0 mol 24 unq 0 iso 0 dist 6.32779 9.74777 6.09311 5.43498 7.63824 12.7806 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 6.32779 7.63824 5.43498 6.09311 9.74777 12.7806 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.38139 6.77802 5.7037 3.42062 9.07283 9.05737 numMergedOcc 0
3 mol 48 unq 0 iso 1 dist 8.38139 9.07283 3.42062 5.7037 6.77802 9.05737 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 8.19721 7.49792 4.29679 3.70802 6.51901 4.46067 numMergedOcc 0
5 mol 62 unq 0 iso 1 dist 8.19721 6.51901 3.70802 4.29679 7.49792 4.46067 numMergedOcc 0
6 mol 62 unq 1 iso 0 dist 6.84323 6.58981 4.29679 3.66673 6.51901 4.46067 numMergedOcc 0
7 mol 62 unq 1 iso 1 dist 6.84323 6.51901 3.66673 4.29679 6.58981 4.46067 numMergedOcc 0
8 mol 62 unq 2 iso 0 dist 7.24768 6.58981 8.07308 3.66673 9.1926 4.46067 numMergedOcc 0
9 mol 62 unq 2 iso 1 dist 7.24768 9.1926 3.66673 8.07308 6.58981 4.46067 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 7.52742 8.15861 7.14242 3.81285 6.56288 6.67137 numMergedOcc 0
11 mol 85 unq 0 iso 1 dist 7.52742 6.56288 3.81285 7.14242 8.15861 6.67137 numMergedOcc 0
12 mol 85 unq 1 iso 0 dist 7.52742 8.15861 7.14242 6.17121 5.97559 7.04244 numMergedOcc 0
13 mol 85 unq 1 iso 1 dist 7.52742 5.97559 6.17121 7.14242 8.15861 7.04244 numMergedOcc 0
14 mol 85 unq 2 iso 0 dist 7.52742 9.27814 15.6495 3.81285 6.56288 12.9252 numMergedOcc 0
15 mol 85 unq 2 iso 1 dist 7.52742 6.56288 3.81285 15.6495 9.27814 12.9252 numMergedOcc 0
16 mol 85 unq 3 iso 0 dist 7.52742 9.27814 15.6495 6.17121 5.97559 15.2807 numMergedOcc 0
17 mol 85 unq 3 iso 1 dist 7.52742 5.97559 6.17121 15.6495 9.27814 15.2807 numMergedOcc 0
18 mol 93 unq 0 iso 0 dist 5.27541 5.96189 3.99275 13.113 8.61597 11.5475 numMergedOcc 0
19 mol 93 unq 0 iso 1 dist 5.27541 8.61597 13.113 3.99275 5.96189 11.5475 numMergedOcc 0
20 mol 93 unq 1 iso 0 dist 9.00874 8.23294 8.70619 3.27874 8.92653 5.20429 numMergedOcc 0
21 mol 93 unq 1 iso 1 dist 9.00874 8.92653 3.27874 8.70619 8.23294 5.20429 numMergedOcc 0
22 mol 93 unq 2 iso 0 dist 9.00874 8.2702 3.89959 3.27874 8.92653 8.71366 numMergedOcc 0
23 mol 93 unq 2 iso 1 dist 9.00874 8.92653 3.27874 3.89959 8.2702 8.71366 numMergedOcc 0
24 mol 96 unq 0 iso 0 dist 6.89038 8.95766 4.81353 8.13173 9.49229 13.7622 numMergedOcc 0
25 mol 96 unq 0 iso 1 dist 6.89038 9.49229 8.13173 4.81353 8.95766 13.7622 numMergedOcc 0
26 mol 96 unq 1 iso 0 dist 6.89038 8.6548 6.0108 8.13173 9.49229 11.489 numMergedOcc 0
27 mol 96 unq 1 iso 1 dist 6.89038 9.49229 8.13173 6.0108 8.6548 11.489 numMergedOcc 0
28 mol 111 unq 0 iso 0 dist 5.68841 8.51084 3.83194 7.42165 6.33923 4.91212 numMergedOcc 0
29 mol 111 unq 0 iso 1 dist 5.68841 6.33923 7.42165 3.83194 8.51084 4.91212 numMergedOcc 0
30 mol 111 unq 1 iso 0 dist 5.68841 8.51084 3.83194 7.93667 9.9801 9.74162 numMergedOcc 0
31 mol 111 unq 1 iso 1 dist 5.68841 9.9801 7.93667 3.83194 8.51084 9.74162 numMergedOcc 0
32 mol 111 unq 2 iso 0 dist 5.68841 5.53271 5.56913 7.42165 6.33923 9.34782 numMergedOcc 0
33 mol 111 unq 2 iso 1 dist 5.68841 6.33923 7.42165 5.56913 5.53271 9.34782 numMergedOcc 0
34 mol 111 unq 3 iso 0 dist 5.68841 5.53271 5.56913 7.93667 9.9801 12.5922 numMergedOcc 0
35 mol 111 unq 3 iso 1 dist 5.68841 9.9801 7.93667 5.56913 5.53271 12.5922 numMergedOcc 0
36 mol 124 unq 0 iso 0 dist 7.24083 9.01881 11.7364 6.49874 8.06631 10.1188 numMergedOcc 0
37 mol 124 unq 0 iso 1 dist 7.24083 8.06631 6.49874 11.7364 9.01881 10.1188 numMergedOcc 0
38 mol 281 unq 0 iso 0 dist 9.18565 7.43535 16.2801 3.86368 9.05453 7.90368 numMergedOcc 0
39 mol 281 unq 0 iso 1 dist 9.18565 9.05453 3.86368 16.2801 7.43535 7.90368 numMergedOcc 0
40 mol 287 unq 0 iso 0 dist 5.06731 8.15636 6.00938 3.76412 6.05363 10.5724 numMergedOcc 0
41 mol 287 unq 0 iso 1 dist 5.06731 6.05363 3.76412 6.00938 8.15636 10.5724 numMergedOcc 0
42 mol 287 unq 1 iso 0 dist 5.06731 7.86292 4.88961 3.76412 6.05363 9.98932 numMergedOcc 0
43 mol 287 unq 1 iso 1 dist 5.06731 6.05363 3.76412 4.88961 7.86292 9.98932 numMergedOcc 0
44 mol 288 unq 0 iso 0 dist 5.06731 8.15636 6.00938 3.76412 6.05363 10.5724 numMergedOcc 0
45 mol 288 unq 0 iso 1 dist 5.06731 6.05363 3.76412 6.00938 8.15636 10.5724 numMergedOcc 0
46 mol 288 unq 1 iso 0 dist 5.06731 7.86292 4.88961 3.76412 6.05363 9.98932 numMergedOcc 0
47 mol 288 unq 1 iso 1 dist 5.06731 6.05363 3.76412 4.88961 7.86292 9.98932 numMergedOcc 0
48 mol 289 unq 0 iso 0 dist 5.06731 8.15636 6.00938 3.76412 6.05363 10.5724 numMergedOcc 0
49 mol 289 unq 0 iso 1 dist 5.06731 6.05363 3.76412 6.00938 8.15636 10.5724 numMergedOcc 0
50 mol 289 unq 1 iso 0 dist 5.06731 7.86292 4.88961 3.76412 6.05363 9.98932 numMergedOcc 0
51 mol 289 unq 1 iso 1 dist 5.06731 6.05363 3.76412 4.88961 7.86292 9.98932 numMergedOcc 0
