0 mol 83 unq 0 iso 0 dist 9.00446 9.02094 5.91009 13.1279 9.64796 9.04648 numMergedOcc 0
1 mol 88 unq 0 iso 0 dist 7.88897 8.38946 6.85867 9.99417 4.20309 5.59846 numMergedOcc 0
2 mol 91 unq 0 iso 0 dist 7.93871 5.20129 5.51406 5.95575 5.75219 7.62621 numMergedOcc 0
3 mol 93 unq 0 iso 0 dist 8.10296 7.74883 7.4518 15.5432 14.4934 8.52947 numMergedOcc 0
4 mol 93 unq 1 iso 0 dist 8.10296 7.74883 7.4518 12.6776 16.0131 8.84466 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 8.23837 13.1071 5.37302 11.6422 5.58964 8.28452 numMergedOcc 0
6 mol 113 unq 1 iso 0 dist 8.23837 13.1071 5.37302 20.3158 12.297 8.44004 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 7.81971 7.32076 6.66022 14.3772 10.6956 7.99121 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 9.34662 11.1028 9.04845 6.20262 8.11294 9.22456 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 9.34662 9.61802 6.72323 6.20262 8.11294 5.7232 numMergedOcc 0
10 mol 146 unq 0 iso 0 dist 8.34596 10.6394 7.13378 12.3013 9.68961 5.3184 numMergedOcc 0
11 mol 169 unq 0 iso 0 dist 8.36806 13.1573 5.51388 12.3277 5.82243 8.56204 numMergedOcc 0
12 mol 197 unq 0 iso 0 dist 9.27079 4.58651 7.40027 11.3074 5.9589 7.91999 numMergedOcc 0
13 mol 253 unq 0 iso 0 dist 9.9453 14.3861 9.34735 20.5482 12.8127 7.02076 numMergedOcc 0
14 mol 253 unq 1 iso 0 dist 5.93986 4.92131 9.34735 11.0722 12.8127 7.02076 numMergedOcc 0
15 mol 268 unq 0 iso 0 dist 7.36234 13.6968 8.6745 13.6643 8.90545 9.7384 numMergedOcc 0
16 mol 268 unq 1 iso 0 dist 9.9425 4.51589 8.6745 7.90656 8.90545 9.7384 numMergedOcc 0
