0 mol 2 unq 0 iso 0 dist 5.42021 5.5745 5.67638 9.39095 8.35692 6.81721 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 9.15006 5.5745 9.47807 9.39095 10.6458 6.81721 numMergedOcc 0
2 mol 10 unq 0 iso 0 dist 9.56259 9.07663 6.07332 8.44792 14.4547 9.90599 numMergedOcc 0
3 mol 10 unq 1 iso 0 dist 9.56259 9.07663 6.07332 4.94198 7.66496 6.28462 numMergedOcc 0
4 mol 10 unq 2 iso 0 dist 9.56259 9.07663 6.07332 9.62353 8.50202 12.3985 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 8.6112 6.88695 4.09495 7.89667 7.07479 8.39015 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 4.67917 8.05508 5.29688 9.34271 5.96516 10.1462 numMergedOcc 0
7 mol 59 unq 1 iso 0 dist 4.67917 9.00229 11.0325 9.34271 5.96516 15.0017 numMergedOcc 0
8 mol 59 unq 2 iso 0 dist 5.81747 9.59244 10.6918 4.90216 4.82623 11.6713 numMergedOcc 0
9 mol 59 unq 3 iso 0 dist 5.81747 9.59244 10.6918 9.84217 8.76577 3.88148 numMergedOcc 0
10 mol 59 unq 4 iso 0 dist 5.81747 8.05508 12.0007 9.34271 7.53537 10.1462 numMergedOcc 0
11 mol 59 unq 5 iso 0 dist 5.81747 9.00229 10.9658 9.34271 7.53537 15.0017 numMergedOcc 0
12 mol 59 unq 6 iso 0 dist 6.81975 9.59244 7.5168 4.90216 6.24283 11.6713 numMergedOcc 0
13 mol 59 unq 7 iso 0 dist 6.81975 9.59244 7.5168 9.84217 5.00893 3.88148 numMergedOcc 0
14 mol 81 unq 0 iso 0 dist 5.96486 9.08307 5.65355 9.53663 5.82911 9.42402 numMergedOcc 0
15 mol 92 unq 0 iso 0 dist 9.59503 8.4545 4.73713 7.29864 13.947 11.3522 numMergedOcc 0
16 mol 92 unq 1 iso 0 dist 9.59503 8.4545 4.73713 7.7399 14.5986 12.2908 numMergedOcc 0
17 mol 92 unq 2 iso 0 dist 9.59503 7.01176 4.36394 7.29864 13.947 10.0591 numMergedOcc 0
18 mol 92 unq 3 iso 0 dist 9.59503 7.01176 4.36394 7.7399 14.5986 13.6054 numMergedOcc 0
19 mol 92 unq 4 iso 0 dist 9.61119 8.4545 9.29076 7.29864 11.6652 11.3522 numMergedOcc 0
20 mol 92 unq 5 iso 0 dist 9.61119 8.4545 9.29076 7.7399 17.052 12.2908 numMergedOcc 0
21 mol 92 unq 6 iso 0 dist 9.61119 7.01176 4.39652 7.29864 11.6652 10.0591 numMergedOcc 0
22 mol 92 unq 7 iso 0 dist 9.61119 7.01176 4.39652 7.7399 17.052 13.6054 numMergedOcc 0
23 mol 112 unq 0 iso 0 dist 8.06034 5.17585 5.48442 9.60648 3.37479 5.53441 numMergedOcc 0
24 mol 113 unq 0 iso 0 dist 9.64281 8.89481 14.0364 9.86767 3.77247 13.0914 numMergedOcc 0
25 mol 120 unq 0 iso 0 dist 8.43293 7.04864 5.89379 8.03124 3.71884 3.35803 numMergedOcc 0
26 mol 123 unq 0 iso 0 dist 6.4879 8.67193 4.07494 8.40319 4.72258 7.16564 numMergedOcc 0
27 mol 133 unq 0 iso 0 dist 7.12336 9.50322 6.26797 8.52036 5.56456 10.3893 numMergedOcc 0
28 mol 133 unq 1 iso 0 dist 7.12336 5.82404 9.73435 8.52036 5.56456 11.323 numMergedOcc 0
29 mol 154 unq 0 iso 0 dist 7.10223 6.23399 5.5065 6.12278 11.9194 10.3287 numMergedOcc 0
30 mol 169 unq 0 iso 0 dist 8.44483 9.46833 14.0747 7.50458 3.69097 13.9883 numMergedOcc 0
31 mol 169 unq 1 iso 0 dist 8.44483 9.46833 14.0747 5.79554 7.14832 14.8937 numMergedOcc 0
32 mol 169 unq 2 iso 0 dist 8.44483 9.46833 14.0747 4.22003 8.01356 13.4235 numMergedOcc 0
33 mol 169 unq 3 iso 0 dist 9.79864 9.46833 11.1911 7.50458 11.5623 13.9883 numMergedOcc 0
34 mol 169 unq 4 iso 0 dist 9.79864 9.46833 11.1911 5.79554 12.6041 14.8937 numMergedOcc 0
35 mol 169 unq 5 iso 0 dist 9.79864 9.46833 11.1911 4.22003 10.4049 13.4235 numMergedOcc 0
36 mol 169 unq 6 iso 0 dist 9.73241 9.46833 9.31064 7.50458 16.721 13.9883 numMergedOcc 0
