0 mol 0 unq 0 iso 0 dist 9.23213 6.40255 6.15923 15.3236 14.2251 9.99338 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.23213 6.40255 6.15923 9.6994 5.08793 8.13129 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 9.23213 6.40255 6.15923 7.15528 10.4498 9.07223 numMergedOcc 0
3 mol 15 unq 0 iso 0 dist 9.29358 14.8121 9.85515 9.88835 6.29685 7.876 numMergedOcc 0
4 mol 15 unq 1 iso 0 dist 9.29358 14.8121 9.85515 14.206 11.2052 8.63502 numMergedOcc 0
5 mol 15 unq 2 iso 0 dist 8.21493 5.88545 9.90484 8.38064 5.90976 7.876 numMergedOcc 0
6 mol 15 unq 3 iso 0 dist 8.21493 5.88545 9.90484 10.4158 5.51916 8.63502 numMergedOcc 0
7 mol 15 unq 4 iso 0 dist 7.12903 8.20465 9.90484 9.97507 5.90976 7.876 numMergedOcc 0
8 mol 15 unq 5 iso 0 dist 7.12903 8.20465 9.90484 6.82505 5.51916 8.63502 numMergedOcc 0
9 mol 54 unq 0 iso 0 dist 5.02241 8.17454 9.34242 9.5589 6.91765 7.56581 numMergedOcc 0
10 mol 54 unq 1 iso 0 dist 5.02241 8.17454 9.34242 6.83299 5.06052 9.22021 numMergedOcc 0
11 mol 88 unq 0 iso 0 dist 9.2603 9.75156 8.39494 16.8013 14.5201 9.30559 numMergedOcc 0
12 mol 88 unq 1 iso 0 dist 9.2603 9.75156 8.39494 10.3436 4.37348 5.96359 numMergedOcc 0
13 mol 88 unq 2 iso 0 dist 9.2603 9.75156 8.39494 14.8211 7.82202 7.48974 numMergedOcc 0
14 mol 88 unq 3 iso 0 dist 9.2603 9.75156 8.39494 17.4713 12.3499 8.40428 numMergedOcc 0
15 mol 88 unq 4 iso 0 dist 9.2603 6.81076 8.01572 9.36773 6.95868 6.066 numMergedOcc 0
16 mol 88 unq 5 iso 0 dist 9.2603 6.81076 8.01572 8.31336 6.97239 9.36032 numMergedOcc 0
17 mol 88 unq 6 iso 0 dist 9.2603 6.81076 8.01572 10.3436 4.37348 8.3592 numMergedOcc 0
18 mol 100 unq 0 iso 0 dist 6.58204 6.35939 6.60772 9.35224 5.69137 7.5951 numMergedOcc 0
19 mol 100 unq 1 iso 0 dist 7.75343 4.46114 6.60772 6.56369 5.69137 7.5951 numMergedOcc 0
20 mol 127 unq 0 iso 0 dist 9.81878 10.7123 6.11979 9.30299 4.77464 5.72373 numMergedOcc 0
21 mol 127 unq 1 iso 0 dist 9.81878 10.7123 6.11979 14.7391 7.11695 7.20988 numMergedOcc 0
22 mol 175 unq 0 iso 0 dist 9.52634 5.32538 9.37196 9.29945 9.11521 6.95549 numMergedOcc 0
23 mol 194 unq 0 iso 0 dist 6.47873 12.9377 9.61634 14.0836 8.64937 7.61316 numMergedOcc 0
24 mol 194 unq 1 iso 0 dist 8.38695 16.5172 9.61634 16.6299 8.64937 7.61316 numMergedOcc 0
25 mol 213 unq 0 iso 0 dist 6.68292 5.19385 5.18463 12.9274 12.2579 8.29133 numMergedOcc 0
26 mol 213 unq 1 iso 0 dist 6.68292 5.19385 5.18463 13.1092 13.2686 8.96646 numMergedOcc 0
27 mol 213 unq 2 iso 0 dist 4.26212 5.19385 7.06118 12.9274 15.28 8.29133 numMergedOcc 0
28 mol 213 unq 3 iso 0 dist 4.26212 5.19385 7.06118 13.1092 15.6315 8.96646 numMergedOcc 0
29 mol 234 unq 0 iso 0 dist 9.5707 13.6071 6.55256 10.3625 5.9221 7.27632 numMergedOcc 0
30 mol 234 unq 1 iso 0 dist 6.16063 13.1319 9.76304 13.3467 10.6156 7.72403 numMergedOcc 0
31 mol 234 unq 2 iso 0 dist 6.16063 13.1319 9.76304 10.3625 5.56749 6.35438 numMergedOcc 0
32 mol 234 unq 3 iso 0 dist 6.16063 13.1319 9.76304 11.0622 8.0608 9.57132 numMergedOcc 0
33 mol 239 unq 0 iso 0 dist 7.20082 6.0356 9.95624 14.617 15.8644 9.1242 numMergedOcc 0
34 mol 239 unq 1 iso 0 dist 7.20082 6.0356 9.95624 11.2531 9.9012 7.61762 numMergedOcc 0
35 mol 248 unq 0 iso 0 dist 6.07192 5.41499 8.79594 7.21521 5.51827 9.12664 numMergedOcc 0
36 mol 248 unq 1 iso 0 dist 6.07192 5.41499 8.79594 8.2965 9.29921 6.51383 numMergedOcc 0
37 mol 270 unq 0 iso 0 dist 8.25349 13.773 8.99244 14.0862 5.92046 8.34847 numMergedOcc 0
38 mol 270 unq 1 iso 0 dist 8.25349 13.773 8.99244 21.7097 15.1125 9.73905 numMergedOcc 0
39 mol 274 unq 0 iso 0 dist 7.97444 5.66046 6.44447 8.49997 6.8406 6.93875 numMergedOcc 0
