1 38 -0.957590 16.000 + 39 oh 1 T206 OH3 39 -0.957590 16.000 40 ho 1 T206 HO3 40 0.425000 1.008 - 41 oh 1 T206 OH2 41 -0.957592 16.000 + 41 oh 1 T206 OH2 41 -0.957590 16.000 42 ho 1 T206 HO2 42 0.425000 1.008