0 mol 0 unq 0 iso 0 dist 9.5614 5.25456 7.15528 13.7029 10.4498 9.23213 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.5614 5.25456 7.15528 10.4777 5.52201 8.81979 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 5.55156 7.1599 7.15528 14.4883 10.4498 9.23213 numMergedOcc 0
3 mol 0 unq 3 iso 0 dist 5.55156 7.1599 7.15528 9.45712 5.52201 8.81979 numMergedOcc 0
4 mol 7 unq 0 iso 0 dist 6.22805 6.96396 7.10621 13.6699 10.789 7.31201 numMergedOcc 0
5 mol 7 unq 1 iso 0 dist 6.22805 6.96396 7.10621 13.3157 10.515 9.36807 numMergedOcc 0
6 mol 9 unq 0 iso 0 dist 9.47321 5.91584 8.57077 11.7926 8.27962 6.85412 numMergedOcc 0
7 mol 9 unq 1 iso 0 dist 9.47321 5.91584 8.57077 12.1925 11.4878 6.33889 numMergedOcc 0
8 mol 16 unq 0 iso 0 dist 7.46752 5.66097 7.63133 9.47421 5.94084 5.47769 numMergedOcc 0
9 mol 16 unq 1 iso 0 dist 7.46752 6.06561 5.46498 9.47421 5.94084 6.58035 numMergedOcc 0
10 mol 16 unq 2 iso 0 dist 7.46752 6.06561 5.46498 12.3246 6.73355 8.41862 numMergedOcc 0
11 mol 16 unq 3 iso 0 dist 7.46752 8.02077 8.71745 12.3246 6.73355 8.16785 numMergedOcc 0
12 mol 19 unq 0 iso 0 dist 8.18518 14.1404 8.4674 12.7832 5.14627 6.20943 numMergedOcc 0
13 mol 19 unq 1 iso 0 dist 8.18518 6.57145 4.54938 10.4026 10.9543 8.78293 numMergedOcc 0
14 mol 19 unq 2 iso 0 dist 8.18518 6.57145 4.54938 5.36258 6.55187 8.23643 numMergedOcc 0
15 mol 19 unq 3 iso 0 dist 8.18518 6.57145 4.54938 12.7832 5.14627 7.82528 numMergedOcc 0
16 mol 19 unq 4 iso 0 dist 8.18518 6.01189 7.82074 5.36258 6.55187 8.73972 numMergedOcc 0
17 mol 59 unq 0 iso 0 dist 9.05547 6.34748 6.85766 10.5678 7.29033 6.71911 numMergedOcc 0
18 mol 75 unq 0 iso 0 dist 7.16583 6.77761 7.79912 7.14313 10.0425 5.15851 numMergedOcc 0
19 mol 75 unq 1 iso 0 dist 7.118 5.06305 7.79912 9.77241 10.0425 5.15851 numMergedOcc 0
20 mol 75 unq 2 iso 0 dist 8.24814 5.06305 8.56639 9.77241 11.8774 5.15851 numMergedOcc 0
21 mol 88 unq 0 iso 0 dist 7.76275 13.1838 9.36773 15.1128 8.4283 8.66514 numMergedOcc 0
22 mol 88 unq 1 iso 0 dist 7.76275 13.1838 9.36773 13.0642 5.37521 9.25235 numMergedOcc 0
23 mol 100 unq 0 iso 0 dist 9.57498 6.89762 6.45675 6.0026 7.2495 8.72704 numMergedOcc 0
24 mol 102 unq 0 iso 0 dist 9.0361 7.49575 7.36792 6.793 5.498 9.94856 numMergedOcc 0
25 mol 114 unq 0 iso 0 dist 9.24515 5.24877 7.5732 11.3006 5.80557 8.71128 numMergedOcc 0
26 mol 115 unq 0 iso 0 dist 7.44784 7.64822 7.30858 12.3154 11.3902 8.66155 numMergedOcc 0
27 mol 115 unq 1 iso 0 dist 9.56867 9.97256 6.11741 12.3154 4.61908 9.66954 numMergedOcc 0
28 mol 115 unq 2 iso 0 dist 9.56867 9.97256 6.11741 17.2085 10.8939 7.64585 numMergedOcc 0
29 mol 115 unq 3 iso 0 dist 9.56867 7.64822 7.88312 12.3154 4.61908 8.66155 numMergedOcc 0
30 mol 115 unq 4 iso 0 dist 6.09472 5.74878 4.99221 8.81198 5.60178 6.50039 numMergedOcc 0
31 mol 115 unq 5 iso 0 dist 8.93552 6.07331 4.99221 12.1661 5.60178 6.50039 numMergedOcc 0
32 mol 115 unq 6 iso 0 dist 6.20658 7.09627 4.99221 11.3523 5.60178 6.50039 numMergedOcc 0
33 mol 127 unq 0 iso 0 dist 6.65963 10.345 8.14887 18.5156 14.9761 8.59981 numMergedOcc 0
34 mol 127 unq 1 iso 0 dist 6.65963 10.345 8.14887 11.9686 7.41404 7.34519 numMergedOcc 0
