0 mol 43 unq 0 iso 0 dist 8.80331 6.20293 8.13395 14.0634 9.89546 14.792 5.41726 6.6263 6.75943 9.05723 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 6.20293 8.80331 8.13395 6.09486 9.07906 14.1869 5.41726 6.75943 6.6263 11.2174 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 9.96708 9.78528 8.24309 11.8198 4.69674 10.2718 7.47371 7.12321 6.21799 6.75732 numMergedOcc 0
3 mol 72 unq 1 iso 0 dist 9.96708 9.78528 8.24309 11.8198 4.69674 10.2718 9.67587 9.35457 5.03251 9.04855 numMergedOcc 0
4 mol 72 unq 2 iso 0 dist 9.96708 9.78528 8.24309 11.8198 4.69674 10.2718 7.07356 12.1131 7.66093 12.4981 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 8.70481 9.96396 14.9342 10.169 5.62694 17.3112 5.70116 12.8207 9.73086 12.2533 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 8.70481 6.19304 13.3558 10.169 5.62694 15.7282 6.20232 13.8931 8.68662 13.0718 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 8.70481 6.19304 13.3558 10.169 5.62694 15.7282 5.70116 12.8207 7.4369 12.2533 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 7.97049 6.19965 5.42586 5.46695 8.77199 8.81824 4.41789 10.2413 7.7068 9.85117 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 7.47541 7.66905 5.42586 11.3211 8.77199 8.81824 5.59906 10.2413 7.7068 9.85117 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 7.27724 8.03644 8.41707 14.2706 8.69749 16.0612 15.6249 15.6447 8.27883 23.1583 numMergedOcc 0
11 mol 95 unq 1 iso 0 dist 7.27724 8.03644 8.41707 14.2706 8.69749 16.0612 12.4896 14.0772 5.75428 21.0857 numMergedOcc 0
12 mol 95 unq 2 iso 0 dist 7.27724 8.03644 8.41707 14.2706 8.69749 16.0612 14.2178 14.1515 8.57395 18.5084 numMergedOcc 0
13 mol 95 unq 3 iso 0 dist 7.27724 8.03644 8.41707 14.2706 8.69749 16.0612 8.78079 10.3132 9.85409 13.2679 numMergedOcc 0
14 mol 95 unq 4 iso 0 dist 7.27724 8.03644 8.41707 11.0946 5.96576 14.145 15.6249 15.6447 8.27883 21.5042 numMergedOcc 0
15 mol 95 unq 5 iso 0 dist 7.27724 8.03644 8.41707 11.0946 5.96576 14.145 12.4896 14.0772 5.75428 19.6032 numMergedOcc 0
16 mol 95 unq 6 iso 0 dist 7.27724 8.03644 8.41707 11.0946 5.96576 14.145 14.2178 14.1515 8.57395 18.3388 numMergedOcc 0
17 mol 95 unq 7 iso 0 dist 7.27724 8.03644 8.41707 11.0946 5.96576 14.145 8.78079 10.3132 9.85409 12.522 numMergedOcc 0
18 mol 100 unq 0 iso 0 dist 7.17106 9.60661 11.5403 8.07597 7.98814 15.4133 4.03277 10.5432 8.91882 9.83824 numMergedOcc 0
19 mol 152 unq 0 iso 0 dist 8.87437 5.87555 5.49936 8.18329 5.7527 8.86966 4.94983 10.4895 6.70693 10.8368 numMergedOcc 0
20 mol 152 unq 1 iso 0 dist 6.70283 8.56324 7.65448 5.97115 8.86966 13.4958 5.39112 6.70693 6.59889 10.8368 numMergedOcc 0
21 mol 152 unq 2 iso 0 dist 6.70283 8.56324 7.65448 5.97115 8.86966 13.4958 4.84714 9.27706 8.9192 10.2991 numMergedOcc 0
22 mol 152 unq 3 iso 0 dist 7.16148 8.56324 10.6875 5.97115 5.7527 13.4958 5.39112 10.4895 6.59889 10.8368 numMergedOcc 0
23 mol 152 unq 4 iso 0 dist 7.16148 8.56324 10.6875 5.97115 5.7527 13.4958 4.84714 11.6735 8.9192 10.2991 numMergedOcc 0
24 mol 152 unq 5 iso 0 dist 7.16148 6.70283 5.49936 5.97115 5.7527 8.86966 5.39112 10.4895 6.70693 10.8368 numMergedOcc 0
25 mol 152 unq 6 iso 0 dist 8.05741 8.67331 5.49936 4.36394 5.7527 8.86966 9.67475 10.4895 6.70693 10.8368 numMergedOcc 0
26 mol 178 unq 0 iso 0 dist 7.17202 6.69288 11.7381 4.43082 6.55543 8.4173 6.42973 13.2692 7.06025 7.86021 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 9.70748 7.54065 13.8792 6.61139 9.28036 12.2442 11.0961 18.4751 6.61112 17.1924 numMergedOcc 0
28 mol 192 unq 0 iso 0 dist 5.59424 7.00794 5.76246 10.375 8.63044 14.2991 6.35474 5.64942 6.97962 10.8255 numMergedOcc 0
29 mol 192 unq 1 iso 0 dist 5.59424 7.00794 5.76246 10.375 8.63044 14.2991 5.25965 7.43054 6.79229 12.9782 numMergedOcc 0
