0 mol 29 unq 0 iso 0 dist 9.99467 5.97548 5.36278 5.28538 8.53135 6.69806 4.31895 7.28761 4.10356 7.27473 numMergedOcc 0
1 mol 29 unq 1 iso 0 dist 9.99467 9.88128 7.50258 5.28538 8.53135 5.82508 4.31895 7.28761 10.3687 7.27473 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.76585 6.95983 8.84944 14.0003 7.67459 11.3412 6.90686 7.32236 10.9311 11.1757 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 9.76585 11.3999 7.21995 14.0003 7.67459 5.88097 6.90686 7.32236 6.43999 11.1757 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.73093 12.3943 7.48556 8.84457 8.08507 15.0455 12.2641 8.61566 10.5152 10.1704 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 8.73093 12.3943 7.48556 8.84457 8.08507 15.0455 5.3163 5.02942 9.39279 6.7679 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 8.02104 9.57143 7.48556 10.8656 8.08507 15.0455 11.4792 8.61566 10.5152 10.1704 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 8.02104 9.57143 7.48556 10.8656 8.08507 15.0455 5.18759 5.02942 9.39279 6.7679 numMergedOcc 0
8 mol 152 unq 0 iso 0 dist 9.66811 7.14779 9.65031 6.72526 9.27341 12.1354 13.2207 9.17101 10.9552 12.2127 numMergedOcc 0
9 mol 152 unq 1 iso 0 dist 9.66811 9.85198 8.51844 6.72526 9.27341 6.67687 13.2207 9.17101 6.05258 12.2127 numMergedOcc 0
10 mol 158 unq 0 iso 0 dist 8.80952 11.2678 9.96635 9.41162 8.95432 17.5374 8.84312 8.79758 10.1247 11.8233 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 6.36789 12.6035 6.72718 9.85164 9.60838 11.315 10.9895 8.11956 11.4764 11.4066 numMergedOcc 0
12 mol 192 unq 0 iso 0 dist 9.78743 13.2525 6.2016 9.99333 5.83093 6.16078 15.5077 5.90008 7.71442 8.82579 numMergedOcc 0
13 mol 239 unq 0 iso 0 dist 4.53228 10.9464 8.26312 4.53635 7.10828 13.8702 13.1778 9.90442 7.80147 13.6835 numMergedOcc 0
14 mol 239 unq 1 iso 0 dist 4.53228 6.54316 7.58554 4.53635 7.10828 8.46058 13.1778 9.90442 10.7751 13.6835 numMergedOcc 0
15 mol 239 unq 2 iso 0 dist 8.54078 10.4394 8.26312 9.93977 7.10828 13.8702 15.589 9.90442 7.80147 13.6835 numMergedOcc 0
16 mol 239 unq 3 iso 0 dist 8.54078 6.2497 7.58554 9.93977 7.10828 8.46058 15.589 9.90442 10.7751 13.6835 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 6.19545 5.27724 5.15923 10.5258 9.30394 11.7624 13.3799 9.82863 13.3487 4.70335 numMergedOcc 0
18 mol 287 unq 1 iso 0 dist 6.19545 5.27724 5.15923 5.45438 5.84467 5.58788 13.3799 9.82863 13.3487 9.38112 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 6.19545 5.27724 5.15923 10.5258 9.30394 11.7624 13.3799 9.82863 13.3487 4.70335 numMergedOcc 0
20 mol 288 unq 1 iso 0 dist 6.19545 5.27724 5.15923 5.45438 5.84467 5.58788 13.3799 9.82863 13.3487 9.38112 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 6.19545 5.27724 5.15923 10.5258 9.30394 11.7624 13.3799 9.82863 13.3487 4.70335 numMergedOcc 0
22 mol 289 unq 1 iso 0 dist 6.19545 5.27724 5.15923 5.45438 5.84467 5.58788 13.3799 9.82863 13.3487 9.38112 numMergedOcc 0
