0 mol 26 unq 0 iso 0 dist 8.35396 9.12812 9.5053 4.27162 6.56527 5.66783 numMergedOcc 0
1 mol 114 unq 0 iso 0 dist 5.32751 11.064 9.35942 11.5261 8.42878 10.5177 numMergedOcc 0
2 mol 114 unq 1 iso 0 dist 5.32751 10.1476 7.42482 11.5261 8.42878 8.66057 numMergedOcc 0
3 mol 116 unq 0 iso 0 dist 9.28045 12.6546 8.79367 9.60499 8.38606 12.2604 numMergedOcc 0
4 mol 131 unq 0 iso 0 dist 9.66687 14.9056 8.92828 5.06665 5.87084 11.6708 numMergedOcc 0
5 mol 131 unq 1 iso 0 dist 9.66687 10.6067 5.44303 5.06665 5.87084 5.66194 numMergedOcc 0
6 mol 131 unq 2 iso 0 dist 9.68242 17.7965 8.92828 7.7998 5.87084 11.6708 numMergedOcc 0
7 mol 131 unq 3 iso 0 dist 9.68242 12.4872 5.44303 7.7998 5.87084 5.66194 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 7.90709 14.5524 9.78667 8.90481 9.83945 8.69924 numMergedOcc 0
9 mol 141 unq 1 iso 0 dist 7.90709 14.0071 8.47026 8.90481 9.83945 9.33878 numMergedOcc 0
10 mol 141 unq 2 iso 0 dist 9.03842 14.5524 6.73983 8.90481 6.75376 8.69924 numMergedOcc 0
11 mol 141 unq 3 iso 0 dist 9.03842 14.0071 8.6387 8.90481 6.75376 9.33878 numMergedOcc 0
12 mol 171 unq 0 iso 0 dist 6.73995 5.76368 7.32555 12.8052 7.22518 9.8515 numMergedOcc 0
13 mol 171 unq 1 iso 0 dist 6.73995 5.76368 7.32555 9.23265 5.25109 9.54524 numMergedOcc 0
14 mol 171 unq 2 iso 0 dist 8.619 10.8584 7.32555 14.7924 7.22518 9.8515 numMergedOcc 0
15 mol 171 unq 3 iso 0 dist 8.619 10.8584 7.32555 7.86006 5.25109 9.54524 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 7.89312 8.54772 5.45675 9.52106 6.21159 5.81211 numMergedOcc 0
17 mol 196 unq 0 iso 0 dist 9.80811 5.18755 9.76411 9.42947 9.62455 6.02503 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 6.02641 6.77056 8.28466 6.25229 9.8664 12.721 numMergedOcc 0
19 mol 237 unq 0 iso 0 dist 7.3216 9.59218 9.54499 5.31202 8.10254 9.25593 numMergedOcc 0
20 mol 237 unq 1 iso 0 dist 7.3216 4.83024 5.6703 5.31202 8.10254 6.26206 numMergedOcc 0
21 mol 247 unq 0 iso 0 dist 7.21548 16.3349 9.84493 9.41711 8.45756 12.4425 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 9.71673 13.5618 8.2997 10.4158 6.88827 5.36428 numMergedOcc 0
23 mol 274 unq 1 iso 0 dist 9.71673 13.5618 8.2997 14.9486 9.16942 14.986 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 9.04531 10.4785 7.85414 6.17749 8.20644 5.43373 numMergedOcc 0
