0 mol 21 unq 0 iso 0 dist 8.96117 9.79725 7.38586 10.0306 7.3067 8.038 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 9.3613 5.42572 6.72467 12.7078 6.71226 8.82122 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 9.5663 11.197 8.61926 15.9251 10.8544 9.14856 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 7.70037 8.3355 5.29487 9.2309 7.48749 7.78321 numMergedOcc 0
4 mol 69 unq 1 iso 0 dist 7.96207 6.60943 5.29487 13.2463 7.48749 7.78321 numMergedOcc 0
5 mol 88 unq 0 iso 0 dist 8.35786 9.83326 5.92974 13.433 5.27212 7.19209 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 7.40582 10.4931 6.00131 6.17537 5.88809 8.15367 numMergedOcc 0
7 mol 102 unq 0 iso 0 dist 6.7095 6.87786 6.793 5.15752 5.51997 9.50209 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 9.18707 10.0279 8.81198 13.2983 9.42841 5.60716 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 9.18707 10.0279 8.81198 11.5199 5.14617 5.52706 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 7.03253 9.31887 8.98551 18.1461 14.9403 9.31319 numMergedOcc 0
11 mol 140 unq 0 iso 0 dist 7.01323 6.60552 5.40251 9.69499 4.79819 7.79467 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 8.80779 5.57883 9.84953 6.1299 4.62682 5.90772 numMergedOcc 0
13 mol 189 unq 0 iso 0 dist 6.77351 9.17194 9.31713 12.4713 6.53924 9.86267 numMergedOcc 0
14 mol 189 unq 1 iso 0 dist 8.4676 14.0451 9.31713 14.2892 6.53924 9.86267 numMergedOcc 0
15 mol 217 unq 0 iso 0 dist 7.70005 6.84018 7.89936 7.19347 5.21449 9.96798 numMergedOcc 0
16 mol 227 unq 0 iso 0 dist 8.32703 11.0954 9.47836 14.3275 9.98274 9.69775 numMergedOcc 0
17 mol 227 unq 1 iso 0 dist 8.25412 6.32385 9.47836 13.9962 9.98274 9.69775 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 8.05254 5.2578 8.02916 9.13354 5.77898 7.40408 numMergedOcc 0
19 mol 239 unq 1 iso 0 dist 8.05254 5.2578 8.02916 9.90375 10.2178 6.77395 numMergedOcc 0
20 mol 273 unq 0 iso 0 dist 7.29081 9.70951 6.59786 14.2498 10.41 8.41674 numMergedOcc 0
21 mol 273 unq 1 iso 0 dist 7.29081 9.70951 6.59786 8.24507 4.62586 6.8391 numMergedOcc 0
22 mol 273 unq 2 iso 0 dist 7.29081 5.35494 7.96519 8.24507 4.62586 6.06557 numMergedOcc 0
23 mol 278 unq 0 iso 0 dist 7.74708 7.70648 8.56781 5.7099 8.32388 7.76881 numMergedOcc 0
24 mol 278 unq 1 iso 0 dist 6.03414 7.70648 9.95186 5.7099 4.98313 7.76881 numMergedOcc 0
