0 mol 28 unq 0 iso 0 dist 9.00593 10.1165 5.32719 8.01073 9.72965 8.0641 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 9.00593 10.1165 5.32719 8.57321 5.63315 10.6532 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 9.00593 10.1165 5.32719 11.0203 9.8465 12.9204 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 9.00593 5.00029 7.03702 8.01073 9.72965 5.53358 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 9.00593 5.00029 7.03702 8.57321 5.63315 9.79971 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 9.00593 5.00029 7.03702 11.0203 9.8465 11.7809 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 6.53468 12.6627 8.39494 12.2874 8.58543 9.06936 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 5.90954 5.98483 8.39494 7.81776 8.58543 9.06936 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 8.42713 9.45097 8.16531 8.02579 5.51624 4.55916 numMergedOcc 0
9 mol 93 unq 1 iso 0 dist 8.42713 9.45097 8.16531 12.3147 7.8674 15.9068 numMergedOcc 0
10 mol 93 unq 2 iso 0 dist 8.42713 16.4676 8.98593 8.02579 5.51624 13.8162 numMergedOcc 0
11 mol 93 unq 3 iso 0 dist 8.42713 16.4676 8.98593 12.3147 7.8674 8.93352 numMergedOcc 0
12 mol 93 unq 4 iso 0 dist 8.21032 13.7524 8.16531 12.1011 5.51624 4.55916 numMergedOcc 0
13 mol 93 unq 5 iso 0 dist 8.21032 13.7524 8.16531 9.97789 7.8674 15.9068 numMergedOcc 0
14 mol 93 unq 6 iso 0 dist 8.21032 4.07972 8.98593 12.1011 5.51624 13.8162 numMergedOcc 0
15 mol 93 unq 7 iso 0 dist 8.21032 4.07972 8.98593 9.97789 7.8674 8.93352 numMergedOcc 0
16 mol 109 unq 0 iso 0 dist 8.78681 3.87295 8.80233 3.95956 5.46988 5.71872 numMergedOcc 0
17 mol 154 unq 0 iso 0 dist 9.2042 3.82471 7.00443 15.6002 9.14458 11.9449 numMergedOcc 0
18 mol 162 unq 0 iso 0 dist 8.48559 10.676 8.6792 5.61836 8.53374 12.783 numMergedOcc 0
19 mol 171 unq 0 iso 0 dist 6.69054 5.88863 5.14185 9.6968 9.75627 9.27839 numMergedOcc 0
20 mol 175 unq 0 iso 0 dist 9.08628 16.2259 9.02096 14.8387 7.32419 9.412 numMergedOcc 0
21 mol 175 unq 1 iso 0 dist 9.08628 16.2259 9.02096 11.9554 8.31961 11.9733 numMergedOcc 0
22 mol 175 unq 2 iso 0 dist 8.35581 8.07962 9.02096 13.6171 7.32419 9.412 numMergedOcc 0
23 mol 175 unq 3 iso 0 dist 8.35581 8.07962 9.02096 13.6238 8.31961 11.9733 numMergedOcc 0
24 mol 175 unq 4 iso 0 dist 6.72569 5.22715 9.02096 10.2269 7.32419 9.412 numMergedOcc 0
25 mol 175 unq 5 iso 0 dist 6.72569 5.22715 9.02096 10.4606 8.31961 11.9733 numMergedOcc 0
26 mol 218 unq 0 iso 0 dist 9.6309 8.60676 5.8679 6.2347 9.06334 11.3148 numMergedOcc 0
27 mol 235 unq 0 iso 0 dist 9.77502 17.5461 9.49829 14.9983 9.81305 5.68592 numMergedOcc 0
28 mol 235 unq 1 iso 0 dist 9.77502 17.5461 9.49829 9.81171 6.89118 10.4991 numMergedOcc 0
29 mol 237 unq 0 iso 0 dist 9.74081 15.929 7.61091 12.7987 9.84466 12.7836 numMergedOcc 0
30 mol 237 unq 1 iso 0 dist 9.74081 15.929 7.61091 5.78318 6.16557 12.1471 numMergedOcc 0
31 mol 237 unq 2 iso 0 dist 9.74081 15.929 7.61091 10.217 5.4813 6.31546 numMergedOcc 0
32 mol 240 unq 0 iso 0 dist 8.44671 12.6329 8.67485 10.128 9.53915 5.48054 numMergedOcc 0
33 mol 250 unq 0 iso 0 dist 9.43554 6.49284 7.78686 15.3306 9.60364 15.9371 numMergedOcc 0
34 mol 250 unq 1 iso 0 dist 9.21681 12.4291 7.78686 14.1113 9.60364 15.9371 numMergedOcc 0
35 mol 258 unq 0 iso 0 dist 8.78354 12.4784 8.35413 6.73942 6.47194 10.2978 numMergedOcc 0
