0 mol 25 unq 0 iso 0 dist 9.07927 12.3669 9.87281 6.44262 7.31767 6.17631 8.50987 4.51512 7.63928 6.03987 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.50987 12.3669 7.63928 6.44262 6.03987 6.17631 9.07927 4.51512 9.87281 7.31767 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 8.46313 3.88133 7.52103 9.46304 6.72123 6.16737 10.2837 6.86346 9.22002 6.65721 numMergedOcc 0
3 mol 61 unq 1 iso 0 dist 8.46313 12.1397 8.46556 9.46304 6.72123 4.90701 10.2837 6.86346 11.0419 6.65721 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 6.5136 11.2915 9.65047 11.085 8.03644 5.69671 19.738 16.6055 12.5791 9.03572 numMergedOcc 0
5 mol 95 unq 1 iso 0 dist 6.5136 11.2915 9.65047 11.085 8.03644 5.69671 18.2727 13.8105 13.9545 8.83255 numMergedOcc 0
6 mol 117 unq 0 iso 0 dist 8.98848 4.82309 6.90827 14.6144 7.90328 10.4485 21.8083 13.1058 18.7881 9.84395 numMergedOcc 0
7 mol 117 unq 1 iso 0 dist 8.98848 3.47603 8.90977 14.6144 7.90328 13.8755 21.8083 13.1058 20.7361 9.84395 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 6.1421 12.3343 9.28278 7.86921 8.54584 14.5776 9.55967 4.61027 12.3446 8.53613 numMergedOcc 0
9 mol 129 unq 1 iso 0 dist 9.54663 10.4416 9.28278 6.95124 8.54584 14.5776 11.8349 4.61027 12.3446 8.53613 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 6.44766 11.2112 7.81337 7.69184 6.85062 11.4498 14.5984 10.7062 15.7871 8.40312 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 6.44766 11.2112 7.81337 7.69184 6.85062 11.4498 12.0425 6.63273 10.4432 7.12972 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 7.85025 13.039 5.82404 13.8058 8.00618 5.37072 13.0581 8.18495 9.50322 7.11802 numMergedOcc 0
13 mol 155 unq 0 iso 0 dist 9.56095 10.1632 6.7973 6.64179 6.23493 5.01118 10.1181 5.71071 10.6879 7.46303 numMergedOcc 0
14 mol 229 unq 0 iso 0 dist 9.68636 12.8446 8.6537 5.6419 7.03423 10.7439 7.81415 6.84129 13.754 9.06952 numMergedOcc 0
15 mol 234 unq 0 iso 0 dist 7.17987 14.3029 7.86368 14.7629 9.45496 12.0816 8.58958 5.88703 12.3151 6.56247 numMergedOcc 0
16 mol 234 unq 1 iso 0 dist 7.17987 14.3029 7.86368 13.5847 6.7625 6.94762 8.58958 5.88703 12.3151 9.36357 numMergedOcc 0
17 mol 236 unq 0 iso 0 dist 6.0087 13.2917 8.90987 11.2678 8.03456 5.26654 12.1533 7.28249 11.2664 9.81562 numMergedOcc 0
18 mol 236 unq 1 iso 0 dist 6.0087 13.2917 8.90987 12.338 6.84306 3.82437 12.1533 7.28249 11.2664 7.68742 numMergedOcc 0
19 mol 236 unq 2 iso 0 dist 6.0087 13.2917 8.90987 12.431 9.99038 13.8124 12.1533 7.28249 11.2664 6.27581 numMergedOcc 0
20 mol 236 unq 3 iso 0 dist 6.0087 13.2917 8.90987 5.81354 8.35971 16.8883 6.67907 7.43758 15.2598 8.04248 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 9.89728 18.6806 9.54857 5.07898 7.46176 15.3806 11.1914 6.96053 14.0139 7.88519 numMergedOcc 0
22 mol 259 unq 1 iso 0 dist 9.89728 18.6806 9.54857 5.07898 7.46176 15.3806 8.70852 7.64658 16.6234 7.84554 numMergedOcc 0
23 mol 259 unq 2 iso 0 dist 9.89728 18.6806 9.54857 5.07898 7.46176 15.3806 6.42437 10.5239 20.0172 9.18903 numMergedOcc 0
