0 mol 5 unq 0 iso 0 dist 8.72524 6.98121 8.87945 12.0333 6.98653 7.64769 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 8.72524 6.98121 8.87945 14.3446 10.4477 8.68577 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 8.72524 6.98121 8.87945 14.8032 9.22937 9.70883 numMergedOcc 0
3 mol 5 unq 3 iso 0 dist 8.25372 6.13695 7.74636 11.45 5.31713 7.64769 numMergedOcc 0
4 mol 5 unq 4 iso 0 dist 8.25372 6.13695 7.74636 12.7004 7.84244 8.31759 numMergedOcc 0
5 mol 10 unq 0 iso 0 dist 7.36963 9.27837 6.77807 14.1863 8.56896 8.7908 numMergedOcc 0
6 mol 20 unq 0 iso 0 dist 9.78431 7.58687 4.36087 11.539 3.21365 7.47395 numMergedOcc 0
7 mol 28 unq 0 iso 0 dist 6.62508 6.95803 9.2146 11.8984 16.4255 8.53424 numMergedOcc 0
8 mol 28 unq 1 iso 0 dist 6.62508 6.95803 9.2146 12.2067 16.0765 7.08766 numMergedOcc 0
9 mol 28 unq 2 iso 0 dist 6.62508 6.95803 9.2146 10.7835 13.6412 4.82199 numMergedOcc 0
10 mol 28 unq 3 iso 0 dist 9.77719 4.3475 9.2146 6.76158 16.4255 8.53424 numMergedOcc 0
11 mol 28 unq 4 iso 0 dist 9.77719 4.3475 9.2146 7.423 16.0765 7.08766 numMergedOcc 0
12 mol 28 unq 5 iso 0 dist 9.77719 4.3475 9.2146 5.89257 13.6412 4.82199 numMergedOcc 0
13 mol 46 unq 0 iso 0 dist 7.39124 6.16081 5.4713 9.77219 6.08836 3.77542 numMergedOcc 0
14 mol 46 unq 1 iso 0 dist 7.39124 6.16081 5.4713 14.487 14.1986 9.97314 numMergedOcc 0
15 mol 62 unq 0 iso 0 dist 5.48283 5.4275 7.16844 6.0827 3.73834 4.46067 numMergedOcc 0
16 mol 68 unq 0 iso 0 dist 8.76815 11.2448 8.19932 15.725 7.98805 7.7485 numMergedOcc 0
17 mol 76 unq 0 iso 0 dist 5.65006 5.5308 5.45099 5.61831 3.35924 7.66068 numMergedOcc 0
18 mol 76 unq 1 iso 0 dist 5.65006 10.5881 8.44765 5.61831 3.35924 9.5043 numMergedOcc 0
19 mol 76 unq 2 iso 0 dist 5.65006 9.74852 9.06643 5.61831 3.35924 8.34132 numMergedOcc 0
20 mol 90 unq 0 iso 0 dist 7.15918 4.3421 7.62463 7.30934 5.4118 5.24346 numMergedOcc 0
21 mol 107 unq 0 iso 0 dist 8.2411 10.9097 7.91251 4.99934 5.88785 8.88124 numMergedOcc 0
22 mol 107 unq 1 iso 0 dist 8.2411 4.34186 9.09262 4.99934 5.88785 8.19484 numMergedOcc 0
23 mol 113 unq 0 iso 0 dist 6.53198 5.23075 4.30875 10.0487 3.52445 7.02358 numMergedOcc 0
24 mol 168 unq 0 iso 0 dist 8.65328 4.18108 7.0961 9.57924 6.06538 5.86767 numMergedOcc 0
25 mol 168 unq 1 iso 0 dist 8.65328 4.18108 7.0961 8.47439 10.919 5.28353 numMergedOcc 0
26 mol 168 unq 2 iso 0 dist 5.69346 4.18108 6.53038 9.57924 10.7133 5.86767 numMergedOcc 0
