0 mol 30 unq 0 iso 0 dist 7.85546 9.39194 6.38009 9.55457 7.48723 11.1983 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 7.85546 7.30322 11.1138 9.55457 7.48723 15.7492 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.16033 6.77802 3.85506 3.42062 9.42099 9.05737 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 8.31952 9.48328 10.8889 8.81271 7.84895 15.6593 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 8.31952 9.48328 10.8889 10.3594 5.8541 15.5128 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 8.31952 9.48328 10.8889 13.5251 5.82264 12.867 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 8.31952 9.48328 10.8889 8.11968 7.20729 8.65524 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 8.31952 9.48328 10.8889 4.70736 5.72703 10.0937 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 8.62881 6.35305 6.882 16.9936 9.69694 15.8067 numMergedOcc 0
9 mol 93 unq 0 iso 0 dist 7.24843 8.23294 5.01255 3.27874 5.56839 5.20429 numMergedOcc 0
10 mol 93 unq 1 iso 0 dist 7.24843 8.2702 9.11323 3.27874 5.56839 8.71366 numMergedOcc 0
11 mol 93 unq 2 iso 0 dist 7.63783 8.23294 8.98901 3.27874 7.83506 5.20429 numMergedOcc 0
12 mol 93 unq 3 iso 0 dist 7.63783 8.2702 8.52329 3.27874 7.83506 8.71366 numMergedOcc 0
13 mol 93 unq 4 iso 0 dist 6.70158 8.61597 14.19 3.99275 7.48947 11.5475 numMergedOcc 0
14 mol 109 unq 0 iso 0 dist 6.45174 5.81859 9.63255 8.58563 5.54226 11.0867 numMergedOcc 0
15 mol 123 unq 0 iso 0 dist 7.36361 8.09682 7.88813 5.85997 9.42762 13.5017 numMergedOcc 0
16 mol 123 unq 1 iso 0 dist 7.36361 8.09682 7.88813 3.61945 7.30244 5.56127 numMergedOcc 0
17 mol 123 unq 2 iso 0 dist 7.36361 8.35926 4.10526 5.85997 9.42762 8.78115 numMergedOcc 0
18 mol 123 unq 3 iso 0 dist 7.36361 8.35926 4.10526 3.61945 7.30244 8.03692 numMergedOcc 0
19 mol 123 unq 4 iso 0 dist 7.36361 7.41568 12.6384 5.85997 9.42762 12.1434 numMergedOcc 0
20 mol 123 unq 5 iso 0 dist 7.36361 7.41568 12.6384 3.61945 7.30244 5.36214 numMergedOcc 0
21 mol 141 unq 0 iso 0 dist 6.93424 8.14978 3.80763 14.9967 8.40695 10.3516 numMergedOcc 0
22 mol 141 unq 1 iso 0 dist 6.93424 8.14978 3.80763 14.2035 9.35867 12.6128 numMergedOcc 0
23 mol 141 unq 2 iso 0 dist 6.8891 8.14978 9.98068 14.2035 9.38036 12.6128 numMergedOcc 0
24 mol 182 unq 0 iso 0 dist 9.38111 8.54982 7.30933 14.9932 9.98182 15.8128 numMergedOcc 0
25 mol 182 unq 1 iso 0 dist 9.38111 8.54982 7.30933 7.7167 9.02127 13.1677 numMergedOcc 0
26 mol 193 unq 0 iso 0 dist 6.77983 7.73964 5.96435 5.57164 9.9042 12.6747 numMergedOcc 0
27 mol 193 unq 1 iso 0 dist 7.06538 7.73964 12.8368 5.57164 6.21262 12.6747 numMergedOcc 0
28 mol 194 unq 0 iso 0 dist 7.71806 4.55528 3.7326 4.02402 8.43182 5.10542 numMergedOcc 0
29 mol 194 unq 1 iso 0 dist 7.71806 4.42095 7.29209 4.02402 8.43182 4.68722 numMergedOcc 0
30 mol 230 unq 0 iso 0 dist 9.3968 9.64987 6.21317 9.61033 8.91416 11.1421 numMergedOcc 0
31 mol 230 unq 1 iso 0 dist 9.3968 7.12149 11.6032 9.61033 8.91416 15.6719 numMergedOcc 0
32 mol 281 unq 0 iso 0 dist 6.67593 7.43535 3.78169 3.86368 6.18742 7.90368 numMergedOcc 0
33 mol 281 unq 1 iso 0 dist 6.67593 7.43535 3.78169 7.4282 6.8089 9.46544 numMergedOcc 0
