0 mol 33 unq 0 iso 0 dist 9.76851 7.54108 4.20737 12.7013 7.14232 10.3256 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 9.5915 9.51017 9.35075 9.88291 5.97635 10.4776 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 9.4022 7.5434 4.16711 7.19147 8.09199 5.91259 numMergedOcc 0
3 mol 81 unq 0 iso 0 dist 5.96486 8.9672 4.57548 5.65355 9.08307 9.48146 numMergedOcc 0
4 mol 81 unq 1 iso 0 dist 5.96486 9.80754 8.00722 5.65355 9.08307 14.6954 numMergedOcc 0
5 mol 103 unq 0 iso 0 dist 9.57953 8.75165 10.4989 8.44658 4.99966 11.8191 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 9.0455 6.65878 4.74644 5.56946 9.28278 8.00624 numMergedOcc 0
7 mol 129 unq 1 iso 0 dist 9.0455 6.65878 4.74644 6.10584 8.78082 8.42289 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 7.12336 9.73038 4.98521 5.37072 5.86531 9.47554 numMergedOcc 0
9 mol 139 unq 0 iso 0 dist 8.49892 9.71665 4.19005 5.30274 6.34417 8.96275 numMergedOcc 0
10 mol 154 unq 0 iso 0 dist 7.10223 8.65008 3.82471 5.5065 6.23399 6.36439 numMergedOcc 0
11 mol 155 unq 0 iso 0 dist 6.91762 9.25488 9.37545 5.01007 4.44292 11.8217 numMergedOcc 0
12 mol 155 unq 1 iso 0 dist 6.91762 8.02356 5.49557 5.01007 4.44292 8.57712 numMergedOcc 0
13 mol 163 unq 0 iso 0 dist 9.04757 9.24754 9.20952 4.12904 9.63873 8.32426 numMergedOcc 0
14 mol 180 unq 0 iso 0 dist 8.39718 9.01553 3.90063 4.28574 7.1027 7.71517 numMergedOcc 0
15 mol 187 unq 0 iso 0 dist 7.81168 7.87608 4.75665 12.368 9.36086 12.7503 numMergedOcc 0
16 mol 232 unq 0 iso 0 dist 5.29561 9.84479 11.4949 4.43222 9.56029 10.5785 numMergedOcc 0
17 mol 232 unq 1 iso 0 dist 5.29561 9.82645 11.8349 4.43222 9.56029 10.8569 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 7.82564 5.83514 5.64173 5.65577 9.94315 4.80834 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 9.51177 5.83514 4.11566 5.65577 8.59074 4.80834 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 5.30455 8.93518 4.95084 8.70769 9.12507 13.8546 numMergedOcc 0
21 mol 273 unq 0 iso 0 dist 8.65593 9.20043 4.23758 4.50319 8.57501 10.218 numMergedOcc 0
