0 mol 18 unq 0 iso 0 dist 6.79099 13.4014 9.51761 7.67828 7.55766 12.4713 9.05986 5.65084 12.6536 4.8604 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 6.79099 5.27833 7.3094 7.67828 7.55766 6.48196 9.05986 5.65084 9.36767 4.8604 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.16827 7.23774 5.73819 7.56926 8.60739 5.64171 10.4149 6.75943 4.96926 4.55347 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 9.16827 12.092 6.20293 7.56926 8.60739 9.06158 10.4149 6.75943 5.41726 4.55347 numMergedOcc 0
4 mol 43 unq 2 iso 0 dist 9.16827 10.7423 8.93915 7.56926 8.60739 11.3891 10.4149 6.75943 10.0383 4.55347 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 5.09688 9.65979 6.45675 5.25231 9.00544 11.8512 10.9005 7.82475 5.43561 11.3766 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 5.09688 9.65979 6.45675 5.25231 9.00544 11.8512 9.06539 5.35782 6.30222 10.5056 numMergedOcc 0
7 mol 100 unq 2 iso 0 dist 5.09688 9.65979 6.45675 6.16378 7.12017 9.52882 10.9005 7.82475 5.43561 13.4027 numMergedOcc 0
8 mol 100 unq 3 iso 0 dist 5.09688 9.65979 6.45675 6.16378 7.12017 9.52882 9.06539 5.35782 6.30222 12.068 numMergedOcc 0
9 mol 100 unq 4 iso 0 dist 5.09688 12.2879 7.47343 5.25231 9.00544 14.9392 10.9005 7.82475 5.9143 11.3766 numMergedOcc 0
10 mol 100 unq 5 iso 0 dist 5.09688 12.2879 7.47343 5.25231 9.00544 14.9392 9.06539 5.35782 5.47563 10.5056 numMergedOcc 0
11 mol 100 unq 6 iso 0 dist 5.09688 12.2879 7.47343 6.16378 7.12017 12.6602 10.9005 7.82475 5.9143 13.4027 numMergedOcc 0
12 mol 100 unq 7 iso 0 dist 5.09688 12.2879 7.47343 6.16378 7.12017 12.6602 9.06539 5.35782 5.47563 12.068 numMergedOcc 0
13 mol 100 unq 8 iso 0 dist 5.09688 10.2364 8.86688 5.25231 9.00544 9.01214 10.9005 7.82475 5.25234 11.3766 numMergedOcc 0
14 mol 100 unq 9 iso 0 dist 5.09688 10.2364 8.86688 5.25231 9.00544 9.01214 9.06539 5.35782 5.03232 10.5056 numMergedOcc 0
15 mol 100 unq 10 iso 0 dist 5.09688 10.2364 8.86688 6.16378 7.12017 14.8674 10.9005 7.82475 5.25234 13.4027 numMergedOcc 0
16 mol 100 unq 11 iso 0 dist 5.09688 10.2364 8.86688 6.16378 7.12017 14.8674 9.06539 5.35782 5.03232 12.068 numMergedOcc 0
17 mol 100 unq 12 iso 0 dist 9.26343 13.666 6.45675 8.90536 9.00544 11.8512 16.0043 7.82475 5.43561 11.3766 numMergedOcc 0
18 mol 100 unq 13 iso 0 dist 9.26343 13.666 6.45675 8.90536 9.00544 11.8512 14.1132 5.35782 6.30222 10.5056 numMergedOcc 0
19 mol 100 unq 14 iso 0 dist 9.26343 13.666 6.45675 5.69359 7.12017 9.52882 16.0043 7.82475 5.43561 13.4027 numMergedOcc 0
20 mol 100 unq 15 iso 0 dist 9.26343 13.666 6.45675 5.69359 7.12017 9.52882 14.1132 5.35782 6.30222 12.068 numMergedOcc 0
21 mol 100 unq 16 iso 0 dist 9.26343 16.4386 7.47343 8.90536 9.00544 14.9392 16.0043 7.82475 5.9143 11.3766 numMergedOcc 0
22 mol 100 unq 17 iso 0 dist 9.26343 16.4386 7.47343 8.90536 9.00544 14.9392 14.1132 5.35782 5.47563 10.5056 numMergedOcc 0
23 mol 100 unq 18 iso 0 dist 9.26343 16.4386 7.47343 5.69359 7.12017 12.6602 16.0043 7.82475 5.9143 13.4027 numMergedOcc 0
24 mol 100 unq 19 iso 0 dist 9.26343 16.4386 7.47343 5.69359 7.12017 12.6602 14.1132 5.35782 5.47563 12.068 numMergedOcc 0
25 mol 100 unq 20 iso 0 dist 9.26343 15.5646 8.86688 8.90536 9.00544 9.01214 16.0043 7.82475 5.25234 11.3766 numMergedOcc 0
