0 mol 7 unq 0 iso 0 dist 9.8603 9.30196 7.15434 15.8072 8.72114 10.7937 11.4767 6.34041 10.5066 6.14469 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 8.46229 6.21955 9.16444 9.93406 7.32257 5.86578 13.6879 8.50424 10.26 7.35972 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.11056 8.95357 8.20058 11.095 8.60554 13.4836 16.6031 14.012 20.0654 6.72323 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.88413 5.30126 6.22122 10.7087 7.55264 6.63966 11.6272 10.8498 10.2461 6.25843 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 8.88413 5.30126 6.22122 10.7087 7.55264 6.63966 18.0075 10.4337 13.6671 8.88938 numMergedOcc 0
5 mol 91 unq 0 iso 0 dist 9.3931 6.27454 9.00902 5.09984 5.73743 8.07487 13.3355 10.1024 15.3154 8.66165 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 5.9747 11.1108 8.05602 7.43001 6.65501 11.0132 10.9995 7.06961 13.251 6.88901 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 4.50572 9.17639 8.05602 9.5305 6.65501 11.0132 11.1541 7.06961 13.251 6.88901 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 8.89481 4.57112 9.08014 11.2266 8.8822 10.3234 14.3332 7.27193 13.1995 6.6317 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 6.40546 9.90172 7.85527 5.73999 8.99399 7.21894 8.4733 7.45148 8.05937 7.20249 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 6.38163 8.56696 6.23966 7.03404 6.28565 6.47522 12.672 10.7293 15.008 9.73158 numMergedOcc 0
11 mol 129 unq 1 iso 0 dist 6.38163 8.56696 6.23966 7.03404 6.28565 6.47522 11.6466 7.29399 11.0726 7.59327 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 9.58911 7.56512 6.58792 12.0718 6.22122 6.56225 13.2834 6.06566 11.3392 7.32087 numMergedOcc 0
13 mol 181 unq 1 iso 0 dist 9.58911 7.56512 6.58792 12.0718 6.22122 6.56225 15.9008 13.0409 13.656 8.86197 numMergedOcc 0
14 mol 232 unq 0 iso 0 dist 7.70279 5.18593 8.89211 6.36084 8.50102 7.46856 9.41148 6.2188 6.71099 9.78181 numMergedOcc 0
15 mol 232 unq 1 iso 0 dist 7.70279 5.18593 8.89211 6.36084 8.50102 7.46856 7.83422 12.3508 12.8476 9.8664 numMergedOcc 0
16 mol 274 unq 0 iso 0 dist 9.52894 9.82234 8.71129 6.70266 7.1729 4.48276 9.44134 5.71192 11.3455 7.75216 numMergedOcc 0
