0 mol 100 unq 0 iso 0 dist 9.91446 9.26343 13.8729 7.39527 4.76815 14.448 10.728 18.9856 7.38135 17.8704 numMergedOcc 0
1 mol 114 unq 0 iso 0 dist 6.06543 5.87387 5.59517 6.2394 7.52743 8.71128 10.6075 10.0237 6.84011 9.23527 numMergedOcc 0
2 mol 141 unq 0 iso 0 dist 4.93035 9.75558 6.21253 6.70767 6.93652 11.8898 9.62363 11.0743 9.97343 13.2993 numMergedOcc 0
3 mol 156 unq 0 iso 0 dist 7.39961 7.80643 5.76755 5.58352 8.47155 9.36805 11.7605 13.5699 9.44367 10.143 numMergedOcc 0
4 mol 156 unq 1 iso 0 dist 7.39961 7.80643 5.76755 5.58352 8.47155 9.36805 5.95655 6.30021 9.47433 10.0003 numMergedOcc 0
5 mol 156 unq 2 iso 0 dist 7.80643 7.39961 5.76755 5.58352 9.36805 8.47155 5.95655 9.47433 6.30021 10.0003 numMergedOcc 0
6 mol 181 unq 0 iso 0 dist 6.96824 9.25528 11.9017 5.54495 6.93764 14.5723 15.4597 14.7352 8.90963 19.7006 numMergedOcc 0
7 mol 181 unq 1 iso 0 dist 9.25528 6.96824 11.9017 14.3955 6.94688 15.7174 4.75774 11.602 5.9176 14.7851 numMergedOcc 0
8 mol 181 unq 2 iso 0 dist 9.25528 6.96824 11.9017 14.3955 6.94688 15.7174 9.91956 17.1805 6.41453 21.8753 numMergedOcc 0
9 mol 181 unq 3 iso 0 dist 9.25528 6.96824 11.9017 15.6271 6.71012 16.3976 4.75774 11.602 5.9176 17.0721 numMergedOcc 0
10 mol 181 unq 4 iso 0 dist 9.25528 6.96824 11.9017 15.6271 6.71012 16.3976 9.91956 17.1805 6.41453 22.2369 numMergedOcc 0
11 mol 204 unq 0 iso 0 dist 7.92766 6.32652 12.5143 13.2566 5.90931 16.9866 7.65133 14.1279 9.1458 18.2263 numMergedOcc 0
12 mol 213 unq 0 iso 0 dist 6.82185 6.82881 5.45334 10.693 6.0965 11.5105 5.50169 7.73322 8.14332 10.5013 numMergedOcc 0
13 mol 213 unq 1 iso 0 dist 6.82185 6.82881 5.45334 12.9129 9.59129 13.8919 5.50169 7.73322 8.14332 9.93085 numMergedOcc 0
14 mol 218 unq 0 iso 0 dist 6.22077 5.52981 7.83217 6.21463 9.50586 9.29802 5.3192 10.8165 6.1951 5.86772 numMergedOcc 0
15 mol 218 unq 1 iso 0 dist 6.22077 5.52981 7.83217 6.48676 7.13323 7.17547 5.3192 10.8165 6.1951 7.21048 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 7.2527 7.13194 10.0191 14.0776 9.90142 10.7386 10.0472 7.57812 9.24557 10.3147 numMergedOcc 0
17 mol 238 unq 1 iso 0 dist 7.13194 7.2527 10.0191 14.751 9.29858 12.5477 10.0472 9.24557 7.57812 10.3809 numMergedOcc 0
18 mol 238 unq 2 iso 0 dist 7.13194 7.2527 10.0191 14.751 9.29858 12.5477 10.0651 12.9364 8.69104 16.4621 numMergedOcc 0
19 mol 238 unq 3 iso 0 dist 9.29203 7.80166 10.0191 11.091 9.90142 10.7386 13.6806 7.57812 9.24557 10.3147 numMergedOcc 0
20 mol 238 unq 4 iso 0 dist 7.62771 9.29203 5.40359 12.4266 9.68513 12.5477 13.6806 10.1217 7.57812 10.3809 numMergedOcc 0
21 mol 238 unq 5 iso 0 dist 7.62771 9.29203 5.40359 12.4266 9.68513 12.5477 16.2617 13.492 8.69104 16.4621 numMergedOcc 0
22 mol 238 unq 6 iso 0 dist 7.62771 9.29203 5.40359 11.091 5.9216 9.90142 13.6806 10.1217 7.57812 10.3147 numMergedOcc 0
23 mol 238 unq 7 iso 0 dist 7.62771 9.29203 5.40359 11.091 5.9216 9.90142 16.2617 13.492 8.69104 15.6823 numMergedOcc 0
24 mol 238 unq 8 iso 0 dist 7.62771 7.80166 10.1648 12.4266 9.68513 9.29858 13.6806 10.1217 9.24557 10.3809 numMergedOcc 0
25 mol 238 unq 9 iso 0 dist 7.62771 7.80166 10.1648 11.091 5.9216 10.7386 13.6806 10.1217 9.24557 10.3147 numMergedOcc 0
26 mol 238 unq 10 iso 0 dist 7.80166 9.29203 10.0191 12.4266 9.29858 12.5477 13.6806 9.24557 7.57812 10.3809 numMergedOcc 0
27 mol 238 unq 11 iso 0 dist 7.80166 9.29203 10.0191 12.4266 9.29858 12.5477 16.2617 12.9364 8.69104 16.4621 numMergedOcc 0
28 mol 249 unq 0 iso 0 dist 6.93507 6.42827 8.34718 5.63238 8.96876 8.83735 5.74889 10.0024 5.48118 10.639 numMergedOcc 0
29 mol 284 unq 0 iso 0 dist 9.26573 9.27402 5.87439 13.5055 8.41504 10.0956 15.7062 7.8343 9.33437 5.39591 numMergedOcc 0
