0 mol 88 unq 0 iso 0 dist 9.44737 13.7888 7.80898 20.2968 12.1193 9.36773 17.2385 12.9048 6.95868 9.2603 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 9.43496 9.56471 7.06939 9.96037 4.3481 9.33898 6.68925 10.5758 10.9701 8.36431 numMergedOcc 0
2 mol 109 unq 0 iso 0 dist 9.46621 10.6893 8.52024 11.1103 5.00433 8.69985 10.627 9.74008 9.46098 5.87358 numMergedOcc 0
3 mol 109 unq 1 iso 0 dist 9.94704 11.5656 8.52024 8.3164 5.00433 8.69985 5.49138 9.74008 9.46098 5.87358 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 6.31773 5.28901 6.04595 5.02717 5.03039 7.30858 9.81097 13.0432 11.3902 8.66155 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 8.42219 5.24961 6.39384 12.5192 6.63111 9.33865 10.3316 8.0168 10.7942 7.76729 numMergedOcc 0
6 mol 115 unq 2 iso 0 dist 8.42219 5.24961 6.39384 10.8398 6.07067 6.11741 15.6773 12.9982 10.8292 6.99777 numMergedOcc 0
7 mol 115 unq 3 iso 0 dist 8.42219 5.24961 6.39384 10.8398 6.07067 6.11741 9.62969 10.7985 6.12943 9.14376 numMergedOcc 0
8 mol 115 unq 4 iso 0 dist 8.42219 11.8122 9.42082 12.5192 6.63111 5.83991 10.3316 8.0168 10.9739 7.76729 numMergedOcc 0
9 mol 115 unq 5 iso 0 dist 8.42219 11.8122 9.42082 10.8398 6.07067 7.88312 15.6773 12.9982 11.7126 6.99777 numMergedOcc 0
10 mol 115 unq 6 iso 0 dist 8.42219 11.8122 9.42082 10.8398 6.07067 7.88312 9.62969 10.7985 4.62962 9.14376 numMergedOcc 0
11 mol 127 unq 0 iso 0 dist 8.75894 4.70935 6.08673 9.8685 12.8087 9.30299 16.4612 17.7403 14.085 8.59981 numMergedOcc 0
12 mol 127 unq 1 iso 0 dist 8.75894 4.70935 6.08673 9.8685 12.8087 9.30299 11.2624 17.9198 13.1312 7.34519 numMergedOcc 0
13 mol 130 unq 0 iso 0 dist 5.82945 3.96103 6.93139 5.49877 4.97996 8.70949 6.53156 10.1252 8.84655 6.89257 numMergedOcc 0
14 mol 130 unq 1 iso 0 dist 5.82945 3.96103 6.93139 5.49877 4.97996 8.70949 4.72188 10.5067 6.76754 8.74308 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 8.78303 11.9294 9.33094 9.55556 7.41373 8.94367 10.2625 11.7151 5.41704 8.79571 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 8.78303 11.9294 9.33094 12.1043 10.8635 6.37586 10.2625 11.7151 5.41704 5.42582 numMergedOcc 0
17 mol 134 unq 2 iso 0 dist 8.78303 11.9294 9.33094 16.0579 12.3479 6.49416 10.2625 11.7151 5.41704 8.6355 numMergedOcc 0
18 mol 134 unq 3 iso 0 dist 8.78303 6.36794 8.69531 9.55556 7.41373 9.86662 10.2625 11.7151 6.17103 8.79571 numMergedOcc 0
19 mol 134 unq 4 iso 0 dist 8.78303 6.36794 8.69531 12.1043 10.8635 9.71307 10.2625 11.7151 6.17103 5.42582 numMergedOcc 0
20 mol 155 unq 0 iso 0 dist 7.25009 10.4606 8.97626 13.0657 9.16779 7.46303 12.8149 13.5963 6.3437 9.17284 numMergedOcc 0
21 mol 155 unq 1 iso 0 dist 7.25009 10.4606 8.97626 10.6076 4.91785 6.43582 8.63858 7.29911 12.8482 9.38946 numMergedOcc 0
22 mol 155 unq 2 iso 0 dist 7.25009 10.4606 8.97626 10.6076 4.91785 6.43582 4.40049 5.36254 8.27726 7.36102 numMergedOcc 0
23 mol 224 unq 0 iso 0 dist 6.32334 5.72088 8.79428 8.39002 7.05804 6.57273 7.90095 10.8888 7.12232 6.87664 numMergedOcc 0
24 mol 224 unq 1 iso 0 dist 6.32334 6.51315 6.8692 8.39002 7.05804 5.78342 7.90095 10.8888 5.3621 6.87664 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 4.95855 5.41945 5.85442 10.5892 10.067 7.46176 4.09442 6.23661 5.79468 7.48005 numMergedOcc 0
26 mol 259 unq 1 iso 0 dist 4.95855 5.59901 6.9899 9.12507 7.09907 5.30224 4.09442 6.23661 5.31048 8.37865 numMergedOcc 0
27 mol 259 unq 2 iso 0 dist 7.72489 12.1767 9.46361 10.5892 11.6988 7.88519 4.09442 9.43105 11.6195 7.48005 numMergedOcc 0
28 mol 259 unq 3 iso 0 dist 7.72489 5.41945 6.95511 10.5892 11.6988 7.46176 4.09442 9.43105 5.79468 7.48005 numMergedOcc 0
