0 mol 28 unq 0 iso 0 dist 7.64064 11.8666 9.20625 11.1518 4.30283 8.40467 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.52826 10.0697 8.33169 11.4931 4.80296 7.24073 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 4.44406 11.3388 7.32236 15.4702 11.1757 7.67459 numMergedOcc 0
3 mol 81 unq 0 iso 0 dist 5.62329 4.37412 6.94359 7.31138 4.69212 9.24998 numMergedOcc 0
4 mol 120 unq 0 iso 0 dist 9.64066 13.3185 8.02616 13.7083 5.72591 8.8894 numMergedOcc 0
5 mol 152 unq 0 iso 0 dist 4.58432 13.0972 9.17101 16.6493 12.2127 9.27341 numMergedOcc 0
6 mol 210 unq 0 iso 0 dist 8.34886 12.7923 6.93215 15.8205 7.54885 8.50367 numMergedOcc 0
7 mol 210 unq 1 iso 0 dist 8.34886 12.7923 6.93215 16.5009 10.4785 8.94889 numMergedOcc 0
8 mol 240 unq 0 iso 0 dist 6.43461 12.7163 8.46413 11.2308 6.01197 6.50985 numMergedOcc 0
9 mol 240 unq 1 iso 0 dist 8.87826 13.4156 8.46413 14.2118 6.01197 6.50985 numMergedOcc 0
10 mol 261 unq 0 iso 0 dist 7.64813 6.34679 9.05171 7.22085 5.02504 8.96253 numMergedOcc 0
11 mol 261 unq 1 iso 0 dist 6.85252 6.34679 5.46946 7.22085 4.34203 8.96253 numMergedOcc 0
12 mol 282 unq 0 iso 0 dist 7.43826 4.1516 9.82919 11.9479 14.1269 8.30313 numMergedOcc 0
13 mol 287 unq 0 iso 0 dist 8.27165 14.765 9.82863 12.971 4.70335 9.30394 numMergedOcc 0
14 mol 287 unq 1 iso 0 dist 8.27165 14.765 9.82863 16.5313 9.38112 5.84467 numMergedOcc 0
15 mol 287 unq 2 iso 0 dist 8.0077 14.4188 9.82863 8.01428 4.70335 9.30394 numMergedOcc 0
16 mol 287 unq 3 iso 0 dist 8.0077 14.4188 9.82863 13.925 9.38112 5.84467 numMergedOcc 0
17 mol 288 unq 0 iso 0 dist 8.27165 14.765 9.82863 12.971 4.70335 9.30394 numMergedOcc 0
18 mol 288 unq 1 iso 0 dist 8.27165 14.765 9.82863 16.5313 9.38112 5.84467 numMergedOcc 0
19 mol 288 unq 2 iso 0 dist 8.0077 14.4188 9.82863 8.01428 4.70335 9.30394 numMergedOcc 0
20 mol 288 unq 3 iso 0 dist 8.0077 14.4188 9.82863 13.925 9.38112 5.84467 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 8.27165 14.765 9.82863 12.971 4.70335 9.30394 numMergedOcc 0
22 mol 289 unq 1 iso 0 dist 8.27165 14.765 9.82863 16.5313 9.38112 5.84467 numMergedOcc 0
23 mol 289 unq 2 iso 0 dist 8.0077 14.4188 9.82863 8.01428 4.70335 9.30394 numMergedOcc 0
24 mol 289 unq 3 iso 0 dist 8.0077 14.4188 9.82863 13.925 9.38112 5.84467 numMergedOcc 0
