0 mol 5 unq 0 iso 0 dist 5.14917 9.05414 5.13643 9.57274 8.88048 13.658 4.34873 6.77563 10.8121 9.72215 numMergedOcc 0
1 mol 67 unq 0 iso 0 dist 8.34804 8.39857 14.8076 10.7182 8.27009 18.2418 16.4344 8.64208 22.9686 13.0612 numMergedOcc 0
2 mol 67 unq 1 iso 0 dist 8.34804 8.39857 14.8076 10.7182 8.27009 18.2418 11.9474 7.9572 19.6241 10.6864 numMergedOcc 0
3 mol 67 unq 2 iso 0 dist 8.34804 8.39857 14.8076 5.66613 5.80736 13.7019 16.4344 8.64208 22.9686 11.8891 numMergedOcc 0
4 mol 67 unq 3 iso 0 dist 8.34804 8.39857 14.8076 5.66613 5.80736 13.7019 11.9474 7.9572 19.6241 6.3173 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 5.01269 9.48694 5.55073 6.65104 9.23104 14.3232 6.49846 5.97805 10.9145 4.80228 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 8.61448 5.84909 8.13581 13.8877 8.76088 16.1477 10.1805 8.96061 12.3814 8.99025 numMergedOcc 0
7 mol 236 unq 0 iso 0 dist 8.20542 9.51001 13.8826 4.60599 8.63249 13.7761 11.2013 9.97357 9.13551 13.6195 numMergedOcc 0
8 mol 236 unq 1 iso 0 dist 8.20542 9.51001 13.8826 4.60599 8.63249 13.7761 4.15973 6.36941 7.87233 7.45579 numMergedOcc 0
9 mol 258 unq 0 iso 0 dist 9.17911 5.9223 14.8337 15.4705 8.10903 20.5145 9.07364 9.67877 11.1621 13.3533 numMergedOcc 0
10 mol 258 unq 1 iso 0 dist 9.17911 5.9223 14.8337 15.4705 8.10903 20.5145 17.1229 8.81059 22.8449 5.90131 numMergedOcc 0
11 mol 258 unq 2 iso 0 dist 9.17911 5.9223 14.8337 15.4705 8.10903 20.5145 15.539 9.12006 21.327 9.68064 numMergedOcc 0
12 mol 258 unq 3 iso 0 dist 9.17911 5.9223 14.8337 13.8539 7.25618 19.3656 9.07364 9.67877 11.1621 15.0574 numMergedOcc 0
13 mol 258 unq 4 iso 0 dist 9.17911 5.9223 14.8337 13.8539 7.25618 19.3656 17.1229 8.81059 22.8449 4.51422 numMergedOcc 0
14 mol 258 unq 5 iso 0 dist 9.17911 5.9223 14.8337 13.8539 7.25618 19.3656 15.539 9.12006 21.327 4.99997 numMergedOcc 0
15 mol 274 unq 0 iso 0 dist 6.28023 7.8547 6.75848 5.02003 9.34051 10.5453 4.4049 9.81087 8.41236 7.24261 numMergedOcc 0
16 mol 276 unq 0 iso 0 dist 9.5388 7.73676 4.6652 17.4715 9.87655 14.1029 10.8564 8.95876 12.1674 11.5806 numMergedOcc 0
17 mol 276 unq 1 iso 0 dist 9.5388 7.73676 4.6652 17.4715 9.87655 14.1029 12.2055 8.259 11.4689 6.7181 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 7.47179 9.38187 10.1749 6.53276 6.45597 12.9982 11.3154 7.13655 15.4843 5.37435 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 7.47179 9.38187 10.1749 6.53276 6.45597 12.9982 11.3154 7.13655 15.4843 5.37435 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 7.47179 9.38187 10.1749 6.53276 6.45597 12.9982 11.3154 7.13655 15.4843 5.37435 numMergedOcc 0
21 mol 294 unq 0 iso 0 dist 5.71656 9.64435 6.19638 8.43044 9.22572 15.0489 5.57606 8.52208 14.167 4.40208 numMergedOcc 0
