0 mol 9 unq 0 iso 0 dist 5.55437 8.076 7.28672 8.88528 10.7921 7.35972 12.419 15.0792 13.7528 6.59455 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 5.38458 6.32226 5.60208 4.58685 9.17615 7.35972 10.5473 15.4774 13.7528 6.59455 numMergedOcc 0
2 mol 10 unq 0 iso 0 dist 8.38836 5.40169 7.71365 9.61828 11.4156 5.59965 13.3259 11.7006 7.99067 8.00369 numMergedOcc 0
3 mol 10 unq 1 iso 0 dist 8.13471 8.00369 7.50126 7.99067 11.9937 5.59965 13.3259 16.8632 9.61828 5.40169 numMergedOcc 0
4 mol 11 unq 0 iso 0 dist 9.19218 8.7143 5.51131 7.51068 11.8375 7.5459 14.1195 12.0788 7.18398 8.70462 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 9.40479 4.90592 6.99746 10.0715 11.5841 6.72323 14.8246 14.213 11.8207 6.2004 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 9.38831 9.69752 10.025 11.9395 11.5841 8.00171 15.8538 14.213 7.72688 6.2004 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 9.38831 9.36461 6.99746 11.9395 11.5841 6.72323 15.8538 14.213 11.8207 6.2004 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 9.58012 4.90592 11.8996 10.0715 18.2994 6.72323 14.8246 23.62 11.8207 6.2004 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 8.48184 7.39179 13.3326 9.98219 12.8873 9.91054 9.01011 7.72337 9.01596 8.29345 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 7.39754 8.29345 5.8102 9.01596 10.9559 9.91054 9.01011 6.9603 9.98219 7.39179 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 7.76594 5.39061 5.66194 5.67023 5.44303 5.87084 14.2709 8.59447 11.6708 8.92828 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 8.93453 7.64956 6.06881 9.53115 12.3976 6.83404 11.3342 11.2323 5.38571 4.46777 numMergedOcc 0
13 mol 141 unq 1 iso 0 dist 8.26172 4.46777 6.52248 5.38571 11.5185 6.83404 11.3342 12.7739 9.53115 7.64956 numMergedOcc 0
14 mol 171 unq 0 iso 0 dist 7.82546 7.32555 6.29877 9.54524 11.4752 5.25109 16.211 14.1489 9.18337 8.1536 numMergedOcc 0
15 mol 171 unq 1 iso 0 dist 9.75627 8.1536 11.6944 9.18337 13.2038 5.25109 16.211 17.8605 9.54524 7.32555 numMergedOcc 0
16 mol 193 unq 0 iso 0 dist 5.44396 7.8141 6.03632 3.98356 8.67745 9.40801 6.22972 6.94466 7.58433 9.41624 numMergedOcc 0
17 mol 193 unq 1 iso 0 dist 6.22972 7.8141 7.58433 3.98356 9.41624 9.40801 5.44396 6.94466 6.03632 8.67745 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 5.52678 5.68348 8.43261 5.92931 6.37788 6.1886 9.81666 7.62717 13.8424 8.7028 numMergedOcc 0
19 mol 194 unq 1 iso 0 dist 9.81666 5.68348 13.8424 5.92931 8.7028 6.1886 5.52678 7.62717 8.43261 6.37788 numMergedOcc 0
20 mol 237 unq 0 iso 0 dist 7.63812 5.06628 6.26206 5.90415 5.6703 8.10254 10.3656 5.21327 9.25593 9.54499 numMergedOcc 0
21 mol 237 unq 1 iso 0 dist 8.51129 5.06628 3.97854 5.90415 10.9011 8.10254 10.3656 8.14418 9.25593 9.54499 numMergedOcc 0
22 mol 237 unq 2 iso 0 dist 8.51129 5.06628 3.97854 5.90415 10.9011 8.10254 7.63812 6.92726 6.26206 5.6703 numMergedOcc 0
23 mol 237 unq 3 iso 0 dist 9.53139 9.54499 11.2776 9.25593 16.3123 8.10254 10.3656 14.4235 5.90415 5.06628 numMergedOcc 0
