0 mol 26 unq 0 iso 0 dist 7.34549 8.23892 9.80897 4.76147 8.34347 12.8257 8.64424 4.52042 8.65828 10.9309 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.09068 14.6126 9.80897 6.30129 8.34347 12.8257 12.3962 4.52042 8.65828 10.9309 numMergedOcc 0
2 mol 26 unq 2 iso 0 dist 9.72289 17.2928 9.80897 5.93227 8.34347 12.8257 13.407 4.52042 8.65828 10.9309 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.47617 11.3388 8.03754 15.1595 8.80331 14.0204 15.4702 9.69698 7.67459 15.7652 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.47617 11.3388 8.03754 8.14351 6.20293 13.1056 15.4702 9.69698 7.67459 15.8918 numMergedOcc 0
5 mol 75 unq 0 iso 0 dist 8.64872 9.39059 6.96759 10.4239 7.79912 13.8905 11.7521 9.14798 7.93145 16.1633 numMergedOcc 0
6 mol 75 unq 1 iso 0 dist 8.64872 9.39059 6.96759 12.0967 8.56639 12.899 11.7521 9.14798 7.93145 17.6145 numMergedOcc 0
7 mol 75 unq 2 iso 0 dist 8.64872 9.39059 6.96759 9.60759 8.59017 8.41332 11.7521 9.14798 7.93145 15.3522 numMergedOcc 0
8 mol 129 unq 0 iso 0 dist 6.47346 3.86284 6.42706 6.90896 5.83384 5.12351 10.2237 6.65856 7.26325 6.23966 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 8.94909 6.14253 9.47554 8.76089 7.11802 5.34829 7.55581 14.5299 5.92836 10.1767 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 8.94909 6.14253 9.47554 6.80087 8.00618 9.67676 7.55581 14.5299 5.92836 11.6202 numMergedOcc 0
11 mol 152 unq 0 iso 0 dist 9.0847 13.0972 8.41774 14.8573 8.56324 13.1435 16.6493 9.50073 9.27341 15.3848 numMergedOcc 0
12 mol 152 unq 1 iso 0 dist 9.0847 13.0972 8.41774 8.41711 6.70283 13.793 16.6493 9.50073 9.27341 16.0753 numMergedOcc 0
13 mol 152 unq 2 iso 0 dist 9.0847 13.0972 8.41774 4.82496 7.16148 11.2124 16.6493 9.50073 9.27341 16.0158 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 6.20646 12.7269 9.44947 5.21426 7.10633 10.5243 20.1278 15.0515 9.23669 18.9597 numMergedOcc 0
15 mol 204 unq 1 iso 0 dist 6.20646 12.7269 9.44947 8.35604 8.51516 10.2677 20.1278 15.0515 9.23669 15.8109 numMergedOcc 0
16 mol 204 unq 2 iso 0 dist 6.73266 7.03981 9.44947 5.57112 7.10633 10.5243 14.613 15.0515 9.23669 18.9597 numMergedOcc 0
17 mol 204 unq 3 iso 0 dist 6.73266 7.03981 9.44947 12.1292 8.51516 10.2677 14.613 15.0515 9.23669 15.8109 numMergedOcc 0
18 mol 224 unq 0 iso 0 dist 9.61379 8.96279 7.49783 9.57016 8.95269 12.8561 11.6333 11.9904 8.96263 10.9817 numMergedOcc 0
19 mol 229 unq 0 iso 0 dist 8.52933 5.67229 8.68804 10.568 9.06952 6.36273 10.57 6.23084 6.86281 5.00457 numMergedOcc 0
20 mol 280 unq 0 iso 0 dist 9.0021 7.41099 5.41639 12.6862 6.53701 8.26589 13.7828 8.30978 6.38295 8.80588 numMergedOcc 0
