0 mol 17 unq 0 iso 0 dist 6.60096 7.65445 3.62282 5.01551 7.25951 10.0182 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 6.60096 7.65445 3.62282 8.27744 7.92012 9.02577 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 7.42925 7.49423 11.1199 6.30672 7.48846 13.031 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 7.78475 9.54119 7.17582 6.21391 9.49774 11.4443 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 7.78475 7.87476 10.6665 6.21391 9.49774 13.2186 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 6.34966 4.90093 3.99506 9.80391 6.74766 10.3263 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 5.76109 7.37377 5.01255 5.15472 8.74378 10.6633 numMergedOcc 0
7 mol 93 unq 1 iso 0 dist 5.76109 9.15802 4.76749 5.15472 8.74378 12.4787 numMergedOcc 0
8 mol 93 unq 2 iso 0 dist 8.0955 7.37377 8.98901 5.15472 8.89417 10.6633 numMergedOcc 0
9 mol 93 unq 3 iso 0 dist 8.0955 7.37377 8.98901 9.30737 9.95255 15.5723 numMergedOcc 0
10 mol 93 unq 4 iso 0 dist 8.0955 9.15802 5.73248 5.15472 8.89417 12.4787 numMergedOcc 0
11 mol 93 unq 5 iso 0 dist 8.0955 9.15802 5.73248 9.30737 9.95255 11.6044 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 7.78223 9.00059 3.67473 9.76297 8.42878 10.9536 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 7.35385 9.80185 3.80763 7.20376 6.75376 9.59109 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 8.35864 9.80185 9.98068 7.20376 9.10042 9.59109 numMergedOcc 0
15 mol 141 unq 2 iso 0 dist 8.35864 9.80185 9.98068 10.1764 9.75059 13.5458 numMergedOcc 0
16 mol 141 unq 3 iso 0 dist 8.35864 9.80185 9.98068 14.3045 6.83404 15.8537 numMergedOcc 0
17 mol 156 unq 0 iso 0 dist 9.6281 9.15935 18.3899 9.69888 8.37434 15.2756 numMergedOcc 0
18 mol 184 unq 0 iso 0 dist 5.0207 8.98606 6.04545 8.44389 7.54099 13.0767 numMergedOcc 0
19 mol 186 unq 0 iso 0 dist 9.53805 7.005 5.39534 8.03698 6.21159 5.25762 numMergedOcc 0
20 mol 237 unq 0 iso 0 dist 5.62039 5.12878 3.68966 8.50643 8.10254 10.2985 numMergedOcc 0
21 mol 250 unq 0 iso 0 dist 5.99119 8.54286 4.14699 12.1185 9.70149 9.25035 numMergedOcc 0
22 mol 265 unq 0 iso 0 dist 7.49913 6.80043 6.31696 11.806 8.984 9.57517 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 5.92532 9.48076 12.1127 5.10104 8.20644 6.23115 numMergedOcc 0
