0 mol 7 unq 0 iso 0 dist 8.72114 9.67164 5.5683 10.515 9.97624 8.81608 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 6.42748 8.85174 5.20798 6.67334 6.50647 9.51568 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 9.01548 7.52933 15.1255 4.70708 6.63839 11.598 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 9.01548 6.55597 13.4321 4.70708 6.63839 11.1095 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 9.01548 9.71956 8.84447 4.70708 6.63839 11.6083 numMergedOcc 0
5 mol 25 unq 3 iso 0 dist 9.01548 7.07751 9.66912 4.70708 6.63839 10.1706 numMergedOcc 0
6 mol 25 unq 4 iso 0 dist 9.01548 8.23761 13.1117 4.70708 6.63839 11.6932 numMergedOcc 0
7 mol 25 unq 5 iso 0 dist 9.01548 9.49421 5.38592 4.70708 6.63839 8.53931 numMergedOcc 0
8 mol 25 unq 6 iso 0 dist 6.85556 7.99919 6.19011 5.09159 9.62401 12.6237 numMergedOcc 0
9 mol 32 unq 0 iso 0 dist 7.99969 7.26268 6.30042 6.68431 4.62858 8.74576 numMergedOcc 0
10 mol 56 unq 0 iso 0 dist 7.16773 9.03564 9.76482 6.28202 5.84875 13.0532 numMergedOcc 0
11 mol 62 unq 0 iso 0 dist 7.56205 9.69044 4.09232 11.7069 6.04903 9.1062 numMergedOcc 0
12 mol 62 unq 1 iso 0 dist 4.74544 6.9103 4.09232 5.49555 6.04903 9.1062 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 5.37007 7.13008 6.26082 9.97281 7.1539 10.8197 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 6.7117 5.10496 3.94967 8.70415 6.0129 6.61111 numMergedOcc 0
15 mol 98 unq 1 iso 0 dist 4.47349 7.54889 3.92737 10.0962 6.0129 4.44979 numMergedOcc 0
16 mol 98 unq 2 iso 0 dist 4.47349 5.2571 3.94967 10.0962 6.0129 6.61111 numMergedOcc 0
17 mol 98 unq 3 iso 0 dist 5.65185 7.78931 3.92737 11.2452 6.0129 4.44979 numMergedOcc 0
18 mol 98 unq 4 iso 0 dist 5.65185 8.7497 3.94967 11.2452 6.0129 6.61111 numMergedOcc 0
19 mol 134 unq 0 iso 0 dist 6.23142 9.33094 6.93712 5.3585 8.55616 7.43401 numMergedOcc 0
20 mol 134 unq 1 iso 0 dist 6.23142 9.33094 6.93712 5.41704 8.73604 11.7151 numMergedOcc 0
21 mol 134 unq 2 iso 0 dist 9.94764 9.1998 11.5269 6.74887 8.55616 6.44575 numMergedOcc 0
22 mol 134 unq 3 iso 0 dist 9.94764 9.1998 11.5269 6.17103 8.73604 14.0978 numMergedOcc 0
23 mol 134 unq 4 iso 0 dist 9.94764 8.69531 6.93712 6.74887 8.55616 7.43401 numMergedOcc 0
24 mol 134 unq 5 iso 0 dist 9.94764 8.69531 6.93712 6.17103 8.73604 11.7151 numMergedOcc 0
25 mol 143 unq 0 iso 0 dist 7.78652 7.36975 12.207 10.0989 6.97487 13.3985 numMergedOcc 0
26 mol 143 unq 1 iso 0 dist 7.78652 7.36975 12.207 6.01455 6.46089 7.05845 numMergedOcc 0
27 mol 143 unq 2 iso 0 dist 7.78652 5.40637 10.0079 10.0989 6.97487 14.6265 numMergedOcc 0
