0 mol 11 unq 0 iso 0 dist 6.09937 4.73237 8.68293 6.89666 7.28643 4.61088 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.07476 5.8961 6.84216 10.2486 9.68636 4.61088 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.6586 13.2653 8.23075 9.54519 6.7846 5.54419 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 7.89667 5.3315 8.31381 6.88695 8.39015 8.34347 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 7.36836 5.66535 9.99939 13.8432 19.1023 9.24927 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 4.90216 10.9658 8.30217 14.2274 9.65136 8.95999 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.4515 3.97569 6.23522 11.3877 4.73407 9.38498 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 8.4515 12.4903 9.10566 10.7935 3.85805 5.93252 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 6.46582 8.78063 7.61521 6.4551 3.69293 6.97941 numMergedOcc 0
9 mol 85 unq 0 iso 0 dist 9.86038 5.8457 8.04242 11.847 5.76272 7.95579 numMergedOcc 0
10 mol 85 unq 1 iso 0 dist 9.86038 5.8457 8.04242 9.89682 8.18948 6.19965 numMergedOcc 0
11 mol 85 unq 2 iso 0 dist 9.86038 5.8457 8.04242 11.3695 14.113 7.66905 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 7.74924 5.77535 7.51733 11.5827 4.73066 9.03572 numMergedOcc 0
13 mol 95 unq 1 iso 0 dist 7.74924 9.35848 9.01607 11.5827 4.73066 8.83255 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 9.86767 4.36935 9.59585 8.89481 13.0914 5.86073 numMergedOcc 0
15 mol 113 unq 1 iso 0 dist 7.08403 14.0364 7.02367 10.783 5.37655 5.86073 numMergedOcc 0
16 mol 120 unq 0 iso 0 dist 8.03124 6.81949 8.38358 7.04864 3.35803 6.44653 numMergedOcc 0
17 mol 120 unq 1 iso 0 dist 9.16089 5.89379 6.42623 12.2464 5.6295 8.75408 numMergedOcc 0
18 mol 120 unq 2 iso 0 dist 9.16089 5.89379 6.42623 11.2107 3.824 6.44653 numMergedOcc 0
19 mol 122 unq 0 iso 0 dist 6.80798 4.42285 4.42563 9.69426 7.90729 8.37808 numMergedOcc 0
20 mol 129 unq 0 iso 0 dist 7.84813 5.56946 7.97548 13.5311 12.5321 8.54584 numMergedOcc 0
21 mol 129 unq 1 iso 0 dist 7.84813 6.4379 9.9291 13.5311 12.5321 8.53613 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 4.82356 4.84607 5.78814 9.3894 6.12885 6.5107 numMergedOcc 0
23 mol 133 unq 1 iso 0 dist 8.83476 11.981 5.78814 14.1938 6.12885 6.5107 numMergedOcc 0
24 mol 167 unq 0 iso 0 dist 8.95296 6.32863 5.36671 12.2455 12.8624 9.87651 numMergedOcc 0
25 mol 167 unq 1 iso 0 dist 6.10021 5.48405 5.36671 15.1956 12.8624 9.87651 numMergedOcc 0
26 mol 169 unq 0 iso 0 dist 9.58901 4.34424 9.37946 11.5885 17.056 8.49164 numMergedOcc 0
27 mol 180 unq 0 iso 0 dist 7.58661 6.54937 9.63576 9.88732 4.38407 9.62337 numMergedOcc 0
28 mol 180 unq 1 iso 0 dist 5.81023 6.91082 9.63576 5.77949 4.38407 9.62337 numMergedOcc 0
29 mol 180 unq 2 iso 0 dist 7.80553 10.1423 9.63576 8.68403 4.38407 9.62337 numMergedOcc 0
30 mol 205 unq 0 iso 0 dist 8.93485 4.2475 9.31158 13.2057 10.8636 9.61492 numMergedOcc 0
31 mol 205 unq 1 iso 0 dist 8.93485 4.2475 9.31158 6.752 5.42503 7.45763 numMergedOcc 0
32 mol 205 unq 2 iso 0 dist 5.66636 6.8901 9.31158 13.3164 10.8636 9.61492 numMergedOcc 0
33 mol 205 unq 3 iso 0 dist 5.66636 6.8901 9.31158 5.4913 5.42503 7.45763 numMergedOcc 0
34 mol 210 unq 0 iso 0 dist 9.25184 3.84723 6.85824 8.62103 4.29623 6.18308 numMergedOcc 0
35 mol 214 unq 0 iso 0 dist 9.68612 5.67031 9.06459 10.961 4.15355 8.82096 numMergedOcc 0
36 mol 222 unq 0 iso 0 dist 4.90656 4.82768 5.1609 10.8522 6.91863 8.01589 numMergedOcc 0
37 mol 222 unq 1 iso 0 dist 4.90656 4.82768 5.1609 10.0664 8.26703 7.7699 numMergedOcc 0
38 mol 222 unq 2 iso 0 dist 4.90656 4.82768 5.1609 7.85877 8.89157 7.21333 numMergedOcc 0
39 mol 235 unq 0 iso 0 dist 8.1174 5.23741 8.08965 8.48065 4.75609 5.4638 numMergedOcc 0
40 mol 253 unq 0 iso 0 dist 8.71119 11.8779 9.19385 9.1566 5.85692 7.32223 numMergedOcc 0
41 mol 253 unq 1 iso 0 dist 8.71119 11.8779 9.19385 14.0212 6.0222 8.31064 numMergedOcc 0
42 mol 253 unq 2 iso 0 dist 8.71119 15.4152 9.1927 14.0212 6.0222 6.73034 numMergedOcc 0
43 mol 258 unq 0 iso 0 dist 9.60767 11.6193 5.4557 12.8506 4.02333 6.97229 numMergedOcc 0
44 mol 259 unq 0 iso 0 dist 6.69951 8.70769 8.25897 6.42725 5.97386 5.30224 numMergedOcc 0
45 mol 265 unq 0 iso 0 dist 5.8898 5.75478 5.7944 9.772 7.71667 8.4218 numMergedOcc 0
46 mol 277 unq 0 iso 0 dist 8.72101 6.76786 5.69112 14.3441 7.75371 9.7748 numMergedOcc 0
47 mol 277 unq 1 iso 0 dist 8.75619 6.76786 7.2091 14.3441 11.3546 9.7748 numMergedOcc 0
48 mol 277 unq 2 iso 0 dist 5.11998 10.8075 5.69112 9.29635 7.75371 9.7748 numMergedOcc 0
49 mol 277 unq 3 iso 0 dist 5.79925 10.8075 7.2091 9.29635 11.3546 9.7748 numMergedOcc 0
50 mol 277 unq 4 iso 0 dist 8.55906 12.9535 7.2091 17.1656 11.3546 9.7748 numMergedOcc 0
51 mol 277 unq 5 iso 0 dist 5.55523 11.2385 7.2091 16.5518 11.3546 9.7748 numMergedOcc 0
