0 mol 119 unq 0 iso 0 dist 8.63517 11.9192 9.70093 3.74723 6.16682 9.85023 numMergedOcc 0
1 mol 119 unq 1 iso 0 dist 8.63517 8.8283 6.69217 3.74723 6.16682 8.84069 numMergedOcc 0
2 mol 154 unq 0 iso 0 dist 9.91244 5.88662 7.74216 7.4198 5.98313 4.55687 numMergedOcc 0
3 mol 157 unq 0 iso 0 dist 9.6597 8.44504 7.02823 15.3351 7.98849 9.13808 numMergedOcc 0
4 mol 157 unq 1 iso 0 dist 9.6597 8.44504 7.02823 12.0542 8.18386 5.40634 numMergedOcc 0
5 mol 157 unq 2 iso 0 dist 9.6597 12.1381 8.97404 15.3351 7.98849 10.308 numMergedOcc 0
6 mol 157 unq 3 iso 0 dist 9.6597 12.1381 8.97404 12.0542 8.18386 10.5879 numMergedOcc 0
7 mol 175 unq 0 iso 0 dist 6.03616 4.358 6.95549 5.85059 9.51506 8.33878 numMergedOcc 0
8 mol 197 unq 0 iso 0 dist 7.09817 13.0113 8.02386 8.31631 9.94521 9.80333 numMergedOcc 0
9 mol 197 unq 1 iso 0 dist 8.63356 5.29309 8.02386 7.95446 9.94521 9.80333 numMergedOcc 0
10 mol 197 unq 2 iso 0 dist 8.37532 4.57437 8.02386 5.38951 9.94521 9.80333 numMergedOcc 0
11 mol 198 unq 0 iso 0 dist 8.45254 9.8549 9.94707 9.26267 9.4861 7.07534 numMergedOcc 0
12 mol 198 unq 1 iso 0 dist 9.63391 6.84902 9.40705 3.58803 9.82049 7.1046 numMergedOcc 0
13 mol 206 unq 0 iso 0 dist 9.24833 14.4831 6.29592 5.84913 9.3174 12.3129 numMergedOcc 0
14 mol 213 unq 0 iso 0 dist 6.02565 12.6498 8.29133 9.59213 8.52247 10.1881 numMergedOcc 0
15 mol 213 unq 1 iso 0 dist 6.02565 11.9201 8.96646 9.59213 8.52247 13.4142 numMergedOcc 0
16 mol 219 unq 0 iso 0 dist 8.37202 5.0241 5.40597 12.8837 6.83121 9.13819 numMergedOcc 0
17 mol 219 unq 1 iso 0 dist 8.37202 4.36122 7.66784 12.8837 6.83121 11.6561 numMergedOcc 0
18 mol 219 unq 2 iso 0 dist 8.37202 14.0703 8.69579 12.8837 6.83121 11.1178 numMergedOcc 0
19 mol 219 unq 3 iso 0 dist 8.37202 13.25 6.71733 12.8837 6.83121 4.72332 numMergedOcc 0
20 mol 219 unq 4 iso 0 dist 9.24406 14.1934 5.40597 8.54055 6.83121 9.13819 numMergedOcc 0
21 mol 219 unq 5 iso 0 dist 9.24406 13.288 7.66784 8.54055 6.83121 11.6561 numMergedOcc 0
22 mol 219 unq 6 iso 0 dist 9.24406 4.95329 8.69579 8.54055 6.83121 11.1178 numMergedOcc 0
23 mol 219 unq 7 iso 0 dist 9.24406 4.26247 6.71733 8.54055 6.83121 4.72332 numMergedOcc 0
24 mol 222 unq 0 iso 0 dist 6.30548 7.21583 6.83371 4.6646 5.79887 10.0028 numMergedOcc 0
25 mol 222 unq 1 iso 0 dist 6.30548 7.21583 6.83371 3.6886 5.27254 5.77706 numMergedOcc 0
26 mol 222 unq 2 iso 0 dist 6.30548 7.21583 6.83371 4.90032 6.05616 8.08444 numMergedOcc 0
27 mol 229 unq 0 iso 0 dist 9.43713 9.29848 7.77578 3.72432 7.8168 6.83765 numMergedOcc 0
28 mol 229 unq 1 iso 0 dist 9.43713 10.7439 7.38552 3.72432 7.8168 7.22525 numMergedOcc 0
29 mol 239 unq 0 iso 0 dist 8.07907 7.97883 5.45139 8.80395 9.50048 10.3 numMergedOcc 0
30 mol 239 unq 1 iso 0 dist 8.07907 12.1813 8.10769 8.80395 9.50048 8.7363 numMergedOcc 0
31 mol 273 unq 0 iso 0 dist 6.66661 6.9795 6.70271 13.457 9.31904 12.2939 numMergedOcc 0
32 mol 273 unq 1 iso 0 dist 6.66661 6.9795 6.70271 3.84082 8.93651 5.75897 numMergedOcc 0
33 mol 273 unq 2 iso 0 dist 6.66661 5.09127 6.08532 13.457 9.31904 9.38086 numMergedOcc 0
34 mol 273 unq 3 iso 0 dist 6.66661 5.09127 6.08532 3.84082 8.93651 6.08661 numMergedOcc 0
35 mol 279 unq 0 iso 0 dist 6.02763 6.19104 6.55783 3.77031 4.81851 6.23218 numMergedOcc 0