27 mol 168 unq 3 iso 0 dist 5.69346 4.18108 6.53038 8.47439 6.65321 5.28353 numMergedOcc 0
28 mol 168 unq 4 iso 0 dist 8.55388 8.29185 6.53038 13.4052 10.7133 5.86767 numMergedOcc 0
29 mol 168 unq 5 iso 0 dist 8.55388 8.29185 6.53038 12.6546 6.65321 5.28353 numMergedOcc 0
30 mol 169 unq 0 iso 0 dist 6.4644 5.05368 4.11374 10.0553 3.59996 6.96715 numMergedOcc 0
31 mol 169 unq 1 iso 0 dist 5.87263 6.5732 7.65903 6.18165 3.18152 5.10589 numMergedOcc 0
32 mol 169 unq 2 iso 0 dist 5.87263 4.14139 5.97653 6.18165 3.18152 4.63336 numMergedOcc 0
33 mol 169 unq 3 iso 0 dist 5.87263 7.73206 7.75523 6.18165 3.18152 6.10715 numMergedOcc 0
34 mol 220 unq 0 iso 0 dist 9.46799 4.56852 6.31365 11.9017 3.52598 7.83056 numMergedOcc 0
35 mol 220 unq 1 iso 0 dist 6.05978 3.52029 6.31365 6.18239 3.52598 7.83056 numMergedOcc 0
36 mol 243 unq 0 iso 0 dist 7.42359 6.56644 9.53137 8.35328 7.66826 4.55853 numMergedOcc 0
37 mol 260 unq 0 iso 0 dist 6.54521 7.91474 7.49606 7.22473 7.35802 8.62655 numMergedOcc 0
38 mol 260 unq 1 iso 0 dist 7.97307 8.90225 8.51564 10.5948 8.22506 7.04263 numMergedOcc 0
39 mol 260 unq 2 iso 0 dist 7.97307 8.90225 8.51564 5.33278 3.68866 6.48099 numMergedOcc 0
40 mol 260 unq 3 iso 0 dist 8.52702 4.38276 9.73217 7.13397 15.6308 8.62655 numMergedOcc 0
41 mol 266 unq 0 iso 0 dist 6.61768 7.98379 7.72861 7.36685 3.14784 7.8598 numMergedOcc 0
42 mol 266 unq 1 iso 0 dist 6.61768 7.98379 7.72861 9.03099 5.95721 7.80711 numMergedOcc 0
43 mol 266 unq 2 iso 0 dist 6.61768 4.58167 8.20376 6.9943 3.68488 6.96692 numMergedOcc 0
44 mol 266 unq 3 iso 0 dist 6.61768 4.58167 8.20376 7.36685 3.14784 8.25286 numMergedOcc 0
45 mol 266 unq 4 iso 0 dist 6.61768 4.58167 8.20376 9.03099 5.95721 9.9965 numMergedOcc 0
46 mol 277 unq 0 iso 0 dist 8.20902 9.69757 5.13533 7.34927 10.5214 7.98956 numMergedOcc 0
47 mol 277 unq 1 iso 0 dist 7.98589 5.00704 5.13533 10.0835 10.5214 7.98956 numMergedOcc 0
48 mol 287 unq 0 iso 0 dist 7.37164 7.52677 6.22311 10.8476 5.96434 6.24487 numMergedOcc 0
49 mol 287 unq 1 iso 0 dist 9.51394 5.28038 4.93516 9.96328 3.66473 4.68668 numMergedOcc 0
50 mol 288 unq 0 iso 0 dist 7.37164 7.52677 6.22311 10.8476 5.96434 6.24487 numMergedOcc 0
51 mol 288 unq 1 iso 0 dist 9.51394 5.28038 4.93516 9.96328 3.66473 4.68668 numMergedOcc 0
52 mol 289 unq 0 iso 0 dist 7.37164 7.52677 6.22311 10.8476 5.96434 6.24487 numMergedOcc 0
53 mol 289 unq 1 iso 0 dist 9.51394 5.28038 4.93516 9.96328 3.66473 4.68668 numMergedOcc 0
