0 mol 81 unq 0 iso 0 dist 8.53662 7.16417 8.16146 13.4131 9.24998 7.717 numMergedOcc 0
1 mol 81 unq 0 iso 1 dist 8.16146 7.16417 8.53662 7.717 9.24998 13.4131 numMergedOcc 0
2 mol 91 unq 0 iso 0 dist 8.18876 4.12972 5.51155 9.10719 9.83234 9.08459 numMergedOcc 0
3 mol 91 unq 0 iso 1 dist 5.51155 4.12972 8.18876 9.08459 9.83234 9.10719 numMergedOcc 0
4 mol 91 unq 1 iso 0 dist 8.18876 4.59251 8.29601 9.10719 9.83234 12.6858 numMergedOcc 0
5 mol 91 unq 1 iso 1 dist 8.29601 4.59251 8.18876 12.6858 9.83234 9.10719 numMergedOcc 0
6 mol 91 unq 1 iso 0 dist 5.51155 4.14485 8.29601 9.08459 9.83234 12.6858 numMergedOcc 0
7 mol 91 unq 1 iso 1 dist 8.29601 4.14485 5.51155 12.6858 9.83234 9.08459 numMergedOcc 0
8 mol 183 unq 0 iso 0 dist 6.23903 10.3494 8.39603 5.24086 9.84649 13.0499 numMergedOcc 0
9 mol 183 unq 0 iso 1 dist 8.39603 10.3494 6.23903 13.0499 9.84649 5.24086 numMergedOcc 0
10 mol 226 unq 0 iso 0 dist 8.29033 4.42867 5.44698 12.4349 8.24741 11.1522 numMergedOcc 0
11 mol 226 unq 0 iso 1 dist 5.44698 4.42867 8.29033 11.1522 8.24741 12.4349 numMergedOcc 0
12 mol 226 unq 1 iso 0 dist 8.29033 4.42867 5.44698 4.67515 5.07958 4.8749 numMergedOcc 0
13 mol 226 unq 1 iso 1 dist 5.44698 4.42867 8.29033 4.8749 5.07958 4.67515 numMergedOcc 0
14 mol 226 unq 2 iso 0 dist 8.29033 4.42867 5.44698 11.2053 6.19519 6.81662 numMergedOcc 0
15 mol 226 unq 2 iso 1 dist 5.44698 4.42867 8.29033 6.81662 6.19519 11.2053 numMergedOcc 0
16 mol 233 unq 0 iso 0 dist 9.46821 4.36175 8.52401 17.1492 8.81929 14.3744 numMergedOcc 0
17 mol 233 unq 0 iso 1 dist 8.52401 4.36175 9.46821 14.3744 8.81929 17.1492 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 6.70738 4.02178 8.55314 9.59108 9.82057 13.5832 numMergedOcc 0
19 mol 239 unq 0 iso 1 dist 8.55314 4.02178 6.70738 13.5832 9.82057 9.59108 numMergedOcc 0
20 mol 243 unq 0 iso 0 dist 8.82741 5.35679 4.88105 11.6124 8.1195 11.0067 numMergedOcc 0
21 mol 243 unq 0 iso 1 dist 4.88105 5.35679 8.82741 11.0067 8.1195 11.6124 numMergedOcc 0
22 mol 243 unq 1 iso 0 dist 8.82741 10.9568 9.44057 11.6124 8.1195 16.3085 numMergedOcc 0
23 mol 243 unq 1 iso 1 dist 9.44057 10.9568 8.82741 16.3085 8.1195 11.6124 numMergedOcc 0
24 mol 243 unq 1 iso 0 dist 4.88105 6.66377 9.44057 11.0067 8.1195 16.3085 numMergedOcc 0
25 mol 243 unq 1 iso 1 dist 9.44057 6.66377 4.88105 16.3085 8.1195 11.0067 numMergedOcc 0
26 mol 267 unq 0 iso 0 dist 5.96461 10.9186 7.21009 4.69584 8.21131 12.9984 numMergedOcc 0
27 mol 267 unq 0 iso 1 dist 7.21009 10.9186 5.96461 12.9984 8.21131 4.69584 numMergedOcc 0
28 mol 287 unq 0 iso 0 dist 5.92999 6.60378 4.75392 5.63549 8.44356 6.76834 numMergedOcc 0
29 mol 287 unq 0 iso 1 dist 4.75392 6.60378 5.92999 6.76834 8.44356 5.63549 numMergedOcc 0
30 mol 288 unq 0 iso 0 dist 5.92999 6.60378 4.75392 5.63549 8.44356 6.76834 numMergedOcc 0
31 mol 288 unq 0 iso 1 dist 4.75392 6.60378 5.92999 6.76834 8.44356 5.63549 numMergedOcc 0
32 mol 289 unq 0 iso 0 dist 5.92999 6.60378 4.75392 5.63549 8.44356 6.76834 numMergedOcc 0
33 mol 289 unq 0 iso 1 dist 4.75392 6.60378 5.92999 6.76834 8.44356 5.63549 numMergedOcc 0
