0 mol 0 unq 0 iso 0 dist 8.99617 11.2001 9.19007 14.0721 9.64573 7.65806 numMergedOcc 0
1 mol 1 unq 0 iso 0 dist 9.60596 12.4943 6.09918 17.3259 7.94662 9.00903 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 7.21619 8.75206 8.80762 11.0133 12.3097 8.41585 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 8.41365 13.4414 6.92532 19.8554 12.3486 7.20519 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 8.41365 13.4414 6.92532 13.1233 5.18512 4.54938 numMergedOcc 0
5 mol 19 unq 2 iso 0 dist 8.41365 13.4414 6.92532 15.2251 9.47529 6.864 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 8.41365 10.5285 6.36455 13.1233 5.18512 7.82074 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 5.78238 9.59761 6.60423 10.6042 6.00575 6.86014 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 5.78238 9.59761 6.60423 9.90845 5.97304 8.86116 numMergedOcc 0
9 mol 43 unq 0 iso 0 dist 9.33162 9.97169 8.44903 12.2944 5.48048 5.73819 numMergedOcc 0
10 mol 43 unq 1 iso 0 dist 9.41473 6.6796 9.93832 13.3486 9.06158 8.80331 numMergedOcc 0
11 mol 43 unq 2 iso 0 dist 9.41473 10.2523 8.60739 12.49 5.64171 5.73819 numMergedOcc 0
12 mol 43 unq 3 iso 0 dist 9.41473 10.2523 8.60739 13.3486 9.06158 6.20293 numMergedOcc 0
13 mol 43 unq 4 iso 0 dist 9.41473 10.2523 8.60739 17.9394 11.3891 8.93915 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 6.59232 6.71593 8.85586 14.6361 14.8866 8.70481 numMergedOcc 0
15 mol 92 unq 0 iso 0 dist 8.95491 11.9657 6.49956 14.7733 6.86728 9.33898 numMergedOcc 0
16 mol 92 unq 1 iso 0 dist 8.95491 11.9657 6.49956 19.5554 12.163 9.64443 numMergedOcc 0
17 mol 126 unq 0 iso 0 dist 8.8359 9.07346 9.46588 9.06961 5.5703 6.06638 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 7.5344 8.25445 8.86329 11.439 5.89022 8.40312 numMergedOcc 0
19 mol 131 unq 1 iso 0 dist 7.5344 11.8349 8.71039 11.439 5.89022 7.12972 numMergedOcc 0
20 mol 143 unq 0 iso 0 dist 9.07229 10.6381 8.41611 13.7165 12.7056 5.99315 numMergedOcc 0
21 mol 143 unq 1 iso 0 dist 8.98581 4.98373 7.63338 9.73212 12.8872 5.99315 numMergedOcc 0
22 mol 156 unq 0 iso 0 dist 8.99141 5.73002 9.43259 11.0902 6.44255 8.34702 numMergedOcc 0
23 mol 156 unq 1 iso 0 dist 5.85349 5.73002 6.2319 11.0902 5.82636 8.34702 numMergedOcc 0
24 mol 156 unq 2 iso 0 dist 5.85349 11.2941 9.97732 11.0902 5.82636 9.06726 numMergedOcc 0
25 mol 156 unq 3 iso 0 dist 8.86912 7.46358 5.38091 14.041 10.7023 8.34702 numMergedOcc 0
26 mol 156 unq 4 iso 0 dist 8.86912 7.46358 5.38091 15.9053 9.00862 9.06726 numMergedOcc 0
27 mol 156 unq 5 iso 0 dist 8.86912 7.46358 5.38091 15.6718 11.1271 8.33171 numMergedOcc 0
28 mol 156 unq 6 iso 0 dist 8.60938 16.8259 9.43259 10.8757 6.44255 8.34702 numMergedOcc 0
29 mol 175 unq 0 iso 0 dist 5.32236 5.96451 8.0154 9.00898 4.24624 9.29945 numMergedOcc 0
30 mol 186 unq 0 iso 0 dist 9.51006 10.568 7.20574 16.7935 8.90184 7.54065 numMergedOcc 0
31 mol 186 unq 1 iso 0 dist 9.51006 11.1286 6.85302 16.7935 8.90184 8.87694 numMergedOcc 0
32 mol 186 unq 2 iso 0 dist 9.51006 11.1286 6.85302 13.2605 4.37002 9.09754 numMergedOcc 0