28 mol 143 unq 3 iso 0 dist 7.78652 5.40637 10.0079 6.01455 6.46089 10.55 numMergedOcc 0
29 mol 159 unq 0 iso 0 dist 9.17787 9.36259 7.91903 6.49376 6.72852 12.0832 numMergedOcc 0
30 mol 159 unq 1 iso 0 dist 8.4858 9.36259 9.65034 4.57561 5.9032 10.7736 numMergedOcc 0
31 mol 159 unq 2 iso 0 dist 8.4858 9.36259 9.65034 6.49376 8.52082 12.0832 numMergedOcc 0
32 mol 167 unq 0 iso 0 dist 9.67741 7.20495 5.43662 6.36909 7.80054 9.1326 numMergedOcc 0
33 mol 167 unq 1 iso 0 dist 9.67741 9.2289 8.91275 6.36909 7.80054 10.5288 numMergedOcc 0
34 mol 167 unq 2 iso 0 dist 9.67741 7.02548 5.95858 6.36909 7.80054 7.30954 numMergedOcc 0
35 mol 168 unq 0 iso 0 dist 7.44629 6.02086 4.02702 8.67522 7.60254 7.06851 numMergedOcc 0
36 mol 181 unq 0 iso 0 dist 6.2479 9.76212 6.39406 6.25083 9.06217 14.5897 numMergedOcc 0
37 mol 181 unq 1 iso 0 dist 6.2479 9.76212 6.39406 4.77278 7.13252 12.3788 numMergedOcc 0
38 mol 181 unq 2 iso 0 dist 6.22122 8.59874 6.39406 10.5753 9.06217 14.5897 numMergedOcc 0
39 mol 181 unq 3 iso 0 dist 6.22122 8.59874 6.39406 5.88819 7.13252 12.3788 numMergedOcc 0
40 mol 181 unq 4 iso 0 dist 5.94469 6.64173 4.98436 6.7991 7.05653 9.09234 numMergedOcc 0
41 mol 181 unq 5 iso 0 dist 5.94469 9.01624 11.9796 6.7991 7.05653 6.76746 numMergedOcc 0
42 mol 181 unq 6 iso 0 dist 5.94469 9.55105 12.3589 6.7991 7.05653 8.92098 numMergedOcc 0
43 mol 186 unq 0 iso 0 dist 7.76163 7.05695 3.78314 10.5203 9.84492 12.8056 numMergedOcc 0
44 mol 186 unq 1 iso 0 dist 8.73217 6.61112 4.03697 11.7299 9.84492 10.5584 numMergedOcc 0
45 mol 238 unq 0 iso 0 dist 9.24557 9.72188 17.1065 11.0401 8.90076 17.0286 numMergedOcc 0
46 mol 238 unq 1 iso 0 dist 9.24557 9.72188 17.1065 8.85181 6.87131 18.3572 numMergedOcc 0
47 mol 238 unq 2 iso 0 dist 9.24557 9.72188 17.1065 11.9142 8.09718 21.4884 numMergedOcc 0
48 mol 259 unq 0 iso 0 dist 7.98231 9.46361 4.10176 11.6195 8.71497 9.43105 numMergedOcc 0
49 mol 259 unq 1 iso 0 dist 7.08526 5.85442 4.47425 5.79468 8.71497 6.23661 numMergedOcc 0
50 mol 259 unq 2 iso 0 dist 7.08526 6.95511 4.10176 5.79468 8.71497 9.43105 numMergedOcc 0
51 mol 279 unq 0 iso 0 dist 7.23721 7.24366 4.05042 5.34838 9.24367 11.0415 numMergedOcc 0
52 mol 287 unq 0 iso 0 dist 9.65934 7.45616 5.97664 7.23534 5.59555 8.59762 numMergedOcc 0
53 mol 288 unq 0 iso 0 dist 9.65934 7.45616 5.97664 7.23534 5.59555 8.59762 numMergedOcc 0
54 mol 289 unq 0 iso 0 dist 9.65934 7.45616 5.97664 7.23534 5.59555 8.59762 numMergedOcc 0
55 mol 292 unq 0 iso 0 dist 9.88863 9.74118 3.92782 5.98906 5.7131 6.1905 numMergedOcc 0