37 mol 169 unq 7 iso 0 dist 9.73241 9.46833 9.31064 5.79554 14.8989 14.8937 numMergedOcc 0
38 mol 169 unq 8 iso 0 dist 9.73241 9.46833 9.31064 4.22003 11.6433 13.4235 numMergedOcc 0
39 mol 171 unq 0 iso 0 dist 8.59783 6.07091 9.22906 7.06555 14.5273 10.0225 numMergedOcc 0
40 mol 183 unq 0 iso 0 dist 5.44125 5.83071 4.81807 8.00119 5.27311 3.81942 numMergedOcc 0
41 mol 183 unq 1 iso 0 dist 5.44125 5.83071 4.81807 5.50896 6.58331 4.62251 numMergedOcc 0
42 mol 183 unq 2 iso 0 dist 5.44125 7.07224 10.0008 8.00119 5.27311 8.21023 numMergedOcc 0
43 mol 183 unq 3 iso 0 dist 5.44125 7.07224 10.0008 5.50896 6.58331 4.68341 numMergedOcc 0
44 mol 183 unq 4 iso 0 dist 5.44125 9.82101 11.2316 8.00119 5.27311 10.4469 numMergedOcc 0
45 mol 183 unq 5 iso 0 dist 5.44125 9.82101 11.2316 5.50896 6.58331 9.83938 numMergedOcc 0
46 mol 183 unq 6 iso 0 dist 7.11505 5.83071 5.92045 8.00119 3.84394 3.81942 numMergedOcc 0
47 mol 183 unq 7 iso 0 dist 7.11505 5.83071 5.92045 5.50896 5.46887 4.62251 numMergedOcc 0
48 mol 183 unq 8 iso 0 dist 7.11505 7.07224 9.95614 8.00119 3.84394 8.21023 numMergedOcc 0
49 mol 183 unq 9 iso 0 dist 7.11505 7.07224 9.95614 5.50896 5.46887 4.68341 numMergedOcc 0
50 mol 183 unq 10 iso 0 dist 7.11505 9.82101 12.9864 8.00119 3.84394 10.4469 numMergedOcc 0
51 mol 183 unq 11 iso 0 dist 7.11505 9.82101 12.9864 5.50896 5.46887 9.83938 numMergedOcc 0
52 mol 183 unq 12 iso 0 dist 8.7143 5.83071 7.68618 8.00119 11.4328 3.81942 numMergedOcc 0
53 mol 183 unq 13 iso 0 dist 8.7143 5.83071 7.68618 5.50896 11.1045 4.62251 numMergedOcc 0
54 mol 183 unq 14 iso 0 dist 8.7143 7.07224 9.81623 8.00119 11.4328 8.21023 numMergedOcc 0
55 mol 183 unq 15 iso 0 dist 8.7143 7.07224 9.81623 5.50896 11.1045 4.68341 numMergedOcc 0
56 mol 183 unq 16 iso 0 dist 8.7143 9.82101 4.73001 8.00119 11.4328 10.4469 numMergedOcc 0
57 mol 183 unq 17 iso 0 dist 8.7143 9.82101 4.73001 5.50896 11.1045 9.83938 numMergedOcc 0
58 mol 185 unq 0 iso 0 dist 9.56016 9.878 8.20407 9.1549 8.58853 5.67139 numMergedOcc 0
59 mol 185 unq 1 iso 0 dist 7.92501 9.878 4.83776 9.1549 6.49781 5.67139 numMergedOcc 0
60 mol 196 unq 0 iso 0 dist 7.556 9.99314 4.59462 6.10505 7.96489 10.3492 numMergedOcc 0
61 mol 196 unq 1 iso 0 dist 7.556 6.25429 4.57882 8.3151 12.9475 12.1426 numMergedOcc 0
62 mol 196 unq 2 iso 0 dist 7.556 6.87731 6.70722 8.3151 12.9475 7.02978 numMergedOcc 0
63 mol 210 unq 0 iso 0 dist 9.718 8.62103 14.2438 9.49242 12.6983 9.97638 numMergedOcc 0
64 mol 210 unq 1 iso 0 dist 9.718 8.62103 14.2438 9.25184 12.162 4.29623 numMergedOcc 0
65 mol 210 unq 2 iso 0 dist 8.61629 8.62103 11.4281 9.49242 9.16249 9.97638 numMergedOcc 0
66 mol 210 unq 3 iso 0 dist 8.61629 8.62103 11.4281 9.25184 9.9492 4.29623 numMergedOcc 0
67 mol 232 unq 0 iso 0 dist 5.29561 9.56029 4.43222 9.4726 5.28999 5.00324 numMergedOcc 0
68 mol 235 unq 0 iso 0 dist 8.92054 8.48065 6.84447 8.1174 3.76405 4.75609 numMergedOcc 0
69 mol 244 unq 0 iso 0 dist 5.06669 7.65388 11.6777 5.16859 3.62882 9.54706 numMergedOcc 0
70 mol 244 unq 1 iso 0 dist 5.06669 7.65388 11.6777 4.79207 7.8506 4.06591 numMergedOcc 0
71 mol 244 unq 2 iso 0 dist 5.65248 7.65388 7.45211 5.16859 5.2503 9.54706 numMergedOcc 0
72 mol 244 unq 3 iso 0 dist 5.65248 7.65388 7.45211 4.79207 3.66626 4.06591 numMergedOcc 0
73 mol 259 unq 0 iso 0 dist 5.30455 6.42725 5.59901 6.69951 9.58753 5.97386 numMergedOcc 0
74 mol 259 unq 1 iso 0 dist 6.8184 6.42725 4.30432 6.69951 6.78897 5.97386 numMergedOcc 0
