0 mol 10 unq 0 iso 0 dist 7.82875 10.5356 6.18431 6.94628 6.77807 7.60549 numMergedOcc 0
1 mol 29 unq 0 iso 0 dist 9.78134 7.29489 9.41017 13.1956 5.99655 9.01071 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 5.95472 9.80375 6.21128 5.75114 7.31718 6.67385 numMergedOcc 0
3 mol 41 unq 1 iso 0 dist 5.95472 9.80375 6.21128 3.70331 5.47447 10.8632 numMergedOcc 0
4 mol 41 unq 2 iso 0 dist 5.95472 11.3535 9.57024 5.75114 7.31718 9.22096 numMergedOcc 0
5 mol 41 unq 3 iso 0 dist 5.95472 11.3535 9.57024 3.70331 5.47447 13.6273 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 7.50377 9.60291 7.98985 6.89433 5.64092 3.99506 numMergedOcc 0
7 mol 68 unq 1 iso 0 dist 7.50377 9.60291 7.98985 11.7176 8.71074 16.2325 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 8.26763 9.40625 9.77084 4.13187 9.04293 5.84075 numMergedOcc 0
9 mol 79 unq 1 iso 0 dist 7.79538 4.39227 8.02443 4.15002 8.18375 6.07693 numMergedOcc 0
10 mol 79 unq 2 iso 0 dist 7.79538 8.32896 9.09458 4.15002 8.18375 5.25584 numMergedOcc 0
11 mol 79 unq 3 iso 0 dist 6.30814 9.40625 6.5551 4.13187 4.78333 5.84075 numMergedOcc 0
12 mol 79 unq 4 iso 0 dist 6.30814 9.40625 6.5551 9.13196 4.74254 5.41884 numMergedOcc 0
13 mol 91 unq 0 iso 0 dist 9.84288 5.06999 8.77355 10.8497 7.71625 12.8723 numMergedOcc 0
14 mol 168 unq 0 iso 0 dist 8.18217 6.6467 9.85438 3.60864 7.0961 7.27069 numMergedOcc 0
15 mol 168 unq 1 iso 0 dist 8.18217 6.6467 9.85438 7.08284 8.26768 4.51252 numMergedOcc 0
16 mol 168 unq 2 iso 0 dist 5.51167 6.6467 9.42807 3.60864 8.21227 7.27069 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 6.84679 9.12063 6.88127 5.28021 9.34653 13.2309 numMergedOcc 0
18 mol 198 unq 0 iso 0 dist 9.40433 11.7342 8.63279 10.3365 9.75417 5.93733 numMergedOcc 0
19 mol 218 unq 0 iso 0 dist 9.70462 14.1084 8.57119 10.7878 6.17843 3.9534 numMergedOcc 0
20 mol 218 unq 1 iso 0 dist 9.70462 14.1084 8.57119 9.19561 8.52772 9.18287 numMergedOcc 0
21 mol 222 unq 0 iso 0 dist 7.99441 4.07008 8.43195 5.63584 8.88902 3.98604 numMergedOcc 0
22 mol 224 unq 0 iso 0 dist 7.71863 9.64482 7.30592 4.8207 7.98132 12.5391 numMergedOcc 0
23 mol 224 unq 1 iso 0 dist 7.71863 9.64482 7.30592 5.77577 7.99036 13.1055 numMergedOcc 0
24 mol 224 unq 2 iso 0 dist 7.71863 4.86001 9.46687 4.8207 7.98132 9.61316 numMergedOcc 0
25 mol 224 unq 3 iso 0 dist 7.71863 4.86001 9.46687 5.77577 7.99036 8.81276 numMergedOcc 0
26 mol 282 unq 0 iso 0 dist 8.66659 13.1985 9.38222 4.32276 9.06947 10.2578 numMergedOcc 0
