0 mol 29 unq 0 iso 0 dist 9.39717 8.00338 5.99096 4.45723 10.4043 9.2087 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 6.35731 7.12713 3.57198 4.64633 5.53419 3.77542 numMergedOcc 0
2 mol 46 unq 1 iso 0 dist 6.35731 7.12713 3.57198 13.8401 13.1965 9.97314 numMergedOcc 0
3 mol 53 unq 0 iso 0 dist 6.81867 7.03969 5.80365 4.54851 8.19958 8.88512 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 8.95848 5.23167 5.85606 3.89181 9.54145 4.46067 numMergedOcc 0
5 mol 62 unq 1 iso 0 dist 9.15189 7.47607 5.85606 5.72955 9.54145 4.46067 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 8.6701 6.06155 9.11323 7.0652 5.56839 8.71366 numMergedOcc 0
7 mol 93 unq 1 iso 0 dist 6.85457 6.06155 8.52329 7.0652 7.83506 8.71366 numMergedOcc 0
8 mol 107 unq 0 iso 0 dist 8.92347 4.99934 8.49625 10.9097 10.5526 8.88124 numMergedOcc 0
9 mol 107 unq 1 iso 0 dist 8.92347 4.99934 8.49625 4.34186 7.89505 8.19484 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 5.7085 6.38269 6.29259 10.3017 7.40338 5.31126 numMergedOcc 0
11 mol 113 unq 1 iso 0 dist 5.7085 6.38269 6.29259 10.3632 10.4064 4.49669 numMergedOcc 0
12 mol 113 unq 2 iso 0 dist 5.7085 6.38269 6.29259 9.86085 11.5441 6.00221 numMergedOcc 0
13 mol 113 unq 3 iso 0 dist 5.7085 7.11196 7.08122 10.3017 7.40338 7.16619 numMergedOcc 0
14 mol 113 unq 4 iso 0 dist 5.7085 7.11196 7.08122 10.3632 10.4064 5.88896 numMergedOcc 0
15 mol 123 unq 0 iso 0 dist 8.29394 7.49032 4.10526 5.04742 9.42762 8.78115 numMergedOcc 0
16 mol 123 unq 1 iso 0 dist 8.29394 7.49032 4.10526 11.4019 7.30244 8.03692 numMergedOcc 0
17 mol 123 unq 2 iso 0 dist 5.98534 7.04627 4.10526 5.02162 9.42762 8.78115 numMergedOcc 0
18 mol 123 unq 3 iso 0 dist 5.98534 7.04627 4.10526 8.90549 7.30244 8.03692 numMergedOcc 0
19 mol 168 unq 0 iso 0 dist 8.80059 8.47439 3.73181 4.18108 6.12453 5.28353 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 8.96031 7.82717 14.0517 4.32488 11.9462 4.87942 numMergedOcc 0
21 mol 186 unq 1 iso 0 dist 8.96031 8.19926 16.0263 4.32488 11.9462 7.25595 numMergedOcc 0
22 mol 186 unq 2 iso 0 dist 8.96031 8.19926 16.0263 12.1543 20.2681 9.94825 numMergedOcc 0
23 mol 193 unq 0 iso 0 dist 9.58736 9.28442 6.18551 6.06113 10.5666 8.30069 numMergedOcc 0
24 mol 193 unq 1 iso 0 dist 9.58736 9.28442 6.18551 3.45561 11.2244 8.83551 numMergedOcc 0
25 mol 194 unq 0 iso 0 dist 7.27978 9.3032 3.7326 12.2934 8.43182 5.10542 numMergedOcc 0
26 mol 225 unq 0 iso 0 dist 8.65088 7.22151 3.87855 3.64687 10.9182 9.54529 numMergedOcc 0
27 mol 260 unq 0 iso 0 dist 7.23618 7.13397 4.07425 4.38276 9.24869 8.62655 numMergedOcc 0
28 mol 260 unq 1 iso 0 dist 7.23618 5.33278 9.36278 8.90225 12.8322 6.48099 numMergedOcc 0
29 mol 284 unq 0 iso 0 dist 9.95662 5.06373 9.94624 4.16786 9.75958 5.6964 numMergedOcc 0
