0 mol 11 unq 0 iso 0 dist 6.09937 4.73237 8.68293 6.89666 7.28643 4.61088 9.94905 14.8738 6.84216 9.68636 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.07476 5.8961 6.84216 10.2486 9.68636 4.61088 11.7765 14.8738 8.68293 7.28643 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.6586 13.2653 8.23075 9.54519 6.7846 5.54419 13.2236 6.0925 4.7841 8.03955 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 7.89667 5.3315 8.31381 6.88695 8.39015 8.34347 11.2671 6.92384 7.98005 12.5438 numMergedOcc 0
4 mol 113 unq 0 iso 0 dist 9.86767 4.36935 9.59585 8.89481 13.0914 5.86073 12.94 9.78508 9.7073 12.5818 numMergedOcc 0
5 mol 113 unq 1 iso 0 dist 7.08403 14.0364 7.02367 10.783 5.37655 5.86073 15.267 10.8127 9.30832 5.46207 numMergedOcc 0
6 mol 120 unq 0 iso 0 dist 8.03124 6.81949 8.38358 7.04864 3.35803 6.44653 11.0505 5.26524 7.53694 5.61274 numMergedOcc 0
7 mol 120 unq 1 iso 0 dist 9.16089 5.89379 6.42623 12.2464 5.6295 8.75408 14.6365 8.68088 8.95899 8.97962 numMergedOcc 0
8 mol 120 unq 2 iso 0 dist 9.16089 5.89379 6.42623 11.2107 3.824 6.44653 14.6365 8.68088 8.95899 4.96885 numMergedOcc 0
9 mol 129 unq 0 iso 0 dist 7.84813 5.56946 7.97548 13.5311 12.5321 8.54584 12.1544 5.83342 9.64164 11.3755 numMergedOcc 0
10 mol 169 unq 0 iso 0 dist 9.58901 4.34424 9.37946 11.5885 17.056 8.49164 12.3909 9.48187 9.13646 13.8168 numMergedOcc 0
11 mol 169 unq 1 iso 0 dist 9.58901 4.34424 9.37946 11.5885 17.056 8.49164 11.8557 12.9271 8.34216 11.1511 numMergedOcc 0
12 mol 253 unq 0 iso 0 dist 8.71119 11.8779 9.19385 9.1566 5.85692 7.32223 17.1407 11.5519 7.14243 9.00842 numMergedOcc 0
13 mol 253 unq 1 iso 0 dist 8.71119 11.8779 9.19385 9.1566 5.85692 7.32223 17.6285 13.6905 5.77511 11.5574 numMergedOcc 0
14 mol 253 unq 2 iso 0 dist 8.71119 11.8779 9.19385 9.1566 5.85692 7.32223 19.2745 15.953 7.81382 12.8384 numMergedOcc 0
15 mol 253 unq 3 iso 0 dist 8.71119 11.8779 9.19385 14.0212 6.0222 8.31064 17.1407 11.5519 7.14243 6.93212 numMergedOcc 0
16 mol 253 unq 4 iso 0 dist 8.71119 11.8779 9.19385 14.0212 6.0222 8.31064 17.6285 13.6905 5.77511 10.2118 numMergedOcc 0
17 mol 253 unq 5 iso 0 dist 8.71119 11.8779 9.19385 14.0212 6.0222 8.31064 19.2745 15.953 7.81382 12.4811 numMergedOcc 0
18 mol 253 unq 6 iso 0 dist 8.71119 15.4152 9.1927 14.0212 6.0222 6.73034 13.7898 6.8233 8.94786 8.57513 numMergedOcc 0
19 mol 253 unq 7 iso 0 dist 8.71119 15.4152 9.1927 14.0212 6.0222 6.73034 17.1407 11.5519 9.60694 6.93212 numMergedOcc 0
20 mol 253 unq 8 iso 0 dist 8.71119 15.4152 9.1927 14.0212 6.0222 6.73034 17.6285 13.6905 9.27311 10.2118 numMergedOcc 0
21 mol 258 unq 0 iso 0 dist 9.60767 11.6193 5.4557 12.8506 4.02333 6.97229 17.4576 8.40845 7.12221 6.24714 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 6.69951 8.70769 8.25897 6.42725 5.97386 5.30224 9.9749 4.6865 9.18798 5.96249 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 8.72101 6.76786 5.69112 14.3441 7.75371 9.7748 8.75619 3.75238 7.2091 11.3546 numMergedOcc 0
24 mol 277 unq 1 iso 0 dist 8.75619 6.76786 7.2091 14.3441 11.3546 9.7748 8.72101 3.75238 5.69112 7.75371 numMergedOcc 0
25 mol 277 unq 2 iso 0 dist 5.11998 10.8075 5.69112 9.29635 7.75371 9.7748 5.79925 3.75238 7.2091 11.3546 numMergedOcc 0
26 mol 277 unq 3 iso 0 dist 5.79925 10.8075 7.2091 9.29635 11.3546 9.7748 5.11998 3.75238 5.69112 7.75371 numMergedOcc 0
27 mol 277 unq 4 iso 0 dist 8.55906 12.9535 7.2091 17.1656 11.3546 9.7748 11.3414 3.75238 5.69112 7.75371 numMergedOcc 0
28 mol 277 unq 5 iso 0 dist 5.55523 11.2385 7.2091 16.5518 11.3546 9.7748 8.87837 3.75238 5.69112 7.75371 numMergedOcc 0
