0 mol 46 unq 0 iso 0 dist 9.14996 7.57749 5.91159 14.3993 9.30803 9.9787 numMergedOcc 0
1 mol 46 unq 1 iso 0 dist 9.47718 8.55202 5.91159 4.53545 9.30803 9.9787 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 9.53794 7.32064 16.4946 7.17843 14.6085 6.85523 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 9.53794 7.32064 16.4946 13.1649 20.616 8.65848 numMergedOcc 0
4 mol 78 unq 2 iso 0 dist 9.53794 5.85007 13.583 7.17843 14.6085 5.77326 numMergedOcc 0
5 mol 78 unq 3 iso 0 dist 9.84346 7.32064 13.8703 7.17843 9.23023 6.85523 numMergedOcc 0
6 mol 78 unq 4 iso 0 dist 9.84346 7.32064 13.8703 13.1649 13.6324 8.65848 numMergedOcc 0
7 mol 78 unq 5 iso 0 dist 9.84346 5.85007 11.9719 7.17843 9.23023 5.77326 numMergedOcc 0
8 mol 78 unq 6 iso 0 dist 9.46472 4.62314 13.8703 4.4651 9.23023 6.85523 numMergedOcc 0
9 mol 78 unq 7 iso 0 dist 9.46472 4.62314 13.8703 9.31889 13.6324 8.65848 numMergedOcc 0
10 mol 78 unq 8 iso 0 dist 9.46472 6.35234 11.9719 4.4651 9.23023 5.77326 numMergedOcc 0
11 mol 81 unq 0 iso 0 dist 5.96486 5.73799 3.71228 5.65355 9.08307 7.07095 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 8.36326 9.70292 10.1179 5.69671 12.7234 8.57395 numMergedOcc 0
13 mol 95 unq 1 iso 0 dist 8.36326 9.59704 11.97 5.69671 12.7234 9.85409 numMergedOcc 0
14 mol 112 unq 0 iso 0 dist 7.84249 4.77996 3.78964 4.34071 7.53905 5.56994 numMergedOcc 0
15 mol 113 unq 0 iso 0 dist 9.64281 6.12348 7.09333 14.0364 8.89481 8.80934 numMergedOcc 0
16 mol 127 unq 0 iso 0 dist 9.16999 8.75894 8.71432 4.70935 9.42513 6.08673 numMergedOcc 0
17 mol 129 unq 0 iso 0 dist 9.0455 8.09774 9.05571 5.56946 9.28278 5.51197 numMergedOcc 0
18 mol 139 unq 0 iso 0 dist 8.49892 7.02063 4.37138 5.30274 6.34417 5.80789 numMergedOcc 0
19 mol 154 unq 0 iso 0 dist 7.10223 5.06116 5.18463 5.5065 6.23399 8.33439 numMergedOcc 0
20 mol 155 unq 0 iso 0 dist 6.91762 7.25009 5.05961 10.4606 12.6683 8.97626 numMergedOcc 0
21 mol 168 unq 0 iso 0 dist 9.76722 7.30338 8.01699 12.1014 13.3351 6.02086 numMergedOcc 0
22 mol 225 unq 0 iso 0 dist 8.99496 7.25438 11.662 9.20928 16.0039 8.14831 numMergedOcc 0
23 mol 233 unq 0 iso 0 dist 7.74693 7.1229 10.7478 6.52848 14.1896 8.51625 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 7.82564 7.13727 3.68226 6.45589 11.6545 9.12776 numMergedOcc 0
25 mol 238 unq 1 iso 0 dist 7.82564 7.13727 3.68226 12.521 10.2894 9.72188 numMergedOcc 0
26 mol 238 unq 2 iso 0 dist 9.51177 8.56975 3.68226 9.23693 11.6545 9.12776 numMergedOcc 0
27 mol 238 unq 3 iso 0 dist 9.51177 8.56975 3.68226 9.18011 10.2894 9.72188 numMergedOcc 0
28 mol 238 unq 4 iso 0 dist 9.91136 7.13727 5.17124 6.45589 11.1363 9.12776 numMergedOcc 0
29 mol 238 unq 5 iso 0 dist 9.91136 7.13727 5.17124 12.521 14.3542 9.72188 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 5.30455 4.95855 6.09466 5.41945 9.73341 5.85442 numMergedOcc 0
31 mol 259 unq 1 iso 0 dist 5.30455 4.95855 6.09466 5.59901 6.42725 6.9899 numMergedOcc 0
32 mol 259 unq 2 iso 0 dist 5.30455 7.72489 7.9016 12.1767 15.673 9.46361 numMergedOcc 0
33 mol 259 unq 3 iso 0 dist 5.30455 7.72489 7.9016 5.41945 9.73341 6.95511 numMergedOcc 0
34 mol 259 unq 4 iso 0 dist 7.34794 4.95855 5.49348 5.41945 9.54857 5.85442 numMergedOcc 0
35 mol 259 unq 5 iso 0 dist 7.34794 4.95855 5.49348 5.59901 9.56653 6.9899 numMergedOcc 0
36 mol 259 unq 6 iso 0 dist 7.34794 7.72489 5.13138 12.1767 14.0139 9.46361 numMergedOcc 0
37 mol 259 unq 7 iso 0 dist 7.34794 7.72489 5.13138 5.41945 9.54857 6.95511 numMergedOcc 0
38 mol 285 unq 0 iso 0 dist 8.12306 5.09181 6.01574 4.16039 12.0919 7.80862 numMergedOcc 0
39 mol 292 unq 0 iso 0 dist 8.35169 5.72473 10.0594 8.04474 7.53641 7.20674 numMergedOcc 0
