0 mol 28 unq 0 iso 0 dist 8.70005 9.05939 6.20881 9.38747 11.4016 5.89728 numMergedOcc 0
1 mol 28 unq 0 iso 1 dist 8.70005 9.38747 11.4016 9.05939 6.20881 5.89728 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 9.17591 7.13608 6.97536 4.95327 6.4024 5.07181 numMergedOcc 0
3 mol 32 unq 0 iso 1 dist 9.17591 4.95327 6.4024 7.13608 6.97536 5.07181 numMergedOcc 0
4 mol 37 unq 0 iso 0 dist 5.98359 9.21102 4.23663 6.84257 8.49523 8.58626 numMergedOcc 0
5 mol 37 unq 0 iso 1 dist 5.98359 6.84257 8.49523 9.21102 4.23663 8.58626 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 6.10175 6.29755 12.1689 7.4038 11.8364 5.58256 numMergedOcc 0
7 mol 54 unq 0 iso 1 dist 6.10175 7.4038 11.8364 6.29755 12.1689 5.58256 numMergedOcc 0
8 mol 71 unq 0 iso 0 dist 4.76283 6.14513 5.01302 7.4392 4.64256 4.86089 numMergedOcc 0
9 mol 71 unq 0 iso 1 dist 4.76283 7.4392 4.64256 6.14513 5.01302 4.86089 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 7.02351 6.7939 5.4653 6.85356 4.63063 4.56026 numMergedOcc 0
11 mol 73 unq 0 iso 1 dist 7.02351 6.85356 4.63063 6.7939 5.4653 4.56026 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 7.53504 5.68894 7.92924 7.32265 8.30433 4.56026 numMergedOcc 0
13 mol 73 unq 1 iso 1 dist 7.53504 7.32265 8.30433 5.68894 7.92924 4.56026 numMergedOcc 0
14 mol 73 unq 2 iso 0 dist 8.66342 5.68894 5.4653 7.32265 4.63063 4.56026 numMergedOcc 0
15 mol 73 unq 2 iso 1 dist 8.66342 7.32265 4.63063 5.68894 5.4653 4.56026 numMergedOcc 0
16 mol 73 unq 3 iso 0 dist 7.21285 5.68894 7.09483 7.32265 4.68175 4.56026 numMergedOcc 0
17 mol 73 unq 3 iso 1 dist 7.21285 7.32265 4.68175 5.68894 7.09483 4.56026 numMergedOcc 0
18 mol 73 unq 4 iso 0 dist 6.95094 5.68894 11.341 7.32265 10.0459 4.56026 numMergedOcc 0
19 mol 73 unq 4 iso 1 dist 6.95094 7.32265 10.0459 5.68894 11.341 4.56026 numMergedOcc 0
20 mol 87 unq 0 iso 0 dist 8.33989 7.10886 5.80857 7.83828 10.5488 5.8502 numMergedOcc 0
21 mol 87 unq 0 iso 1 dist 8.33989 7.83828 10.5488 7.10886 5.80857 5.8502 numMergedOcc 0
22 mol 98 unq 0 iso 0 dist 8.87856 7.88143 6.62867 6.62952 11.2334 8.21408 numMergedOcc 0
23 mol 98 unq 0 iso 1 dist 8.87856 6.62952 11.2334 7.88143 6.62867 8.21408 numMergedOcc 0
24 mol 98 unq 1 iso 0 dist 6.2491 7.88143 12.7928 6.62952 7.89992 8.21408 numMergedOcc 0
25 mol 98 unq 1 iso 1 dist 6.2491 6.62952 7.89992 7.88143 12.7928 8.21408 numMergedOcc 0
26 mol 99 unq 0 iso 0 dist 8.23566 9.39801 12.5118 4.82346 4.74328 9.73996 numMergedOcc 0
27 mol 99 unq 0 iso 1 dist 8.23566 4.82346 4.74328 9.39801 12.5118 9.73996 numMergedOcc 0
28 mol 99 unq 1 iso 0 dist 8.23566 9.39801 12.5118 8.89165 6.55763 10.6378 numMergedOcc 0
29 mol 99 unq 1 iso 1 dist 8.23566 8.89165 6.55763 9.39801 12.5118 10.6378 numMergedOcc 0
30 mol 99 unq 1 iso 0 dist 8.23566 4.82346 4.74328 8.89165 6.55763 4.41001 numMergedOcc 0
