0 mol 9 unq 0 iso 0 dist 8.46229 9.93406 7.32257 13.6879 8.50424 7.35972 14.9025 11.0167 5.43306 9.93542 numMergedOcc 0
1 mol 11 unq 0 iso 0 dist 5.95165 4.46394 5.96346 11.7593 10.7734 7.98326 10.366 13.3734 8.05578 7.90478 numMergedOcc 0
2 mol 11 unq 1 iso 0 dist 5.95165 4.46394 5.96346 7.95811 9.62262 7.46578 10.366 13.3734 8.05578 7.16561 numMergedOcc 0
3 mol 11 unq 2 iso 0 dist 5.7435 4.24301 6.35398 11.4417 10.9183 7.98326 10.4568 13.5138 8.00765 7.46578 numMergedOcc 0
4 mol 11 unq 3 iso 0 dist 5.7435 4.24301 6.35398 8.23032 9.99434 7.90478 10.4568 13.5138 8.00765 7.16561 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 9.54519 12.1061 8.4051 18.4559 12.176 6.72323 19.765 11.3566 9.92026 5.95834 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 9.54519 12.1061 8.4051 18.4559 12.176 6.72323 16.8563 9.83002 6.16544 4.2121 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 9.54519 12.1061 8.4051 18.4559 12.176 6.72323 21.4905 16.8439 10.2653 8.00171 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 6.11056 11.095 8.60554 16.6031 14.012 6.72323 18.311 17.592 9.92026 5.95834 numMergedOcc 0
9 mol 24 unq 4 iso 0 dist 6.11056 11.095 8.60554 16.6031 14.012 6.72323 14.4475 13.4393 6.16544 4.2121 numMergedOcc 0
10 mol 24 unq 5 iso 0 dist 6.11056 11.095 8.60554 16.6031 14.012 6.72323 14.5388 12.9284 10.2653 8.00171 numMergedOcc 0
11 mol 25 unq 0 iso 0 dist 8.40051 4.32173 6.16347 8.78181 6.08585 6.25843 16.0077 13.8469 12.6805 8.88938 numMergedOcc 0
12 mol 25 unq 1 iso 0 dist 8.6396 4.32173 7.45383 8.78181 5.77929 6.25843 16.0077 9.01548 12.6805 8.88938 numMergedOcc 0
13 mol 25 unq 2 iso 0 dist 8.6396 16.0077 9.01548 8.78181 5.77929 8.88938 4.32173 7.45383 12.6805 6.25843 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 7.5819 4.00923 7.52354 13.887 14.3301 9.91054 8.245 11.3767 5.74171 9.60622 numMergedOcc 0
15 mol 98 unq 0 iso 0 dist 5.9747 7.43001 6.65501 10.9995 7.06961 6.88901 11.9783 11.3043 10.2754 7.36769 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 4.50572 9.5305 6.65501 11.1541 7.06961 6.88901 13.4604 11.3043 10.2754 7.36769 numMergedOcc 0
17 mol 171 unq 0 iso 0 dist 6.07091 4.98945 9.61462 8.81813 11.5561 5.25109 7.86682 11.1373 7.9115 7.22518 numMergedOcc 0
18 mol 171 unq 1 iso 0 dist 6.07091 4.98945 9.61462 10.1083 10.844 8.21618 7.86682 11.1373 7.9115 7.58499 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 9.58911 12.0718 6.22122 15.9008 13.0409 8.86197 21.2145 16.6729 11.5564 5.94379 numMergedOcc 0
20 mol 192 unq 0 iso 0 dist 9.90531 11.0516 8.77999 17.1417 12.717 6.60053 19.3596 17.9671 9.52218 8.26288 numMergedOcc 0
21 mol 196 unq 0 iso 0 dist 8.79558 11.4857 6.86319 17.9837 10.645 7.21349 23.4054 14.7256 15.4429 9.62455 numMergedOcc 0