26 mol 100 unq 21 iso 0 dist 9.26343 15.5646 8.86688 8.90536 9.00544 9.01214 14.1132 5.35782 5.03232 10.5056 numMergedOcc 0
27 mol 100 unq 22 iso 0 dist 9.26343 15.5646 8.86688 5.69359 7.12017 14.8674 16.0043 7.82475 5.25234 13.4027 numMergedOcc 0
28 mol 100 unq 23 iso 0 dist 9.26343 15.5646 8.86688 5.69359 7.12017 14.8674 14.1132 5.35782 5.03232 12.068 numMergedOcc 0
29 mol 119 unq 0 iso 0 dist 8.59784 9.70986 8.73993 12.9632 8.56342 4.91132 13.4766 7.64052 9.68677 6.29394 numMergedOcc 0
30 mol 119 unq 1 iso 0 dist 8.59784 9.70986 8.73993 4.31572 6.37542 6.08167 13.4766 7.64052 9.68677 9.64502 numMergedOcc 0
31 mol 129 unq 0 iso 0 dist 8.14071 13.1328 5.83384 10.9764 8.03372 6.67948 5.22333 5.58833 9.00231 7.06894 numMergedOcc 0
32 mol 131 unq 0 iso 0 dist 6.38977 6.82985 8.40312 6.53994 8.86329 5.89022 4.67452 9.27976 3.98662 5.30999 numMergedOcc 0
33 mol 143 unq 0 iso 0 dist 8.72463 14.0766 5.99315 4.88215 8.41611 12.7056 7.21648 7.36975 13.1926 9.05786 numMergedOcc 0
34 mol 143 unq 1 iso 0 dist 8.72463 14.0766 5.99315 4.88215 8.41611 12.7056 9.42107 5.40637 7.39837 6.16103 numMergedOcc 0
35 mol 143 unq 2 iso 0 dist 8.72463 14.0766 5.99315 8.25783 7.63338 12.8872 7.21648 7.36975 13.1926 3.75378 numMergedOcc 0
36 mol 143 unq 3 iso 0 dist 8.72463 14.0766 5.99315 8.25783 7.63338 12.8872 9.42107 5.40637 7.39837 8.4697 numMergedOcc 0
37 mol 143 unq 4 iso 0 dist 8.72463 14.0766 5.99315 14.7431 9.03707 7.76364 7.21648 7.36975 13.1926 14.0356 numMergedOcc 0
38 mol 143 unq 5 iso 0 dist 8.72463 14.0766 5.99315 14.7431 9.03707 7.76364 9.42107 5.40637 7.39837 5.41614 numMergedOcc 0
39 mol 143 unq 6 iso 0 dist 8.72463 14.0766 5.99315 12.956 7.25673 9.23795 7.21648 7.36975 13.1926 9.30534 numMergedOcc 0
40 mol 143 unq 7 iso 0 dist 8.72463 14.0766 5.99315 12.956 7.25673 9.23795 9.42107 5.40637 7.39837 6.78032 numMergedOcc 0
41 mol 204 unq 0 iso 0 dist 7.92766 14.0488 7.10633 10.2224 6.85441 8.17229 6.6094 7.9133 10.7169 9.54203 numMergedOcc 0
42 mol 204 unq 1 iso 0 dist 7.92766 7.58285 8.51516 10.2224 6.85441 5.74707 6.6094 7.9133 5.57347 9.54203 numMergedOcc 0
43 mol 214 unq 0 iso 0 dist 6.83122 9.3424 9.65138 8.62938 6.38157 7.38025 12.8946 7.46481 11.4955 5.73082 numMergedOcc 0
44 mol 214 unq 1 iso 0 dist 6.83122 12.2622 7.14453 8.62938 6.38157 9.35273 12.8946 7.46481 8.459 5.73082 numMergedOcc 0
45 mol 214 unq 2 iso 0 dist 6.83122 6.75833 8.85478 8.62938 6.38157 5.63388 12.8946 7.46481 11.1534 5.73082 numMergedOcc 0
46 mol 238 unq 0 iso 0 dist 7.13194 9.05069 5.72887 9.87539 7.32982 12.3808 13.1414 9.72188 7.06793 13.0611 numMergedOcc 0
47 mol 238 unq 1 iso 0 dist 7.80166 6.77788 5.72887 10.4401 7.32982 12.3808 6.10342 9.72188 7.06793 13.0611 numMergedOcc 0
48 mol 238 unq 2 iso 0 dist 9.2521 12.8083 6.22714 6.12311 5.64181 10.216 12.95 9.08509 12.7938 6.94907 numMergedOcc 0
49 mol 238 unq 3 iso 0 dist 9.2521 10.1821 7.31233 6.12311 5.64181 7.83352 12.95 9.08509 11.0772 6.94907 numMergedOcc 0
50 mol 259 unq 0 iso 0 dist 9.47382 13.8605 7.46176 15.3317 8.55558 5.60748 11.8307 5.85442 10.067 7.32929 numMergedOcc 0
51 mol 259 unq 1 iso 0 dist 9.47382 13.8605 7.46176 15.3317 8.55558 5.60748 9.41512 6.95511 11.6988 9.55426 numMergedOcc 0
