0 mol 13 unq 0 iso 0 dist 5.4424 11.3605 7.97656 9.44958 6.67016 5.78148 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 9.60995 4.61096 6.80741 12.6638 4.7418 8.63486 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 5.70814 6.8958 6.48625 15.0717 13.5596 8.64015 numMergedOcc 0
3 mol 59 unq 1 iso 0 dist 5.58384 5.85228 6.48625 14.4867 13.5596 8.64015 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 9.78545 14.2026 9.58544 6.53468 5.32605 8.03303 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 9.97998 9.27925 9.58544 5.90954 5.32605 8.03303 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 9.79844 11.8455 6.31633 14.5178 5.70461 8.67766 numMergedOcc 0
7 mol 109 unq 1 iso 0 dist 9.79844 15.9176 7.21115 14.5178 5.70461 8.0831 numMergedOcc 0
8 mol 109 unq 2 iso 0 dist 7.66832 4.93112 9.74643 10.3897 10.6546 8.89913 numMergedOcc 0
9 mol 109 unq 3 iso 0 dist 8.11083 10.5733 9.74643 15.4991 10.6546 8.89913 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 5.28955 10.7421 9.93703 14.6151 11.1498 6.98934 numMergedOcc 0
11 mol 119 unq 1 iso 0 dist 5.28955 10.7421 9.93703 11.5129 7.09096 7.99623 numMergedOcc 0
12 mol 119 unq 2 iso 0 dist 6.67306 8.8283 9.42766 17.3845 16.5854 8.56342 numMergedOcc 0
13 mol 119 unq 3 iso 0 dist 6.67306 8.8283 9.42766 12.3991 9.58167 6.37542 numMergedOcc 0
14 mol 162 unq 0 iso 0 dist 9.51731 6.46702 9.82249 8.48559 5.16577 6.20182 numMergedOcc 0
15 mol 188 unq 0 iso 0 dist 8.48582 4.04545 9.24118 11.8182 11.8438 8.57261 numMergedOcc 0
16 mol 234 unq 0 iso 0 dist 4.90407 5.44171 5.00515 13.8574 10.3269 9.007 numMergedOcc 0
17 mol 235 unq 0 iso 0 dist 6.71398 13.1002 9.71281 9.77502 6.09244 6.39158 numMergedOcc 0
18 mol 235 unq 1 iso 0 dist 6.71398 6.64857 9.2433 9.77502 6.09244 7.75722 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 9.91921 4.7157 9.31417 10.8216 16.0652 7.32982 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 8.20243 4.7157 5.56719 10.8216 11.468 7.32982 numMergedOcc 0
21 mol 257 unq 0 iso 0 dist 8.43067 5.8531 5.36776 10.3165 10.6191 9.95546 numMergedOcc 0
22 mol 257 unq 1 iso 0 dist 7.6127 5.98419 5.36776 14.5048 10.6191 9.95546 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 9.4886 11.9201 5.81927 11.3248 6.31492 8.15467 numMergedOcc 0
24 mol 258 unq 1 iso 0 dist 9.4886 8.27707 6.09782 11.3248 6.31492 9.1925 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 5.22111 5.41945 7.93997 9.30428 13.6686 8.55558 numMergedOcc 0
26 mol 259 unq 1 iso 0 dist 8.53598 10.2837 7.93997 11.6669 13.6686 8.55558 numMergedOcc 0
27 mol 274 unq 0 iso 0 dist 7.62562 15.8929 9.02749 14.8034 7.47773 7.52109 numMergedOcc 0
28 mol 274 unq 1 iso 0 dist 7.62562 15.8929 9.02749 16.9354 9.5741 7.44083 numMergedOcc 0
29 mol 274 unq 2 iso 0 dist 8.26851 4.56913 6.00877 9.97357 12.8903 7.4099 numMergedOcc 0
30 mol 274 unq 3 iso 0 dist 8.14634 4.56913 8.66451 9.97357 16.0267 7.4099 numMergedOcc 0
