0 mol 8 unq 0 iso 0 dist 6.82379 7.03958 5.65816 4.94497 8.77457 11.3039 5.7531 7.12263 7.27018 7.35217 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 7.3915 8.53529 5.65816 14.1378 8.77457 11.3039 8.79272 7.12263 7.27018 7.35217 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 7.05346 7.32257 8.88528 8.50424 8.076 7.35972 9.87669 12.419 6.59455 13.7528 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 7.9944 6.55811 4.58685 6.02809 6.32226 7.35972 11.4245 10.5473 6.59455 13.7528 numMergedOcc 0
4 mol 9 unq 2 iso 0 dist 7.9944 8.48677 9.06304 6.02809 6.32226 12.3519 11.4245 10.5473 5.71201 13.7528 numMergedOcc 0
5 mol 9 unq 3 iso 0 dist 7.032 8.64915 4.58685 4.98827 6.32226 7.35972 14.7278 10.5473 6.59455 13.7528 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 6.60423 9.41441 11.9395 4.32034 9.69752 8.00171 11.1124 15.8538 6.2004 7.72688 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 6.60423 9.41441 11.9395 8.52463 9.36461 6.72323 11.1124 15.8538 6.2004 11.8207 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 4.93188 6.73939 10.0715 5.11617 4.90592 6.72323 10.2913 14.8246 6.2004 11.8207 numMergedOcc 0
9 mol 24 unq 3 iso 0 dist 4.93188 6.73939 10.0715 10.8238 8.16324 15.7523 10.2913 14.8246 6.2004 19.1806 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 8.65802 7.52354 5.8102 13.534 8.57827 12.3938 7.23437 7.39754 8.29345 15.1698 numMergedOcc 0
11 mol 92 unq 1 iso 0 dist 8.65802 7.52354 5.8102 5.83515 7.94453 10.5663 7.23437 7.39754 8.29345 6.82081 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 6.34525 6.84011 8.51024 12.7083 9.35942 14.1286 11.177 12.7405 9.17466 11.4429 numMergedOcc 0
13 mol 131 unq 0 iso 0 dist 9.29384 8.70296 10.8127 13.1439 5.44303 15.6807 7.73656 9.35938 6.48674 12.4908 numMergedOcc 0
14 mol 131 unq 1 iso 0 dist 9.29384 8.70296 10.8127 13.7237 8.50562 18.6956 7.73656 9.35938 6.48674 15.66 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 7.86572 9.97343 5.38571 10.1432 4.46777 6.83404 13.8236 11.3342 7.64956 9.53115 numMergedOcc 0
16 mol 141 unq 1 iso 0 dist 7.86572 9.97343 5.38571 9.43674 6.94988 11.8798 13.8236 11.3342 7.64956 15.4122 numMergedOcc 0
17 mol 175 unq 0 iso 0 dist 7.35824 9.39352 10.3786 11.8693 5.89564 16.2138 4.24624 11.3531 9.71028 16.0477 numMergedOcc 0
18 mol 175 unq 1 iso 0 dist 7.35824 9.39352 10.3786 6.77832 5.60528 13.4698 4.24624 11.3531 9.71028 10.4154 numMergedOcc 0
19 mol 175 unq 2 iso 0 dist 9.17364 9.39352 11.9672 6.77832 5.5995 13.4698 4.24624 11.7939 9.71028 10.4154 numMergedOcc 0
20 mol 194 unq 0 iso 0 dist 6.26839 8.65535 5.92931 11.6598 5.68348 6.1886 6.66155 5.52678 6.37788 8.43261 numMergedOcc 0
21 mol 194 unq 1 iso 0 dist 6.26839 8.65535 5.92931 11.6598 5.68348 6.1886 5.4499 9.81666 8.7028 13.8424 numMergedOcc 0
22 mol 232 unq 0 iso 0 dist 7.83711 9.05071 13.8622 4.9377 6.57921 9.8664 14.8035 17.6303 8.28466 12.721 numMergedOcc 0