33 mol 186 unq 3 iso 0 dist 9.05979 8.86145 8.64409 12.6312 9.97575 9.09754 numMergedOcc 0
34 mol 186 unq 4 iso 0 dist 9.39664 5.43796 9.98215 12.4816 12.8303 8.87694 numMergedOcc 0
35 mol 186 unq 5 iso 0 dist 9.39664 5.43796 9.98215 10.9329 4.64235 9.09754 numMergedOcc 0
36 mol 188 unq 0 iso 0 dist 5.77968 5.5682 8.47347 6.02561 4.46081 9.96154 numMergedOcc 0
37 mol 220 unq 0 iso 0 dist 6.50846 4.90657 5.45036 9.8711 6.17628 9.23153 numMergedOcc 0
38 mol 220 unq 1 iso 0 dist 6.50846 4.90657 5.45036 12.6756 10.4136 8.24498 numMergedOcc 0
39 mol 223 unq 0 iso 0 dist 6.82737 4.67731 6.13306 12.0111 6.52273 8.77153 numMergedOcc 0
40 mol 223 unq 1 iso 0 dist 6.82737 4.67731 6.13306 10.6785 7.12885 8.6166 numMergedOcc 0
41 mol 223 unq 2 iso 0 dist 6.80967 7.19485 6.13306 9.5211 6.52273 8.77153 numMergedOcc 0
42 mol 223 unq 3 iso 0 dist 6.80967 7.19485 6.13306 13.3416 7.12885 8.6166 numMergedOcc 0
43 mol 227 unq 0 iso 0 dist 5.05201 9.08827 8.38865 13.9401 11.0628 7.22101 numMergedOcc 0
44 mol 227 unq 1 iso 0 dist 5.05201 9.08827 8.38865 15.5036 12.9587 7.09863 numMergedOcc 0
45 mol 227 unq 2 iso 0 dist 5.05201 5.70988 5.4694 13.9401 11.0628 8.65997 numMergedOcc 0
46 mol 227 unq 3 iso 0 dist 8.84358 5.24186 5.87815 12.2802 10.6244 7.55216 numMergedOcc 0
47 mol 230 unq 0 iso 0 dist 8.02209 6.87235 6.41286 11.1105 6.20661 6.7547 numMergedOcc 0
48 mol 232 unq 0 iso 0 dist 6.29118 4.90814 7.83711 11.2186 8.25884 8.27212 numMergedOcc 0
49 mol 234 unq 0 iso 0 dist 4.7359 4.74041 8.24186 10.6962 11.7705 8.34494 numMergedOcc 0
50 mol 234 unq 1 iso 0 dist 4.7359 4.74041 8.24186 5.89084 5.63086 6.56247 numMergedOcc 0
51 mol 234 unq 2 iso 0 dist 4.7359 4.74041 8.24186 8.47009 5.6819 9.36357 numMergedOcc 0
52 mol 234 unq 3 iso 0 dist 4.7359 6.16697 7.5366 5.89084 5.63086 9.45496 numMergedOcc 0
53 mol 234 unq 4 iso 0 dist 4.7359 6.16697 7.5366 8.47009 5.6819 6.7625 numMergedOcc 0
54 mol 248 unq 0 iso 0 dist 7.21518 6.42363 6.77954 7.66519 6.71566 9.56569 numMergedOcc 0
55 mol 248 unq 1 iso 0 dist 8.46518 4.53213 6.17052 8.71859 5.99459 7.69895 numMergedOcc 0
56 mol 248 unq 2 iso 0 dist 8.46518 6.33032 9.77666 8.71859 5.99459 7.21521 numMergedOcc 0
57 mol 252 unq 0 iso 0 dist 6.88874 5.26867 6.86945 9.73021 5.25252 7.19638 numMergedOcc 0
58 mol 261 unq 0 iso 0 dist 9.62681 11.0719 5.26434 10.5279 6.04016 9.14619 numMergedOcc 0
59 mol 261 unq 1 iso 0 dist 9.62681 15.7058 8.60026 10.5279 6.04016 8.45658 numMergedOcc 0
60 mol 272 unq 0 iso 0 dist 6.49719 11.8274 9.64269 11.3184 4.86504 9.97651 numMergedOcc 0
61 mol 272 unq 1 iso 0 dist 6.49719 11.2831 8.46061 14.5221 8.7909 8.33638 numMergedOcc 0
62 mol 272 unq 2 iso 0 dist 6.49719 11.2831 8.46061 11.3184 4.86504 8.46116 numMergedOcc 0
63 mol 272 unq 3 iso 0 dist 5.7564 11.082 9.64269 9.1118 4.86504 9.97651 numMergedOcc 0
64 mol 272 unq 4 iso 0 dist 5.7564 6.72149 8.46061 10.342 8.7909 8.33638 numMergedOcc 0
65 mol 272 unq 5 iso 0 dist 5.7564 6.72149 8.46061 9.1118 4.86504 8.46116 numMergedOcc 0
