0 mol 13 unq 0 iso 0 dist 6.30479 6.72878 3.53348 4.19741 5.4424 4.43066 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 5.9581 8.3224 11.9001 5.06613 7.2159 9.83737 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 5.9581 8.71602 8.01229 5.06613 7.2159 11.0088 numMergedOcc 0
3 mol 30 unq 2 iso 0 dist 5.9581 7.54379 5.53262 5.06613 7.2159 7.51725 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 6.00504 6.75521 7.70908 4.42987 7.75667 10.007 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 6.37408 6.09085 9.2457 9.04231 6.88786 11.4329 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 9.42102 5.91019 4.19129 14.6425 6.36178 10.2763 numMergedOcc 0
7 mol 102 unq 0 iso 0 dist 8.63253 9.16431 7.85919 5.57291 8.07962 12.4296 numMergedOcc 0
8 mol 102 unq 1 iso 0 dist 8.63253 9.16431 7.85919 6.91222 7.58908 10.0443 numMergedOcc 0
9 mol 102 unq 2 iso 0 dist 5.15752 9.16431 5.05224 5.57291 9.54857 12.4296 numMergedOcc 0
10 mol 102 unq 3 iso 0 dist 5.15752 9.16431 5.05224 6.91222 9.32058 10.0443 numMergedOcc 0
11 mol 108 unq 0 iso 0 dist 8.92763 9.57959 4.91593 11.7338 5.52402 9.14068 numMergedOcc 0
12 mol 108 unq 1 iso 0 dist 8.92763 9.57959 4.91593 4.89603 6.79804 7.90433 numMergedOcc 0
13 mol 109 unq 0 iso 0 dist 8.35267 6.62354 7.53568 16.7529 9.79844 13.1362 numMergedOcc 0
14 mol 143 unq 0 iso 0 dist 5.25485 9.11314 7.51335 5.03245 5.46716 10.7112 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 7.21359 9.16579 8.96966 4.40927 9.86348 12.9418 numMergedOcc 0
16 mol 186 unq 1 iso 0 dist 7.21359 8.95209 8.23952 4.40927 9.86348 12.9953 numMergedOcc 0
17 mol 234 unq 0 iso 0 dist 6.35728 8.56943 13.2478 5.18233 4.90407 11.8313 numMergedOcc 0
18 mol 270 unq 0 iso 0 dist 8.0831 9.97694 13.9302 8.5694 6.72681 15.0069 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 8.88613 9.61255 7.5856 9.25555 8.15217 10.6579 numMergedOcc 0
20 mol 274 unq 1 iso 0 dist 8.88613 7.64703 14.7957 9.25555 8.15217 16.8313 numMergedOcc 0
