0 mol 1 unq 0 iso 0 dist 7.21349 6.4181 6.25854 5.06184 10.8827 6.86701 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 9.36227 9.91301 8.5845 13.8883 17.0679 9.01112 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 9.4022 8.09199 7.19147 5.37642 11.7383 9.13322 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 9.28654 9.10981 6.6573 9.89481 13.3449 8.65848 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 9.28654 9.10981 6.6573 3.89733 10.101 7.25801 numMergedOcc 0
5 mol 78 unq 2 iso 0 dist 9.84346 9.23023 7.17843 13.8703 7.32064 6.85523 numMergedOcc 0
6 mol 78 unq 3 iso 0 dist 9.84346 9.23023 7.17843 11.9719 5.85007 5.77326 numMergedOcc 0
7 mol 78 unq 4 iso 0 dist 9.46472 9.23023 4.4651 13.8703 4.62314 6.85523 numMergedOcc 0
8 mol 78 unq 5 iso 0 dist 9.46472 9.23023 4.4651 11.9719 6.35234 5.77326 numMergedOcc 0
9 mol 81 unq 0 iso 0 dist 5.96486 9.08307 5.65355 3.71228 5.73799 7.07095 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 8.36326 9.65047 16.7208 8.55456 15.1183 9.3948 numMergedOcc 0
11 mol 95 unq 1 iso 0 dist 8.36326 9.65047 16.7208 3.84879 11.6833 9.74607 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 8.06034 5.17585 5.48442 3.82552 9.26141 4.22363 numMergedOcc 0
13 mol 112 unq 1 iso 0 dist 7.84249 7.53905 4.34071 3.61827 9.80187 9.05166 numMergedOcc 0
14 mol 112 unq 2 iso 0 dist 7.84249 7.53905 4.34071 3.78964 4.77996 5.56994 numMergedOcc 0
15 mol 113 unq 0 iso 0 dist 9.64281 8.89481 14.0364 7.09333 6.12348 8.80934 numMergedOcc 0
16 mol 127 unq 0 iso 0 dist 9.16999 9.42513 4.70935 8.71432 8.75894 6.08673 numMergedOcc 0
17 mol 129 unq 0 iso 0 dist 9.0455 9.28278 5.56946 9.05571 8.09774 5.51197 numMergedOcc 0
18 mol 129 unq 1 iso 0 dist 9.0455 9.28278 5.56946 9.63308 11.4776 6.69691 numMergedOcc 0
19 mol 129 unq 2 iso 0 dist 9.0455 9.28278 5.56946 14.5546 14.427 8.86944 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 7.12336 5.82404 9.73435 11.5628 13.1452 8.77023 numMergedOcc 0
21 mol 139 unq 0 iso 0 dist 8.49892 6.34417 5.30274 4.37138 7.02063 5.80789 numMergedOcc 0
22 mol 154 unq 0 iso 0 dist 7.10223 6.23399 5.5065 5.18463 5.06116 8.33439 numMergedOcc 0
23 mol 180 unq 0 iso 0 dist 8.39718 7.1027 4.28574 3.81673 11.3897 8.82325 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 5.75545 9.58911 8.58814 17.3349 15.3528 8.59874 numMergedOcc 0
25 mol 218 unq 0 iso 0 dist 8.61427 7.0843 6.32514 3.5359 10.3502 8.75536 numMergedOcc 0
26 mol 218 unq 1 iso 0 dist 8.61427 7.73315 9.20709 3.5359 10.3502 7.33709 numMergedOcc 0
27 mol 218 unq 2 iso 0 dist 8.61427 6.9398 5.53181 3.5359 10.3502 6.67404 numMergedOcc 0
28 mol 257 unq 0 iso 0 dist 8.23739 7.82899 5.8531 14.9352 14.2499 8.83833 numMergedOcc 0
29 mol 259 unq 0 iso 0 dist 9.05363 8.06771 10.4985 9.0675 16.793 9.46361 numMergedOcc 0
30 mol 259 unq 1 iso 0 dist 9.05363 5.90645 6.64729 9.54522 13.9131 9.07743 numMergedOcc 0
31 mol 259 unq 2 iso 0 dist 5.30455 6.42725 5.59901 11.761 10.7775 8.03219 numMergedOcc 0
32 mol 259 unq 3 iso 0 dist 5.30455 6.42725 5.59901 6.09466 4.95855 6.9899 numMergedOcc 0
33 mol 259 unq 4 iso 0 dist 7.34794 9.54857 5.41945 5.49348 4.95855 5.85442 numMergedOcc 0
34 mol 259 unq 5 iso 0 dist 7.34794 9.54857 5.41945 5.13138 7.72489 6.95511 numMergedOcc 0
35 mol 259 unq 6 iso 0 dist 6.8184 6.42725 4.30432 11.761 12.1417 8.03219 numMergedOcc 0
36 mol 259 unq 7 iso 0 dist 6.8184 6.42725 4.30432 6.09466 9.18435 6.9899 numMergedOcc 0
37 mol 273 unq 0 iso 0 dist 8.65593 8.57501 4.50319 3.84082 10.9632 9.21786 numMergedOcc 0
38 mol 292 unq 0 iso 0 dist 8.35169 7.53641 8.04474 10.0594 5.72473 7.20674 numMergedOcc 0
39 mol 292 unq 1 iso 0 dist 8.35169 7.53641 8.04474 15.5666 12.7549 8.38121 numMergedOcc 0
40 mol 292 unq 2 iso 0 dist 7.7557 7.53641 9.00118 10.0594 12.9195 7.20674 numMergedOcc 0
41 mol 292 unq 3 iso 0 dist 7.7557 7.53641 9.00118 15.5666 16.2478 8.38121 numMergedOcc 0
