0 mol 17 unq 0 iso 0 dist 6.60096 8.27744 7.92012 10.3964 6.43075 5.16502 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 6.60096 8.27744 7.92012 15.1953 11.3153 8.26398 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 7.42925 6.30672 7.48846 10.6997 8.06674 6.53981 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 5.7405 14.2744 9.17082 15.3713 10.1455 8.75957 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 8.66742 5.97684 5.50508 9.25447 3.98877 6.89071 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 4.96613 5.24592 7.14031 11.7061 10.256 7.54574 numMergedOcc 0
6 mol 116 unq 0 iso 0 dist 6.63731 10.0162 8.38606 9.60481 4.13755 8.58308 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 7.35385 7.20376 6.75376 9.80185 3.80763 9.59109 numMergedOcc 0
8 mol 141 unq 1 iso 0 dist 8.35864 7.20376 9.10042 9.80185 9.98068 9.59109 numMergedOcc 0
9 mol 184 unq 0 iso 0 dist 5.0207 8.44389 7.54099 8.7823 4.12242 7.02762 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 9.53805 8.03698 6.21159 7.005 5.39534 5.25762 numMergedOcc 0
11 mol 232 unq 0 iso 0 dist 9.92671 13.2481 9.78181 18.2852 12.3206 9.78273 numMergedOcc 0
12 mol 232 unq 1 iso 0 dist 6.23146 13.2043 9.8664 13.3682 12.159 9.78273 numMergedOcc 0
13 mol 250 unq 0 iso 0 dist 9.62767 13.7548 9.70149 12.9788 4.14699 9.25035 numMergedOcc 0
14 mol 250 unq 1 iso 0 dist 5.99119 12.1185 9.70149 8.54286 4.14699 9.25035 numMergedOcc 0
15 mol 256 unq 0 iso 0 dist 7.40057 10.7996 6.33496 13.271 10.03 6.63831 numMergedOcc 0
16 mol 256 unq 1 iso 0 dist 7.40057 10.7996 6.33496 10.1266 4.26681 9.23909 numMergedOcc 0
17 mol 256 unq 2 iso 0 dist 7.40057 6.82173 6.00636 13.271 10.03 8.08629 numMergedOcc 0
18 mol 256 unq 3 iso 0 dist 7.40057 14.0229 7.81448 10.1266 4.26681 9.16597 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 5.92532 5.10104 8.20644 9.48076 12.1127 6.23115 numMergedOcc 0