31 mol 99 unq 1 iso 1 dist 8.23566 8.89165 6.55763 4.82346 4.74328 4.41001 numMergedOcc 0
32 mol 125 unq 0 iso 0 dist 8.15971 8.44933 5.16445 7.43803 5.32986 4.6635 numMergedOcc 0
33 mol 125 unq 0 iso 1 dist 8.15971 7.43803 5.32986 8.44933 5.16445 4.6635 numMergedOcc 0
34 mol 131 unq 0 iso 0 dist 7.8034 9.14809 9.45822 6.45169 10.1774 10.7259 numMergedOcc 0
35 mol 131 unq 0 iso 1 dist 7.8034 6.45169 10.1774 9.14809 9.45822 10.7259 numMergedOcc 0
36 mol 140 unq 0 iso 0 dist 9.74209 6.55217 4.8476 7.21686 8.53976 5.17212 numMergedOcc 0
37 mol 140 unq 0 iso 1 dist 9.74209 7.21686 8.53976 6.55217 4.8476 5.17212 numMergedOcc 0
38 mol 203 unq 0 iso 0 dist 8.8589 7.72215 9.33982 5.46529 4.9404 5.73409 numMergedOcc 0
39 mol 203 unq 0 iso 1 dist 8.8589 5.46529 4.9404 7.72215 9.33982 5.73409 numMergedOcc 0
40 mol 205 unq 0 iso 0 dist 9.90674 8.63185 4.98206 7.25362 8.94296 10.4442 numMergedOcc 0
41 mol 205 unq 0 iso 1 dist 9.90674 7.25362 8.94296 8.63185 4.98206 10.4442 numMergedOcc 0
42 mol 209 unq 0 iso 0 dist 8.65539 6.74526 6.04843 8.12326 10.2501 5.00665 numMergedOcc 0
43 mol 209 unq 0 iso 1 dist 8.65539 8.12326 10.2501 6.74526 6.04843 5.00665 numMergedOcc 0
44 mol 209 unq 1 iso 0 dist 7.757 8.20431 5.86856 8.8886 8.13817 8.77944 numMergedOcc 0
45 mol 209 unq 1 iso 1 dist 7.757 8.8886 8.13817 8.20431 5.86856 8.77944 numMergedOcc 0
46 mol 220 unq 0 iso 0 dist 9.56271 9.57625 13.0906 8.08702 4.56028 11.0459 numMergedOcc 0
47 mol 220 unq 0 iso 1 dist 9.56271 8.08702 4.56028 9.57625 13.0906 11.0459 numMergedOcc 0
48 mol 223 unq 0 iso 0 dist 9.86372 7.96628 4.73988 7.76053 8.36102 4.71901 numMergedOcc 0
49 mol 223 unq 0 iso 1 dist 9.86372 7.76053 8.36102 7.96628 4.73988 4.71901 numMergedOcc 0
50 mol 223 unq 1 iso 0 dist 7.70946 7.96628 4.78255 7.76053 5.43913 4.71901 numMergedOcc 0
51 mol 223 unq 1 iso 1 dist 7.70946 7.76053 5.43913 7.96628 4.78255 4.71901 numMergedOcc 0
52 mol 224 unq 0 iso 0 dist 9.06201 8.96263 9.9943 7.35677 7.83342 5.19836 numMergedOcc 0
53 mol 224 unq 0 iso 1 dist 9.06201 7.35677 7.83342 8.96263 9.9943 5.19836 numMergedOcc 0
54 mol 258 unq 0 iso 0 dist 6.59521 8.73425 5.27718 9.65711 9.46467 5.31174 numMergedOcc 0
55 mol 258 unq 0 iso 1 dist 6.59521 9.65711 9.46467 8.73425 5.27718 5.31174 numMergedOcc 0
56 mol 261 unq 0 iso 0 dist 8.64393 8.25759 7.45398 6.99444 7.70154 5.29945 numMergedOcc 0
57 mol 261 unq 0 iso 1 dist 8.64393 6.99444 7.70154 8.25759 7.45398 5.29945 numMergedOcc 0
58 mol 273 unq 0 iso 0 dist 9.36052 7.84151 10.402 7.85797 5.78379 12.9925 numMergedOcc 0
59 mol 273 unq 0 iso 1 dist 9.36052 7.85797 5.78379 7.84151 10.402 12.9925 numMergedOcc 0
60 mol 283 unq 0 iso 0 dist 6.15136 6.53354 6.84734 6.93798 4.67572 8.33312 numMergedOcc 0
61 mol 283 unq 0 iso 1 dist 6.15136 6.93798 4.67572 6.53354 6.84734 8.33312 numMergedOcc 0
