0 mol 25 unq 0 iso 0 dist 9.46319 4.32034 8.00738 12.0831 9.95169 10.2758 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 9.10681 13.9294 8.71284 9.67615 5.55479 10.4994 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 6.9327 6.26554 5.81645 5.60618 9.99671 11.0089 numMergedOcc 0
3 mol 44 unq 1 iso 0 dist 6.9327 4.39351 6.75026 5.60618 9.99671 6.6172 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 8.12546 4.28801 9.93628 5.30529 7.39468 5.61827 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 8.12546 4.28801 9.93628 6.60498 5.55714 8.4772 numMergedOcc 0
6 mol 48 unq 2 iso 0 dist 8.12546 4.28801 9.93628 5.58768 9.85287 8.04036 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 6.86463 3.99262 7.80375 15.0117 9.47628 15.2594 numMergedOcc 0
8 mol 116 unq 0 iso 0 dist 6.05736 6.4428 8.89769 11.5373 7.31364 11.0377 numMergedOcc 0
9 mol 116 unq 1 iso 0 dist 8.34007 13.2158 8.89769 4.01797 7.31364 11.0377 numMergedOcc 0
10 mol 184 unq 0 iso 0 dist 8.45309 11.5736 6.65725 15.6229 9.07247 4.67256 numMergedOcc 0
11 mol 220 unq 0 iso 0 dist 7.10646 6.79948 8.06003 4.48277 9.94612 6.82259 numMergedOcc 0
12 mol 243 unq 0 iso 0 dist 6.76938 5.70601 7.74534 9.59336 8.48003 10.2211 numMergedOcc 0
13 mol 243 unq 1 iso 0 dist 6.76938 5.70601 7.74534 5.70397 5.54003 7.64155 numMergedOcc 0
14 mol 243 unq 2 iso 0 dist 6.41279 11.0217 7.74534 8.94826 8.48003 10.2211 numMergedOcc 0
15 mol 243 unq 3 iso 0 dist 6.41279 11.0217 7.74534 5.7044 5.54003 7.64155 numMergedOcc 0
16 mol 279 unq 0 iso 0 dist 5.15432 4.51217 7.10052 9.50243 5.41277 8.8363 numMergedOcc 0
17 mol 279 unq 1 iso 0 dist 8.2375 7.77773 7.10052 10.2744 5.41277 8.8363 numMergedOcc 0
18 mol 279 unq 2 iso 0 dist 9.23951 4.85823 7.10052 9.14765 5.41277 8.8363 numMergedOcc 0
19 mol 280 unq 0 iso 0 dist 7.11605 9.27602 9.55885 9.85019 6.16546 11.2388 numMergedOcc 0
