0 mol 0 unq 0 iso 0 dist 7.58664 6.99269 10.5071 5.11216 6.80636 10.5603 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 7.84098 8.99855 5.101 6.4953 6.34173 9.43442 numMergedOcc 0
2 mol 45 unq 1 iso 0 dist 8.99855 7.84098 5.101 6.4953 9.43442 6.34173 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 6.71137 9.76242 8.19458 5.96296 6.71911 11.6249 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 7.92708 6.26262 7.1752 11.5994 6.58204 11.8016 numMergedOcc 0
5 mol 100 unq 1 iso 0 dist 7.92708 5.1385 5.88134 11.5994 6.58204 7.75343 numMergedOcc 0
6 mol 100 unq 2 iso 0 dist 5.1385 7.92708 5.88134 11.5994 7.75343 6.58204 numMergedOcc 0
7 mol 100 unq 3 iso 0 dist 5.1385 6.26262 5.33144 11.5994 7.75343 11.8016 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 9.46144 9.66471 5.59517 7.04769 8.71128 7.52743 numMergedOcc 0
9 mol 114 unq 1 iso 0 dist 9.66471 9.46144 5.59517 7.04769 7.52743 8.71128 numMergedOcc 0
10 mol 117 unq 0 iso 0 dist 8.08241 8.34279 10.4345 10.0618 6.62561 14.4422 numMergedOcc 0
11 mol 117 unq 1 iso 0 dist 8.34279 8.08241 10.4345 10.7127 7.20326 13.4462 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 7.30166 9.82508 6.63273 5.2907 8.6243 6.91348 numMergedOcc 0
13 mol 131 unq 1 iso 0 dist 9.82508 7.30166 6.63273 5.2907 6.91348 8.6243 numMergedOcc 0
14 mol 131 unq 2 iso 0 dist 9.82508 7.30166 6.63273 13.4046 9.51418 12.9472 numMergedOcc 0
15 mol 213 unq 0 iso 0 dist 8.44476 5.33408 5.45334 13.3708 6.0965 11.5105 numMergedOcc 0
16 mol 213 unq 1 iso 0 dist 8.44476 5.33408 5.45334 13.4229 9.59129 13.8919 numMergedOcc 0
17 mol 213 unq 2 iso 0 dist 7.17548 6.77853 11.3915 6.49484 6.68292 11.9811 numMergedOcc 0
18 mol 213 unq 3 iso 0 dist 7.17548 6.77853 11.3915 4.55499 4.26212 10.7798 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 7.70206 6.34391 10.501 8.65683 9.19234 14.4703 numMergedOcc 0
20 mol 274 unq 1 iso 0 dist 7.70206 7.85517 6.828 8.65683 9.19234 14.3124 numMergedOcc 0
21 mol 292 unq 0 iso 0 dist 8.30524 6.20261 10.3106 9.61327 9.454 13.8513 numMergedOcc 0