35 mol 127 unq 2 iso 0 dist 7.73139 11.0785 9.30299 17.6467 14.085 8.59981 numMergedOcc 0
36 mol 127 unq 3 iso 0 dist 7.73139 11.0785 9.30299 16.0863 13.1312 7.34519 numMergedOcc 0
37 mol 127 unq 4 iso 0 dist 6.66607 8.89539 9.30299 10.9741 14.085 8.59981 numMergedOcc 0
38 mol 127 unq 5 iso 0 dist 6.66607 8.89539 9.30299 15.4483 13.1312 7.34519 numMergedOcc 0
39 mol 127 unq 6 iso 0 dist 8.62711 10.345 9.30299 18.5156 14.085 8.59981 numMergedOcc 0
40 mol 127 unq 7 iso 0 dist 8.62711 10.345 9.30299 11.9686 13.1312 7.34519 numMergedOcc 0
41 mol 155 unq 0 iso 0 dist 7.28355 4.8645 6.23493 11.7713 4.9093 9.17284 numMergedOcc 0
42 mol 167 unq 0 iso 0 dist 7.83781 6.43506 9.87651 11.0314 6.58937 8.62646 numMergedOcc 0
43 mol 175 unq 0 iso 0 dist 6.73365 5.73338 5.6234 15.0771 10.5631 9.8589 numMergedOcc 0
44 mol 175 unq 1 iso 0 dist 6.73365 12.753 9.92231 15.0771 10.5631 7.24908 numMergedOcc 0
45 mol 175 unq 2 iso 0 dist 9.45659 5.73338 6.57069 15.0771 7.5414 9.8589 numMergedOcc 0
46 mol 175 unq 3 iso 0 dist 6.6776 13.7028 9.0018 12.5642 11.0415 9.31887 numMergedOcc 0
47 mol 175 unq 4 iso 0 dist 6.6776 10.4662 5.6234 10.9045 5.28109 9.0664 numMergedOcc 0
48 mol 181 unq 0 iso 0 dist 9.07833 9.54619 9.09537 11.7541 6.14208 7.20046 numMergedOcc 0
49 mol 181 unq 1 iso 0 dist 9.07833 9.54619 9.09537 12.342 5.95965 7.13543 numMergedOcc 0
50 mol 181 unq 2 iso 0 dist 9.63295 12.5935 7.63312 18.3583 9.60512 7.98142 numMergedOcc 0
51 mol 181 unq 3 iso 0 dist 9.63295 12.5935 7.63312 19.9229 13.3389 7.37327 numMergedOcc 0
52 mol 182 unq 0 iso 0 dist 9.36307 9.72559 9.31746 12.0424 11.1088 6.73313 numMergedOcc 0
53 mol 214 unq 0 iso 0 dist 9.40003 16.922 8.85478 13.7287 6.67959 7.46831 numMergedOcc 0
54 mol 214 unq 1 iso 0 dist 8.68385 9.18071 8.85478 10.7631 6.67959 7.46831 numMergedOcc 0
55 mol 222 unq 0 iso 0 dist 7.27481 5.90074 7.54212 7.46845 7.61682 7.18956 numMergedOcc 0
56 mol 224 unq 0 iso 0 dist 4.79841 11.4653 8.95269 11.4157 7.98696 6.87664 numMergedOcc 0
57 mol 236 unq 0 iso 0 dist 6.73134 5.27568 8.35971 5.77356 6.40312 7.17676 numMergedOcc 0
58 mol 236 unq 1 iso 0 dist 6.73134 5.27568 8.35971 9.24309 6.2568 6.68463 numMergedOcc 0
59 mol 238 unq 0 iso 0 dist 7.98022 6.3873 5.72887 14.7533 13.069 9.29858 numMergedOcc 0
60 mol 239 unq 0 iso 0 dist 9.26156 7.10801 7.00034 12.5745 6.26168 7.39747 numMergedOcc 0
61 mol 239 unq 1 iso 0 dist 9.26156 7.10801 7.00034 10.2911 5.39146 8.1777 numMergedOcc 0
62 mol 248 unq 0 iso 0 dist 6.44967 9.48478 7.69895 9.83514 6.48757 6.07192 numMergedOcc 0
63 mol 259 unq 0 iso 0 dist 6.96379 12.7595 7.88519 15.1733 11.6195 7.48005 numMergedOcc 0
64 mol 261 unq 0 iso 0 dist 8.50313 13.3163 8.45658 13.5663 5.22253 7.47164 numMergedOcc 0
65 mol 261 unq 1 iso 0 dist 7.6414 13.6041 8.45658 12.6505 5.22253 7.47164 numMergedOcc 0
66 mol 277 unq 0 iso 0 dist 8.35794 5.77904 9.7748 11.7564 6.58374 9.41725 numMergedOcc 0
67 mol 282 unq 0 iso 0 dist 8.58671 8.13794 8.04483 15.6696 10.1236 8.8673 numMergedOcc 0
68 mol 282 unq 1 iso 0 dist 6.84554 9.67023 8.76532 13.2331 8.14825 8.8673 numMergedOcc 0
69 mol 282 unq 2 iso 0 dist 9.51581 9.67023 6.33524 13.2331 7.36881 8.8673 numMergedOcc 0
