Res No.

Starting geometries for simulations

I

II

III

IV

IV

II

10 ns

10 ns

10 ns

10 ns

20 ns

20 ns

1

−, 120, −174

−170, −51, 96

−, 151, 177

−178, −67, 172

−, 153, 168

−67, 150, 155

−, 179, −177 59, 166, 85

−, 170, −175

−88, −166, −91

−, 144, −174

−143, 67, −104

2

−108, 129, 175

−164, −97, −84

−14, −76, 178

−77, −69, −143

−76, −30, 168

−53, −79, −84

−87, 108, −177

−158, −74, 91

−152, −78, −170

−158, 176, 128

−120, 112, −173 62, 58, 79

3

−124, 167, 180

−79 ,−54, 143

−150, −24, 171

−77, −71, 127

−106, 123, −169

−178,−167, −105

−110, 86, 175

−63, 164, 139

−56, −36, 167 166, 75, −100

−113, 86, −167

−68, 79, 153

4

−115, 102, −179

−78, −142, −74

−59, −49, −169

−83, −159, −121

−155, 157, 178 63, 74, 100

−63, 98, 175

−61, −56, −79

−154, 115, 175

−165, −68, 129

−77, 131, 177

−164, 106, −97

5

−130, 144, 167

−64, −174, 107

−141, 126, −180

−72, 90, −136

−136, 72, −176

−73, −154, −76

−106, −61, 162

−54, 159, −117

−65, 92, 170

−51, −59, −84

−131, 82, 176

−150, 51, −155

6

−61, −, −

−111, 80, −112

−113, −, −

−69, 80, −132

−123, −, −

−50, −177, 85

−123, −, −

−104, −77, 129

−71, −, −

−54, −175, −91

−134, −, −

−77, −179, −148