0 mol 59 unq 0 iso 0 dist 4.67917 8.05508 5.29688 5.38738 8.35477 10.4167 numMergedOcc 0
1 mol 59 unq 1 iso 0 dist 4.67917 9.00229 11.0325 5.38738 8.35477 12.903 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 9.84346 9.23023 7.17843 13.8703 7.32064 6.85523 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 9.84346 9.23023 7.17843 13.4395 5.24136 8.28423 numMergedOcc 0
4 mol 78 unq 2 iso 0 dist 9.84346 9.23023 7.17843 14.488 6.44687 13.3131 numMergedOcc 0
5 mol 78 unq 3 iso 0 dist 9.84346 9.23023 7.17843 11.9719 5.85007 5.77326 numMergedOcc 0
6 mol 78 unq 4 iso 0 dist 9.46472 9.23023 4.4651 13.8703 4.62314 6.85523 numMergedOcc 0
7 mol 78 unq 5 iso 0 dist 9.46472 9.23023 4.4651 13.4395 4.41745 8.28423 numMergedOcc 0
8 mol 78 unq 6 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 81 unq 1 iso 0 dist 5.96486 9.08307 5.65355 7.58448 8.38883 13.9075 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 7.84249 7.53905 4.34071 3.78964 4.77996 5.56994 numMergedOcc 0
12 mol 112 unq 1 iso 0 dist 7.84249 7.15985 11.6091 3.78964 4.77996 9.95699 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 9.64281 8.89481 14.0364 7.09333 6.12348 8.80934 numMergedOcc 0
14 mol 127 unq 0 iso 0 dist 9.16999 9.42513 4.70935 8.71432 8.75894 6.08673 numMergedOcc 0
15 mol 129 unq 0 iso 0 dist 9.0455 9.28278 5.56946 9.05571 8.09774 5.51197 numMergedOcc 0
16 mol 129 unq 1 iso 0 dist 9.0455 8.78082 6.10584 9.05571 8.09774 12.8996 numMergedOcc 0
17 mol 132 unq 0 iso 0 dist 8.883 8.25314 13.3474 10.2751 9.98509 18.201 numMergedOcc 0
18 mol 139 unq 0 iso 0 dist 8.49892 6.34417 5.30274 4.37138 7.02063 5.80789 numMergedOcc 0
19 mol 154 unq 0 iso 0 dist 7.10223 6.23399 5.5065 5.18463 5.06116 8.33439 numMergedOcc 0
20 mol 171 unq 0 iso 0 dist 8.59783 6.07091 9.22906 9.74745 6.76574 13.5 numMergedOcc 0
21 mol 232 unq 0 iso 0 dist 5.29561 9.56029 4.43222 6.05991 9.85909 13.0011 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 7.82564 9.94315 5.65577 3.72761 6.96382 8.923 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 7.82564 9.66555 5.60375 3.68226 7.13727 8.69015 numMergedOcc 0
24 mol 238 unq 2 iso 0 dist 9.51177 8.59074 5.65577 5.17342 6.96382 8.923 numMergedOcc 0
25 mol 238 unq 3 iso 0 dist 9.51177 9.66555 10.42 3.68226 8.56975 8.69015 numMergedOcc 0
26 mol 238 unq 4 iso 0 dist 9.91136 8.67205 5.60375 5.17124 7.13727 8.69015 numMergedOcc 0
27 mol 256 unq 0 iso 0 dist 7.14598 7.67598 6.4717 10.6382 7.23526 12.1713 numMergedOcc 0
28 mol 259 unq 0 iso 0 dist 5.30455 6.42725 5.59901 6.09466 4.95855 6.9899 numMergedOcc 0
29 mol 259 unq 1 iso 0 dist 5.30455 6.42725 5.59901 7.9016 7.72489 10.4017 numMergedOcc 0
30 mol 259 unq 2 iso 0 dist 7.34794 9.54857 5.41945 5.49348 4.95855 5.85442 numMergedOcc 0
31 mol 259 unq 3 iso 0 dist 7.34794 9.54857 5.41945 5.13138 7.72489 6.95511 numMergedOcc 0
32 mol 266 unq 0 iso 0 dist 5.43053 8.12852 4.38226 9.31454 9.29745 13.5582 numMergedOcc 0
33 mol 292 unq 0 iso 0 dist 8.35169 7.53641 8.04474 10.0594 5.72473 7.20674 numMergedOcc 0
