0 mol 68 unq 0 iso 0 dist 9.25184 7.51631 16.2547 9.04231 17.69 5.57551 numMergedOcc 0
1 mol 68 unq 1 iso 0 dist 9.43167 7.51631 15.8674 9.04231 17.2135 5.57551 numMergedOcc 0
2 mol 68 unq 2 iso 0 dist 9.69923 4.9983 9.70187 5.16912 14.3535 8.18214 numMergedOcc 0
3 mol 70 unq 0 iso 0 dist 9.60641 9.87737 16.0618 6.11801 15.6308 9.79317 numMergedOcc 0
4 mol 70 unq 1 iso 0 dist 9.60641 6.7303 13.6348 6.11801 15.6308 7.69436 numMergedOcc 0
5 mol 70 unq 2 iso 0 dist 7.19617 9.87737 11.1525 6.11801 11.7704 9.79317 numMergedOcc 0
6 mol 70 unq 3 iso 0 dist 7.19617 6.7303 9.79464 6.11801 11.7704 7.69436 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 8.58504 4.96173 7.64986 5.27016 4.98783 7.29864 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 8.58504 4.96173 7.64986 8.99211 11.3389 6.04223 numMergedOcc 0
9 mol 92 unq 2 iso 0 dist 5.94598 4.55309 7.64986 6.39099 4.98783 7.29864 numMergedOcc 0
10 mol 92 unq 3 iso 0 dist 5.94598 4.55309 7.64986 6.13489 11.3389 6.04223 numMergedOcc 0
11 mol 116 unq 0 iso 0 dist 7.35799 9.86241 5.28688 12.2901 12.3372 8.50194 numMergedOcc 0
12 mol 116 unq 1 iso 0 dist 7.35799 9.86241 5.28688 5.08735 8.51507 8.24233 numMergedOcc 0
13 mol 120 unq 0 iso 0 dist 6.74094 4.7751 4.36262 9.2673 9.90594 8.83822 numMergedOcc 0
14 mol 128 unq 0 iso 0 dist 7.44771 4.26814 5.13616 3.56535 9.74232 5.38983 numMergedOcc 0
15 mol 128 unq 1 iso 0 dist 7.44771 4.26814 5.13616 9.33619 12.5153 8.46801 numMergedOcc 0
16 mol 128 unq 2 iso 0 dist 9.74069 7.66528 5.13616 10.7105 9.74232 5.38983 numMergedOcc 0
17 mol 128 unq 3 iso 0 dist 9.74069 7.66528 5.13616 4.9915 12.5153 8.46801 numMergedOcc 0
18 mol 128 unq 4 iso 0 dist 9.27789 9.40919 5.13616 11.6561 9.74232 5.38983 numMergedOcc 0
19 mol 128 unq 5 iso 0 dist 9.27789 9.40919 5.13616 10.642 12.5153 8.46801 numMergedOcc 0
20 mol 128 unq 6 iso 0 dist 9.92895 9.40919 11.7156 11.6561 16.642 5.38983 numMergedOcc 0
21 mol 128 unq 7 iso 0 dist 9.92895 9.40919 11.7156 10.642 15.6838 8.46801 numMergedOcc 0
22 mol 180 unq 0 iso 0 dist 9.85529 5.70326 8.6624 4.10999 9.26812 6.91244 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 9.77482 9.2814 3.49733 11.5663 11.6895 8.25174 numMergedOcc 0
24 mol 205 unq 1 iso 0 dist 9.77482 9.2814 3.49733 10.3557 11.8584 9.16671 numMergedOcc 0
25 mol 239 unq 0 iso 0 dist 9.20248 9.0495 9.04752 12.0443 10.9473 5.17335 numMergedOcc 0
26 mol 260 unq 0 iso 0 dist 8.69185 4.54064 5.76999 9.30964 6.23198 7.88108 numMergedOcc 0
27 mol 285 unq 0 iso 0 dist 9.20713 8.95073 3.46565 7.72208 7.98588 8.19757 numMergedOcc 0
28 mol 292 unq 0 iso 0 dist 8.00749 5.80835 3.77627 4.7967 9.2899 8.85506 numMergedOcc 0
