0 mol 70 unq 0 iso 0 dist 9.49626 15.643 9.65964 16.9284 7.92394 6.65811 11.8044 5.22626 10.1773 8.33704 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 9.43143 10.5786 8.8178 12.1059 6.77912 12.0644 14.5784 5.36766 12.8385 8.624 numMergedOcc 0
2 mol 72 unq 1 iso 0 dist 9.43143 16.2349 9.96708 12.1059 6.77912 7.11552 14.5784 5.36766 10.8086 8.624 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 9.9795 9.53239 7.97049 5.84688 9.47876 7.98917 11.5591 6.9948 7.47541 7.22293 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 9.9795 13.0232 6.19965 5.84688 9.47876 11.6116 11.5591 6.9948 7.66905 7.22293 numMergedOcc 0
5 mol 109 unq 0 iso 0 dist 9.26438 5.68669 8.69985 10.7144 5.87358 9.46098 13.8343 4.98336 13.4572 9.20981 numMergedOcc 0
6 mol 109 unq 1 iso 0 dist 6.43255 6.80429 8.69985 9.77909 5.87358 9.46098 9.27088 4.98336 13.4572 9.20981 numMergedOcc 0
7 mol 109 unq 2 iso 0 dist 7.4389 12.3794 8.69985 8.77144 5.87358 9.46098 7.24527 4.98336 13.4572 9.20981 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 6.71345 6.49725 7.5732 11.3386 8.71128 5.80557 11.7295 5.59517 10.1027 7.52743 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 8.64107 4.82909 4.99221 10.0279 6.50039 5.60178 16.5917 10.4294 11.8322 6.87861 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 8.84656 10.879 6.37586 13.386 5.42582 5.41704 10.9216 5.49782 8.94367 8.79571 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 8.84656 10.879 6.37586 13.386 5.42582 5.41704 4.9155 5.00817 6.49416 8.6355 numMergedOcc 0
12 mol 134 unq 2 iso 0 dist 8.84656 16.7911 9.71307 13.386 5.42582 6.17103 10.9216 5.49782 9.86662 8.79571 numMergedOcc 0
13 mol 134 unq 3 iso 0 dist 8.84656 16.7911 9.71307 13.386 5.42582 6.17103 4.9155 5.00817 12.5075 8.6355 numMergedOcc 0
14 mol 134 unq 4 iso 0 dist 4.9155 9.30817 6.54501 13.386 8.6355 10.1448 10.9216 8.80819 11.9139 8.79571 numMergedOcc 0
15 mol 134 unq 5 iso 0 dist 4.9155 9.30817 6.54501 13.386 8.6355 10.1448 8.84656 5.00817 9.5126 5.42582 numMergedOcc 0
16 mol 134 unq 6 iso 0 dist 4.9155 10.879 6.49416 13.386 8.6355 5.41704 10.9216 8.80819 8.94367 8.79571 numMergedOcc 0
17 mol 134 unq 7 iso 0 dist 4.9155 10.879 6.49416 13.386 8.6355 5.41704 8.84656 5.00817 6.37586 5.42582 numMergedOcc 0
18 mol 134 unq 8 iso 0 dist 8.49987 6.47843 6.54501 15.6111 8.6355 10.1448 14.7559 8.80819 11.9139 8.79571 numMergedOcc 0
19 mol 134 unq 9 iso 0 dist 8.49987 6.47843 6.54501 15.6111 8.6355 10.1448 13.0189 5.00817 9.5126 5.42582 numMergedOcc 0
20 mol 134 unq 10 iso 0 dist 8.49987 10.9399 6.49416 15.6111 8.6355 5.41704 14.7559 8.80819 8.94367 8.79571 numMergedOcc 0
21 mol 134 unq 11 iso 0 dist 8.49987 10.9399 6.49416 15.6111 8.6355 5.41704 13.0189 5.00817 6.37586 5.42582 numMergedOcc 0
22 mol 134 unq 12 iso 0 dist 9.42271 6.16353 6.54501 11.8215 8.6355 10.1448 9.79337 8.80819 11.9139 8.79571 numMergedOcc 0
23 mol 134 unq 13 iso 0 dist 9.42271 6.16353 6.54501 11.8215 8.6355 10.1448 10.5814 5.00817 9.5126 5.42582 numMergedOcc 0
24 mol 134 unq 14 iso 0 dist 9.42271 7.07625 6.49416 11.8215 8.6355 5.41704 9.79337 8.80819 8.94367 8.79571 numMergedOcc 0
25 mol 134 unq 15 iso 0 dist 9.42271 7.07625 6.49416 11.8215 8.6355 5.41704 10.5814 5.00817 6.37586 5.42582 numMergedOcc 0
26 mol 142 unq 0 iso 0 dist 8.86346 16.7609 9.2313 9.01957 7.15475 9.49653 13.95 5.32922 5.31024 9.07935 numMergedOcc 0
27 mol 142 unq 1 iso 0 dist 8.86346 13.5268 7.73169 9.01957 7.15475 7.53854 13.95 5.32922 7.26382 9.07935 numMergedOcc 0
28 mol 142 unq 2 iso 0 dist 8.86346 12.1759 8.96657 9.01957 7.15475 10.3477 13.95 5.32922 11.0824 9.07935 numMergedOcc 0
29 mol 142 unq 3 iso 0 dist 4.93681 12.8283 9.2313 6.17441 7.15475 9.49653 9.86383 5.32922 5.31024 9.07935 numMergedOcc 0
30 mol 142 unq 4 iso 0 dist 4.93681 10.1677 7.73169 6.17441 7.15475 7.53854 9.86383 5.32922 7.26382 9.07935 numMergedOcc 0
31 mol 142 unq 5 iso 0 dist 4.93681 10.0866 8.96657 6.17441 7.15475 10.3477 9.86383 5.32922 11.0824 9.07935 numMergedOcc 0
32 mol 235 unq 0 iso 0 dist 7.8128 5.49043 5.4638 7.62542 9.58736 9.66021 14.0788 9.85037 11.9862 9.43058 numMergedOcc 0
33 mol 235 unq 1 iso 0 dist 7.8128 5.49043 5.4638 7.62542 9.58736 9.66021 15.6618 13.6669 15.2592 8.75735 numMergedOcc 0
34 mol 235 unq 2 iso 0 dist 7.8128 5.49043 5.4638 7.62542 9.58736 9.66021 12.4284 16.4493 15.3051 6.98084 numMergedOcc 0
35 mol 235 unq 3 iso 0 dist 7.8128 5.49043 5.4638 7.62542 9.58736 9.66021 12.9661 15.4 16.4776 7.32211 numMergedOcc 0
36 mol 236 unq 0 iso 0 dist 5.77925 6.59536 8.03456 11.3746 7.17676 11.8759 11.8216 7.28249 9.81562 5.34718 numMergedOcc 0
37 mol 236 unq 1 iso 0 dist 5.77925 8.93012 6.84306 11.3746 7.17676 11.3552 11.8216 7.28249 7.68742 5.34718 numMergedOcc 0
38 mol 236 unq 2 iso 0 dist 5.77925 12.1686 9.99038 11.3746 7.17676 6.04825 11.8216 7.28249 6.27581 5.34718 numMergedOcc 0
39 mol 236 unq 3 iso 0 dist 5.77925 5.48757 9.78037 11.3746 7.17676 12.6468 11.8216 7.28249 13.499 5.34718 numMergedOcc 0
40 mol 236 unq 4 iso 0 dist 5.77925 10.5925 8.35971 11.3746 7.17676 6.40312 11.8216 7.28249 11.2141 5.34718 numMergedOcc 0
